A0A087XGM5_POEFO Loading...

Polycystic kidney disease 1 like 2a

AlphaFold DB , UniProt , Accession A0A087XGM5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,079 aa.

						>A0A087XGM5_POEFO|A0A087XGM5
IDMLLQTFILLWISYGHLSLTEKCETCPDGDLTASCEFVWQDVCLEFVEESKTWYQARSSCKERGGKLLNVLNSPIQMFLSNTTREKNTSSFTWWVEKGFQAHHRDPSPKKGEALKELCTYMKLNPPRLLTSDCSKRRGFLCTHNLQVRYKSHSKWTKRDLSDLDQMIQNVNDITGLLTKAEESLTYMETMAGEPSIENRNKFIEYLLKGTKILNVKFARNNPATIDSIIKCSNAMLRLAVQECDFDYNQNKQFFDNVLELIKTASLLLVYDTPRVTRTPLGSVITSAYKPEELGNAVLGSQEDGGFVKLPSFSAMQSTIGKYENVIAQMATFSINPYPSANISGNICNFILSDGKSEIKLENLSEMVEIFLDRRNNSALTSSTVVLTKDTKSVSQINVSDTEMTILFNVEPSINVTLAVFLSYESPPNSTYFHNSTILSHSEDYRWLITPEMLRNTSGAWYVEVRLVNFTLETEVTLNINTYLTRCLYWHIENEEWSDKGCRVGEKSTPELTHCLCNHLTLFGSSFFVMPNYVDVSRTAELFATVNENYVVLALLCAFYGLYLVTLLWACYADRRASSKRKITLLEDNHPGTHYNYLIGIQTGHRRGAGTSANVTVKLIGTEAESTIHTLTDPEKPVFERGSFDMFLLSTPYPLGELKNLRLQHDNSGGHPSWYVSKVTIQDLQNKNVWHFFCNCWLSSDQGDGMTKKTFNSAKSNEIASFRNIFQSRTSTGFRDEHIWVSIVDPPSRSPFTRAQRVSCCMSLLLCTMAINIAFWNIPVDPNSAVVVSIGSLQMTWQDIMVGVQSGLLMFPINILIITIFRSIRPRIVSKSKNDDPDEIFKPPAVSIPTVLNETEKMISLVSMNPRNKMPEVLKLEASYDLVPALDRLHIFIQHMQGESESDNHWVYCSKFLLAGLCHLHMNLEKLDAKNFSCLEEYQRVLNTTNLLVRKAEMVFSSHLSNCPAPVRKKKKTPTGVKLPWWCVFIGWFLLLSISGISTYFTLLYGFQYGKEKSIKWVMSLGLSLFESIFILQPLKVIGVAVFFALLLKPVAVEETEEAAQVLLEQQDRCRRYTGRDVL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	I	40.3	Very low	32.6	Very low	197 Å²	197	130.9 Å²	130.9	100%	1.01	67%	0.666	S	S	*	*				0	-35.9	0	-68.5	169	0	0	0	111.1
2	D	28.8	Very low	32.5	Very low	131 Å²	131	139.4 Å²	139.4	70%	0.701	68%	0.684	S	S	*	*	H	α-helix	trans	-72.2	-24.4	175.7	-75.8	-41.6	0	0	0	116.5	Q6	D2-Q6 PolarHBondContact O-N 3.18Å
3	M	26.6	Very low	32.3	Very low	149 Å²	149	139.5 Å²	139.5	73%	0.734	69%	0.687	S	S	*	*	H	α-helix	trans	-76.7	-28.8	179.8	-126.1	-165.6	100.4	0	0	113.9	T7	M3-T7 PolarHBondContact O-N 3.16Å; M3-T7 PolarHBondContact O-OG1 3.03Å
4	L	32.3	Very low	32	Very low	125 Å²	125	135.6 Å²	135.6	65%	0.654	68%	0.681	S	S	*	*	H	α-helix	trans	-77.9	-23.7	177.5	-98.8	154.9	0	0	0	112.3	T7	L4-T7 PolarHBondContact O-OG1 3.04Å; L4-T7 VanDerWaalsContact O-OG1 3.07Å
5	L	31.7	Very low	32	Very low	112 Å²	112	141 Å²	141	59%	0.586	69%	0.692	S	S	*	*	H	α-helix	trans	-81.4	-32.3	177.4	-153.7	75.8	0	0	0	111.6	I9	L5-I9 HydrophobicContact CG-CD1 4.48Å; L5-I9 WeakPolarHBondContact O-CD1 3.4Å; L5-I9 VanDerWaalsContact O-CG1 3.29Å; L5-I9 WeakPolarHBondContact O-CG1 3.16Å; L5-I9 PolarHBondContact O-N 3.24Å
6	Q	30.4	Very low	31.9	Very low	132 Å²	132	136.6 Å²	136.6	62%	0.617	69%	0.694	S	S	*	*	H	α-helix	trans	-73.3	-33.6	175.9	-81.9	-177.6	-24.5	0	0	113.2	D2 I9 L10	D2-Q6 PolarHBondContact O-N 3.18Å; Q6-I9 PolarHBondContact O-N 3.44Å; Q6-L10 PolarHBondContact O-N 3.2Å; Q6-L10 VanDerWaalsContact O-N 3.14Å
7	T	36.1	Very low	31.7	Very low	68 Å²	68	139.4 Å²	139.4	42%	0.417	70%	0.703	S	S	.	*	H	α-helix	trans	-68.4	-35.4	176	47.4	0	0	0	0	112.3	M3 L4 L11	M3-T7 PolarHBondContact O-N 3.16Å; M3-T7 PolarHBondContact O-OG1 3.03Å; L4-T7 PolarHBondContact O-OG1 3.04Å; L4-T7 VanDerWaalsContact O-OG1 3.07Å; T7-L11 PolarHBondContact O-N 2.95Å
8	F	35.3	Very low	31.5	Very low	157 Å²	157	141.3 Å²	141.3	69%	0.689	72%	0.715	S	S	*	*	H	α-helix	trans	-71.5	-28.1	175.9	-99.2	-85.8	0	0	0	113.9
9	I	33.4	Very low	31.1	Very low	98 Å²	98	139.3 Å²	139.3	50%	0.503	72%	0.715	S	S	.	*	H	α-helix	trans	-83.4	-32.4	179.8	-65.8	167.6	0	0	0	111.5	L5 Q6 W12	L5-I9 HydrophobicContact CG-CD1 4.48Å; L5-I9 WeakPolarHBondContact O-CD1 3.4Å; L5-I9 VanDerWaalsContact O-CG1 3.29Å; L5-I9 WeakPolarHBondContact O-CG1 3.16Å; L5-I9 PolarHBondContact O-N 3.24Å; Q6-I9 PolarHBondContact O-N 3.44Å; I9-W12 PolarHBondContact O-N 3.39Å
10	L	30.2	Very low	31.3	Very low	131 Å²	131	140.8 Å²	140.8	69%	0.686	72%	0.724	S	S	*	*	H	α-helix	trans	-71.1	-27.9	176	-86.7	155.8	0	0	0	113.2	Q6 W12 S14	Q6-L10 PolarHBondContact O-N 3.2Å; Q6-L10 VanDerWaalsContact O-N 3.14Å; L10-W12 PolarHBondContact O-N 3Å; L10-S14 PolarHBondContact O-OG 2.97Å
11	L	33.7	Very low	31.2	Very low	140 Å²	140	138.5 Å²	138.5	73%	0.733	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-14.1	172.2	-99.4	143.9	0	0	0	113.6	T7	T7-L11 PolarHBondContact O-N 2.95Å
12	W	31	Very low	30.9	Very low	233 Å²	233	137.2 Å²	137.2	88%	0.883	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	-7.5	-175.5	-133.6	55.4	0	0	0	114.4	I9 L10	I9-W12 PolarHBondContact O-N 3.39Å; L10-W12 PolarHBondContact O-N 3Å
13	I	30.7	Very low	31.4	Very low	140 Å²	140	139.3 Å²	139.3	72%	0.718	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.8	-8	-173.4	-62.7	176.9	0	0	0	113.1
14	S	27.5	Very low	32.2	Very low	86 Å²	86	134.3 Å²	134.3	60%	0.601	69%	0.688	S	S	*	*	S	Bend	trans	-100.3	9.6	-171.2	48.9	0	0	0	0	117.2	L10	L10-S14 PolarHBondContact O-OG 2.97Å
15	Y	31.9	Very low	32.8	Very low	216 Å²	216	135.1 Å²	135.1	85%	0.847	69%	0.689	S	S	*	*			trans	-124.6	70.1	174.7	-112.3	-90.2	0	0	0	113.5
16	G	30.6	Very low	33.6	Very low	71 Å²	71	135 Å²	135	73%	0.732	69%	0.692	S	S	*	*			trans	-125.6	84.8	158.7	0	0	0	0	0	109.4
17	H	28.4	Very low	34.3	Very low	183 Å²	183	130 Å²	130	85%	0.847	67%	0.672	S	S	*	*			trans	-143.4	126.4	162.6	-116.7	-68.2	0	0	0	109.9
18	L	28	Very low	34.7	Very low	174 Å²	174	132.3 Å²	132.3	91%	0.911	69%	0.688	S	S	*	*			trans	-61.1	131.5	169.5	-89.4	91.6	0	0	0	110.5
19	S	23.8	Very low	35	Very low	103 Å²	103	133.5 Å²	133.5	72%	0.72	70%	0.702	S	S	*	*			trans	-170.5	131.7	132.8	-178	0	0	0	0	109.6	T21	S19-T21 PolarHBondContact O-N 3.29Å
20	L	35.2	Very low	35.2	Very low	169 Å²	169	131.5 Å²	131.5	89%	0.885	71%	0.705	S	S	*	*			trans	-72.5	109.9	167.5	-121.5	133	0	0	0	108.2
21	T	28.7	Very low	35.6	Very low	93 Å²	93	133.7 Å²	133.7	57%	0.571	72%	0.717	S	S	*	*			trans	-143.4	115.8	150.8	44.7	0	0	0	0	104.9	S19 K23	S19-T21 PolarHBondContact O-N 3.29Å; T21-K23 PolarHBondContact O-N 2.87Å
22	E	35.2	Very low	36.1	Very low	170 Å²	170	132.7 Å²	132.7	79%	0.794	71%	0.712	S	S	*	*			trans	-45.2	112.2	165.8	-76.5	173	156.4	0	0	107	C24	E22-C24 PolarHBondContact O-N 2.88Å
23	K	38	Very low	36.8	Very low	176 Å²	176	128.4 Å²	128.4	77%	0.765	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-64.8	129.6	178.3	-83.9	-178	172	-176.7	0	107	T21 E25	T21-K23 PolarHBondContact O-N 2.87Å; K23-E25 PolarHBondContact O-N 2.76Å; K23-E25 VanDerWaalsContact O-N 3.12Å
24	C	43.8	Very low	37.9	Very low	44 Å²	44	122.1 Å²	122.1	30%	0.297	68%	0.681	S	S	.	*	P	Polyproline II helix	trans	-54.8	116.8	164.8	-55	0	0	0	0	107.6	E22 T26 F38 F79	E22-C24 PolarHBondContact O-N 2.88Å; C24-T26 PolarHBondContact O-N 2.81Å; C24-F38 HydrophobicContact CB-CD1 3.91Å; C24-F79 HydrophobicContact CB-CE2 4.11Å; C24-F79 WeakPolarHBondContact SG-CE2 3.32Å
25	E	44.7	Very low	39.3	Very low	142 Å²	142	121.7 Å²	121.7	66%	0.664	68%	0.678	S	S	*	*	B	Isolated β-bridge	trans	-71.9	119.6	169	-74.6	177.2	166.4	0	0	107.2	K23 V39	K23-E25 PolarHBondContact O-N 2.76Å; K23-E25 VanDerWaalsContact O-N 3.12Å; E25-V39 HydrophobicContact CB-CB 4.39Å; E25-V39 PolarHBondContact O-N 2.9Å
26	T	49.1	Very low	40.8	Very low	108 Å²	108	112.9 Å²	112.9	66%	0.663	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-65.3	134.2	159.8	47	0	0	0	0	107.1	C24	C24-T26 PolarHBondContact O-N 2.81Å
27	C	45	Very low	42.7	Very low	28 Å²	28	111.9 Å²	111.9	19%	0.189	62%	0.624	C	S	.	*	P	Polyproline II helix	trans	-57.3	144	-175	-92.8	0	0	0	0	112.2	D29 C36 V39	C27-D29 PolarHBondContact O-N 3.08Å; C27-C36 HydrophobicContact CB-CB 3.44Å; C27-C36 VanDerWaalsContact CB-CB 3.44Å; C27-C36 WeakPolarHBondContact CB-SG 3.5Å; C27-C36 WeakPolarHBondContact SG-CB 3.39Å; C27-C36 CovalentContact SG-SG 2Å; C27-C36 PolarHBondContact SG-SG 2.78Å; C27-V39 WeakPolarHBondContact SG-CG2 3.14Å
28	P	44.6	Very low	44.9	Very low	117 Å²	117	104 Å²	104	76%	0.76	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-65	127.6	166.1	-7.7	22.5	0	0	0	108.7	G30	P28-G30 PolarHBondContact O-N 2.74Å
29	D	42.1	Very low	46.8	Very low	182 Å²	182	96.7 Å²	96.7	97%	0.973	55%	0.55	S	S	*	.			trans	-59.5	102.9	172.7	-80.5	-41.2	0	0	0	109.5	C27	C27-D29 PolarHBondContact O-N 3.08Å
30	G	37.6	Very low	48.9	Very low	55 Å²	55	93.4 Å²	93.4	57%	0.567	52%	0.522	S	S	*	.			trans	-163.1	96.6	179.5	0	0	0	0	0	111.4	P28 L32	P28-G30 PolarHBondContact O-N 2.74Å; G30-L32 VanDerWaalsContact C-N 3.29Å; G30-L32 PolarHBondContact O-N 2.98Å
31	D	39	Very low	50.3	Low	177 Å²	177	91.5 Å²	91.5	95%	0.947	51%	0.508	S	S	*	.	S	Bend	trans	43.5	27.4	153.2	-92.4	-3.1	0	0	0	120.7
32	L	42.9	Very low	51.9	Low	119 Å²	119	90.4 Å²	90.4	62%	0.623	50%	0.499	S	S	*	.			trans	-92.2	125.9	152.7	-80.8	124.8	0	0	0	108.4	G30 A34	G30-L32 VanDerWaalsContact C-N 3.29Å; G30-L32 PolarHBondContact O-N 2.98Å; L32-A34 PolarHBondContact O-N 3.47Å
33	T	46	Very low	53.4	Low	143 Å²	143	84.3 Å²	84.3	88%	0.877	47%	0.473	S	S	*	.	S	Bend	trans	-64.2	5.3	179	48.9	0	0	0	0	114.5
34	A	53.3	Low	55.2	Low	9 Å²	9	76.1 Å²	76.1	7%	0.074	44%	0.438	C	S	.	.	S	Bend	trans	-123.7	130	179.3	0	0	0	0	0	110.9	L32 C36 R64	L32-A34 PolarHBondContact O-N 3.47Å; A34-C36 PolarHBondContact O-N 3.16Å; A34-R64 HydrophobicContact CB-CB 3.51Å; A34-R64 HydrophobicContact CB-CG 3.82Å; A34-R64 WeakPolarHBondContact CB-O 3.29Å
35	S	57.1	Low	57	Low	76 Å²	76	74.2 Å²	74.2	53%	0.531	43%	0.425	S	S	.	.			trans	-66.8	92.9	-178.7	34.2	0	0	0	0	111.7	E37 E46	S35-E37 PolarHBondContact O-N 3.05Å; S35-E46 WeakPolarHBondContact O-CB 3.3Å; S35-E46 WeakPolarHBondContact O-CG 3.32Å; S35-E46 PolarHBondContact OG-OE1 3.04Å
36	C	63.9	Low	58.8	Low	32 Å²	32	67.6 Å²	67.6	22%	0.216	39%	0.394	C	S	.	.			trans	-64.3	119.3	167.3	167.2	0	0	0	0	110.3	C27 A34 C44	C27-C36 HydrophobicContact CB-CB 3.44Å; C27-C36 VanDerWaalsContact CB-CB 3.44Å; C27-C36 WeakPolarHBondContact CB-SG 3.5Å; C27-C36 WeakPolarHBondContact SG-CB 3.39Å; C27-C36 CovalentContact SG-SG 2Å; C27-C36 PolarHBondContact SG-SG 2.78Å; A34-C36 PolarHBondContact O-N 3.16Å; C36-C44 VanDerWaalsContact CA-SG 3.58Å; C36-C44 HydrophobicContact CB-CB 4.18Å; C36-C44 WeakPolarHBondContact CB-SG 3.49Å; C36-C44 WeakPolarHBondContact SG-CB 3.12Å; C36-C44 PolarHBondContact SG-SG 3.43Å
37	E	70.1	Confident	60.5	Low	50 Å²	50	63 Å²	63	23%	0.234	37%	0.365	C	S	.	.			trans	-90.7	-37.3	178.1	-62.9	-158.8	141.2	0	0	113.2	S35 L45 F47 K87	S35-E37 PolarHBondContact O-N 3.05Å; E37-L45 PolarHBondContact N-O 2.81Å; E37-F47 WeakPolarHBondContact OE2-CB 3.47Å; E37-F47 WeakPolarHBondContact OE2-CD2 3.32Å; E37-K87 IonicContact OE1-NZ 2.78Å; E37-K87 PolarHBondContact OE1-NZ 3.43Å; E37-K87 IonicContact OE2-NZ 3.74Å; E37-K87 PolarHBondContact OE2-NZ 3.26Å
38	F	73.9	Confident	62.2	Low	16 Å²	16	62.1 Å²	62.1	7%	0.07	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	149.6	-175.9	-55.3	-83.1	0	0	0	112.8	C24 C44 L45 F47 F79 T83 K87	C24-F38 HydrophobicContact CB-CD1 3.91Å; F38-C44 CarbonylContact O-C 3.48Å; F38-C44 VanDerWaalsContact O-CA 3.28Å; F38-C44 WeakPolarHBondContact O-CA 3.47Å; F38-L45 PolarHBondContact N-O 2.81Å; F38-L45 PolarHBondContact O-N 2.64Å; F38-F47 HydrophobicContact CD2-CD2 4.03Å; F38-F47 AromaticContact CD2-CE2 3.89Å; F38-F47 HydrophobicContact CD2-CE2 3.89Å; F38-F47 AromaticContact CE2-CD2 3.88Å; F38-F47 HydrophobicContact CE2-CD2 3.88Å; F38-F47 AromaticContact CE2-CE2 3.87Å; F38-F47 HydrophobicContact CE2-CE2 3.87Å; F38-F79 HydrophobicContact CB-CZ 3.68Å; F38-F79 HydrophobicContact CG-CZ 4.33Å; F38-T83 HydrophobicContact CD1-CG2 4.02Å; F38-T83 HydrophobicContact CD2-CG2 3.85Å; F38-T83 HydrophobicContact CE1-CG2 3.6Å; F38-T83 HydrophobicContact CE2-CG2 3.42Å; F38-T83 VanDerWaalsContact CE2-CG2 3.42Å; F38-T83 HydrophobicContact CG-CG2 4.13Å; F38-T83 HydrophobicContact CZ-CG2 3.26Å; F38-K87 HydrophobicContact CE2-CD 4.11Å; F38-K87 HydrophobicContact CZ-CD 3.83Å; F38-K87 HydrophobicContact CZ-CG 4.3Å
39	V	68.1	Low	63.8	Low	21 Å²	21	63.2 Å²	63.2	13%	0.127	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	136	176	179.7	0	0	0	0	112	E25 C27 C44 L146	E25-V39 HydrophobicContact CB-CB 4.39Å; E25-V39 PolarHBondContact O-N 2.9Å; C27-V39 WeakPolarHBondContact SG-CG2 3.14Å; V39-C44 HydrophobicContact CG2-CB 4.49Å; V39-L146 HydrophobicContact CB-CD1 4.05Å; V39-L146 HydrophobicContact CG1-CD1 3.26Å; V39-L146 HydrophobicContact CG2-CD1 3.6Å
40	W	68.8	Low	65.7	Low	35 Å²	35	60.3 Å²	60.3	13%	0.133	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	120.8	171.6	-177.3	77.6	0	0	0	111.3	D42 V43 L45 P75 I76 F79	W40-D42 PolarHBondContact O-N 2.65Å; W40-V43 PolarHBondContact N-O 2.75Å; W40-V43 WeakPolarHBondContact O-CA 3.44Å; W40-V43 WeakPolarHBondContact O-CB 3.4Å; W40-V43 PolarHBondContact O-N 2.84Å; W40-L45 HydrophobicContact CB-CD1 4.26Å; W40-P75 HydrophobicContact CH2-CB 3.97Å; W40-P75 HydrophobicContact CZ2-CB 3.34Å; W40-P75 HydrophobicContact CZ2-CG 4.34Å; W40-I76 HydrophobicContact CD2-CG1 4.18Å; W40-I76 HydrophobicContact CE3-CD1 4.11Å; W40-I76 HydrophobicContact CE3-CG1 3.63Å; W40-I76 HydrophobicContact CH2-CD1 4.32Å; W40-I76 HydrophobicContact CH2-CG1 3.87Å; W40-I76 HydrophobicContact CZ2-CG1 4.39Å; W40-I76 HydrophobicContact CZ3-CD1 3.68Å; W40-I76 HydrophobicContact CZ3-CG1 3.46Å; W40-I76 VanDerWaalsContact CZ3-CG1 3.46Å; W40-F79 HydrophobicContact CB-CD2 4.13Å; W40-F79 HydrophobicContact CB-CE2 3.97Å; W40-F79 HydrophobicContact CB-CZ 4.28Å; W40-F79 AromaticContact CD1-CD2 3.85Å; W40-F79 HydrophobicContact CG-CD2 4.19Å; W40-F79 HydrophobicContact CG-CG 4.4Å
41	Q	64.3	Low	67.8	Low	129 Å²	129	60.6 Å²	60.6	60%	0.603	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.5	55.4	179.2	-66.2	-170.3	-10.1	0	0	113.6	V43	Q41-V43 PolarHBondContact O-N 2.87Å; Q41-V43 VanDerWaalsContact O-N 3.16Å
42	D	62.2	Low	70	Confident	70 Å²	70	54.5 Å²	54.5	37%	0.374	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	17	-177	-52.5	-63.8	0	0	0	114.6	W40 N145 L146 Q147	W40-D42 PolarHBondContact O-N 2.65Å; D42-N145 CarbonylContact O-C 3.54Å; D42-N145 PolarHBondContact O-OD1 3.04Å; D42-N145 VanDerWaalsContact O-OD1 3.1Å; D42-L146 HydrophobicContact CB-CB 4.43Å; D42-L146 WeakPolarHBondContact O-CB 3.26Å; D42-L146 PolarHBondContact O-N 3.3Å; D42-Q147 HydrophobicContact CB-CB 4.38Å; D42-Q147 HydrophobicContact CB-CG 3.79Å; D42-Q147 VanDerWaalsContact CG-NE2 3.3Å; D42-Q147 VanDerWaalsContact OD2-CD 3.3Å; D42-Q147 PolarHBondContact OD2-NE2 3.22Å
43	V	67.2	Low	72.2	Confident	42 Å²	42	50.3 Å²	50.3	26%	0.255	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	115.7	172	-175.8	0	0	0	0	109.5	W40 Q41 T143 H144	W40-V43 PolarHBondContact N-O 2.75Å; W40-V43 WeakPolarHBondContact O-CA 3.44Å; W40-V43 WeakPolarHBondContact O-CB 3.4Å; W40-V43 PolarHBondContact O-N 2.84Å; Q41-V43 PolarHBondContact O-N 2.87Å; Q41-V43 VanDerWaalsContact O-N 3.16Å; V43-T143 HydrophobicContact CG1-CG2 4.08Å; V43-H144 CarbonylContact C-O 3.4Å; V43-H144 VanDerWaalsContact CA-O 3.27Å; V43-H144 WeakPolarHBondContact CA-O 3.46Å
44	C	76.2	Confident	74.1	Confident	4 Å²	4	44.3 Å²	44.3	3%	0.027	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	138.3	169.1	145.2	0	0	0	0	110.4	C36 F38 V39 T143 H144 L146	C36-C44 VanDerWaalsContact CA-SG 3.58Å; C36-C44 HydrophobicContact CB-CB 4.18Å; C36-C44 WeakPolarHBondContact CB-SG 3.49Å; C36-C44 WeakPolarHBondContact SG-CB 3.12Å; C36-C44 PolarHBondContact SG-SG 3.43Å; F38-C44 CarbonylContact O-C 3.48Å; F38-C44 VanDerWaalsContact O-CA 3.28Å; F38-C44 WeakPolarHBondContact O-CA 3.47Å; V39-C44 HydrophobicContact CG2-CB 4.49Å; C44-T143 CarbonylContact O-C 3.55Å; C44-T143 WeakPolarHBondContact O-CA 3.2Å; C44-H144 HydrophobicContact CB-CB 3.92Å; C44-H144 PolarHBondContact N-O 3.42Å; C44-H144 PolarHBondContact O-N 3.45Å; C44-H144 VanDerWaalsContact SG-CD2 3.51Å; C44-L146 HydrophobicContact CB-CD1 4.1Å; C44-L146 HydrophobicContact CB-CD2 4.35Å; C44-L146 HydrophobicContact CB-CG 4.19Å
45	L	80.1	Confident	75.4	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.021	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125.7	178.1	-74.4	145.4	0	0	0	109	E37 F38 W40 L69 F79 L141 C142 T143	E37-L45 PolarHBondContact N-O 2.81Å; F38-L45 PolarHBondContact N-O 2.81Å; F38-L45 PolarHBondContact O-N 2.64Å; W40-L45 HydrophobicContact CB-CD1 4.26Å; L45-L69 HydrophobicContact CD2-CD1 4.04Å; L45-F79 HydrophobicContact CD1-CD1 4.01Å; L45-F79 HydrophobicContact CD1-CE1 3.39Å; L45-F79 HydrophobicContact CD1-CZ 3.92Å; L45-L141 HydrophobicContact CD2-CD2 3.52Å; L45-L141 HydrophobicContact CD2-CG 4.18Å; L45-C142 WeakPolarHBondContact CA-O 2.98Å; L45-T143 HydrophobicContact CD2-CG2 3.54Å; L45-T143 HydrophobicContact CG-CG2 4.29Å
46	E	83.6	Confident	76.7	Confident	2 Å²	2	53 Å²	53	1%	0.009	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	124.9	177.1	173.1	179.5	-159.9	0	0	109.3	S35 V48 R64 L141 C142 H144	S35-E46 WeakPolarHBondContact O-CB 3.3Å; S35-E46 WeakPolarHBondContact O-CG 3.32Å; S35-E46 PolarHBondContact OG-OE1 3.04Å; E46-V48 HydrophobicContact CG-CG2 3.85Å; E46-R64 IonicContact OE1-NH1 3.4Å; E46-R64 PolarHBondContact OE1-NH1 3.35Å; E46-R64 IonicContact OE2-NH1 2.78Å; E46-L141 WeakPolarHBondContact O-CA 3.25Å; E46-C142 HydrophobicContact CB-CB 4.29Å; E46-C142 PolarHBondContact N-O 3.47Å; E46-C142 PolarHBondContact O-N 3.39Å; E46-H144 IonicContact OE2-NE2 2.76Å
47	F	84.5	Confident	77.7	Confident	11 Å²	11	51.5 Å²	51.5	5%	0.048	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	117.9	168.9	-68.6	-98.3	0	0	0	109.7	E37 F38 L80 T83 T84 W94 L124 L141	E37-F47 WeakPolarHBondContact OE2-CB 3.47Å; E37-F47 WeakPolarHBondContact OE2-CD2 3.32Å; F38-F47 HydrophobicContact CD2-CD2 4.03Å; F38-F47 AromaticContact CD2-CE2 3.89Å; F38-F47 HydrophobicContact CD2-CE2 3.89Å; F38-F47 AromaticContact CE2-CD2 3.88Å; F38-F47 HydrophobicContact CE2-CD2 3.88Å; F38-F47 AromaticContact CE2-CE2 3.87Å; F38-F47 HydrophobicContact CE2-CE2 3.87Å; F47-L80 HydrophobicContact CE2-CD2 4.48Å; F47-L80 HydrophobicContact CZ-CD2 3.74Å; F47-T83 HydrophobicContact CE2-CG2 4.29Å; F47-T84 HydrophobicContact CE1-CG2 4.38Å; F47-T84 HydrophobicContact CZ-CG2 4.38Å; F47-W94 HydrophobicContact CB-CH2 4.03Å; F47-W94 HydrophobicContact CB-CZ3 4.04Å; F47-W94 HydrophobicContact CD1-CD2 4.3Å; F47-W94 HydrophobicContact CD1-CE3 4.2Å; F47-W94 AromaticContact CD1-CH2 4Å; F47-W94 HydrophobicContact CD1-CH2 4Å; F47-W94 HydrophobicContact CD1-CZ2 4.06Å; F47-W94 HydrophobicContact CD1-CZ3 4.04Å; F47-L124 HydrophobicContact CE1-CD1 3.68Å; F47-L141 HydrophobicContact CB-CD1 4.25Å; F47-L141 HydrophobicContact CD1-CD1 3.18Å; F47-L141 HydrophobicContact CD2-CD1 3.71Å; F47-L141 HydrophobicContact CE1-CD1 3.22Å; F47-L141 HydrophobicContact CE2-CD1 3.76Å; F47-L141 HydrophobicContact CG-CD1 3.44Å; F47-L141 VanDerWaalsContact CG-CD1 3.44Å; F47-L141 HydrophobicContact CZ-CD1 3.53Å
48	V	81.9	Confident	78.3	Confident	10 Å²	10	53.1 Å²	53.1	6%	0.061	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	104.8	175	-172	0	0	0	0	109.9	E46 E50 W94 G139 F140	E46-V48 HydrophobicContact CG-CG2 3.85Å; V48-E50 VanDerWaalsContact C-N 3.25Å; V48-E50 HydrophobicContact CG1-CB 4.19Å; V48-E50 PolarHBondContact O-N 2.86Å; V48-W94 WeakPolarHBondContact O-CZ3 3.31Å; V48-G139 WeakPolarHBondContact O-CA 3.46Å; V48-F140 HydrophobicContact CB-CD1 4.25Å; V48-F140 HydrophobicContact CB-CD2 3.98Å; V48-F140 HydrophobicContact CB-CE1 3.91Å; V48-F140 HydrophobicContact CB-CE2 3.64Å; V48-F140 HydrophobicContact CB-CG 4.28Å; V48-F140 HydrophobicContact CB-CZ 3.61Å; V48-F140 HydrophobicContact CG1-CD1 4.43Å; V48-F140 HydrophobicContact CG1-CE1 3.65Å; V48-F140 HydrophobicContact CG1-CE2 3.94Å; V48-F140 HydrophobicContact CG1-CZ 3.38Å; V48-F140 HydrophobicContact CG2-CD2 4.13Å; V48-F140 HydrophobicContact CG2-CE2 3.65Å; V48-F140 HydrophobicContact CG2-CZ 4Å; V48-F140 PolarHBondContact N-O 3.42Å; V48-F140 PolarHBondContact O-N 3.26Å; V48-F140 VanDerWaalsContact O-N 3.16Å
49	E	78	Confident	78.6	Confident	141 Å²	141	54.6 Å²	54.6	66%	0.659	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	-26.9	-177.8	-66.1	-171.7	169.9	0	0	113.1	S51 W94	E49-S51 PolarHBondContact O-N 3.29Å; E49-S51 VanDerWaalsContact O-N 3.16Å; E49-W94 HydrophobicContact CG-CH2 4.19Å
50	E	81.8	Confident	79.3	Confident	120 Å²	120	53.8 Å²	53.8	56%	0.561	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.1	118.7	179.8	-73.1	-171.9	171.2	0	0	112.2	V48 K52 F140	V48-E50 VanDerWaalsContact C-N 3.25Å; V48-E50 HydrophobicContact CG1-CB 4.19Å; V48-E50 PolarHBondContact O-N 2.86Å; E50-K52 PolarHBondContact O-N 3.08Å; E50-F140 WeakPolarHBondContact O-CE1 3.22Å
51	S	82.1	Confident	80	Confident	61 Å²	61	52.1 Å²	52.1	43%	0.427	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	115.3	-178.5	75.7	0	0	0	0	111.5	E49 R138	E49-S51 PolarHBondContact O-N 3.29Å; E49-S51 VanDerWaalsContact O-N 3.16Å; S51-R138 CarbonylContact C-O 3.58Å; S51-R138 VanDerWaalsContact CA-O 3.3Å; S51-R138 WeakPolarHBondContact CA-O 3.25Å
52	K	85.2	Confident	80.6	Confident	49 Å²	49	51.8 Å²	51.8	21%	0.213	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	159.7	177.2	-68.5	-171.9	-174.8	179	0	111	E50 Q56 A57 S60 W95 R137 R138 F140	E50-K52 PolarHBondContact O-N 3.08Å; K52-Q56 HydrophobicContact CB-CB 3.97Å; K52-Q56 HydrophobicContact CD-CB 4.3Å; K52-A57 HydrophobicContact CB-CB 4.31Å; K52-S60 PolarHBondContact NZ-OG 3.47Å; K52-W95 PolarHBondContact O-NE1 2.97Å; K52-R137 WeakPolarHBondContact O-CA 3.41Å; K52-R138 PolarHBondContact N-O 3.48Å; K52-R138 PolarHBondContact O-N 3.25Å; K52-R138 VanDerWaalsContact O-N 3.14Å; K52-F140 HydrophobicContact CB-CD1 4.31Å; K52-F140 HydrophobicContact CB-CE1 4.02Å; K52-F140 HydrophobicContact CD-CE1 3.73Å; K52-F140 HydrophobicContact CD-CZ 4.03Å; K52-F140 HydrophobicContact CG-CE1 3.88Å
53	T	87	Confident	81.2	Confident	31 Å²	31	55.5 Å²	55.5	19%	0.19	27%	0.265	C	S	.	.			trans	-66.6	158.3	168.2	66.1	0	0	0	0	109.1	Y55 Q56 A57 R137	T53-Y55 VanDerWaalsContact C-N 3.26Å; T53-Y55 PolarHBondContact O-N 3.11Å; T53-Q56 PolarHBondContact O-N 2.8Å; T53-Q56 VanDerWaalsContact O-N 3.11Å; T53-Q56 WeakPolarHBondContact OG1-CG 3.3Å; T53-Q56 PolarHBondContact OG1-OE1 2.96Å; T53-A57 WeakPolarHBondContact O-CB 3.33Å; T53-A57 PolarHBondContact O-N 2.89Å; T53-R137 HydrophobicContact CG2-CG 4.21Å
54	W	87.3	Confident	81.2	Confident	17 Å²	17	57.2 Å²	57.2	6%	0.064	27%	0.266	C	S	.	.	H	α-helix	trans	-56.3	-40.5	-174.5	-178.1	89.9	0	0	0	112.9	A57 R58 W95 V96 K98 C119 C134	W54-A57 PolarHBondContact O-N 2.71Å; W54-R58 PolarHBondContact O-N 2.79Å; W54-R58 VanDerWaalsContact O-N 3.09Å; W54-W95 HydrophobicContact CB-CD2 4.02Å; W54-W95 HydrophobicContact CB-CE3 4.31Å; W54-W95 HydrophobicContact CB-CG 4.41Å; W54-W95 HydrophobicContact CB-CZ2 4.29Å; W54-W95 AromaticContact CD1-CD2 3.75Å; W54-W95 AromaticContact CD1-CE3 3.56Å; W54-W95 AromaticContact CD1-CG 3.98Å; W54-W95 HydrophobicContact CG-CD2 4.31Å; W54-W95 HydrophobicContact CG-CE3 4.32Å; W54-V96 PolarHBondContact NE1-O 2.93Å; W54-K98 HydrophobicContact CH2-CB 3.76Å; W54-K98 HydrophobicContact CH2-CD 4.35Å; W54-K98 HydrophobicContact CZ2-CB 3.46Å; W54-K98 VanDerWaalsContact CZ2-CB 3.46Å; W54-C119 HydrophobicContact CB-CB 3.94Å; W54-C119 WeakPolarHBondContact CB-SG 3.14Å; W54-C119 HydrophobicContact CD2-CB 4.31Å; W54-C119 HydrophobicContact CG-CB 3.68Å; W54-C134 HydrophobicContact CB-CB 4.31Å; W54-C134 PolarHBondContact N-O 3.48Å
55	Y	79.9	Confident	80.8	Confident	179 Å²	179	60 Å²	60	70%	0.702	30%	0.295	S	S	*	.	H	α-helix	trans	-66.9	-42.9	178.6	-171.5	-91.9	0	0	0	112.2	T53 R58 S59	T53-Y55 VanDerWaalsContact C-N 3.26Å; T53-Y55 PolarHBondContact O-N 3.11Å; Y55-R58 PolarHBondContact O-N 2.81Å; Y55-S59 PolarHBondContact O-N 2.82Å
56	Q	84.1	Confident	80.6	Confident	90 Å²	90	60.1 Å²	60.1	42%	0.421	30%	0.298	S	S	.	.	H	α-helix	trans	-66.3	-39.9	177.7	-72.3	175.3	-23.1	0	0	111.8	K52 T53 R58 S59 S60	K52-Q56 HydrophobicContact CB-CB 3.97Å; K52-Q56 HydrophobicContact CD-CB 4.3Å; T53-Q56 PolarHBondContact O-N 2.8Å; T53-Q56 VanDerWaalsContact O-N 3.11Å; T53-Q56 WeakPolarHBondContact OG1-CG 3.3Å; T53-Q56 PolarHBondContact OG1-OE1 2.96Å; Q56-R58 VanDerWaalsContact C-N 3.33Å; Q56-R58 PolarHBondContact O-N 2.81Å; Q56-S59 PolarHBondContact O-N 2.82Å; Q56-S60 VanDerWaalsContact O-CB 3.26Å; Q56-S60 WeakPolarHBondContact O-CB 3.33Å; Q56-S60 PolarHBondContact O-N 3.04Å
57	A	84.8	Confident	80.6	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-59.6	-43.4	173.8	0	0	0	0	0	111.5	K52 T53 W54 S60 C61 F140	K52-A57 HydrophobicContact CB-CB 4.31Å; T53-A57 WeakPolarHBondContact O-CB 3.33Å; T53-A57 PolarHBondContact O-N 2.89Å; W54-A57 PolarHBondContact O-N 2.71Å; A57-S60 PolarHBondContact O-N 2.87Å; A57-C61 PolarHBondContact O-N 3.02Å; A57-F140 HydrophobicContact CB-CB 3.67Å; A57-F140 HydrophobicContact CB-CD1 3.6Å; A57-F140 HydrophobicContact CB-CD2 4.02Å; A57-F140 HydrophobicContact CB-CE1 4.21Å; A57-F140 HydrophobicContact CB-CG 3.49Å; A57-F140 VanDerWaalsContact CB-CG 3.49Å
58	R	83	Confident	80.7	Confident	83 Å²	83	65 Å²	65	31%	0.313	32%	0.319	S	S	.	.	H	α-helix	trans	-64.3	-43.3	178.1	-166.5	175.4	-170.8	-162.2	3.5	112.9	W54 Y55 Q56 S60 K62 L68 E97	W54-R58 PolarHBondContact O-N 2.79Å; W54-R58 VanDerWaalsContact O-N 3.09Å; Y55-R58 PolarHBondContact O-N 2.81Å; Q56-R58 VanDerWaalsContact C-N 3.33Å; Q56-R58 PolarHBondContact O-N 2.81Å; R58-S60 VanDerWaalsContact C-N 3.33Å; R58-K62 PolarHBondContact O-N 3.36Å; R58-L68 HydrophobicContact CB-CD1 3.56Å; R58-L68 HydrophobicContact CG-CD1 3.97Å; R58-E97 IonicContact CZ-OE1 3.11Å; R58-E97 IonicContact NE-OE1 2.9Å; R58-E97 PolarHBondContact NE-OE1 2.89Å; R58-E97 IonicContact NH2-OE1 2.68Å; R58-E97 PolarHBondContact NH2-OE1 3.1Å
59	S	81.4	Confident	80.9	Confident	47 Å²	47	64.8 Å²	64.8	33%	0.329	32%	0.317	S	S	.	.	H	α-helix	trans	-62.8	-44.1	174.9	-158.9	0	0	0	0	110.6	Y55 Q56 C61 K62 E63	Y55-S59 PolarHBondContact O-N 2.82Å; Q56-S59 PolarHBondContact O-N 2.82Å; S59-C61 PolarHBondContact O-N 3.29Å; S59-K62 WeakPolarHBondContact O-CB 3.29Å; S59-K62 PolarHBondContact O-N 3.19Å; S59-E63 PolarHBondContact O-N 3.48Å; S59-E63 PolarHBondContact OG-OE1 2.98Å; S59-E63 VanDerWaalsContact OG-OE1 3.07Å
60	S	81.9	Confident	80.7	Confident	5 Å²	5	61.4 Å²	61.4	4%	0.035	30%	0.304	C	S	.	.	H	α-helix	trans	-61.6	-40.1	-178.5	-162.3	0	0	0	0	113	K52 Q56 A57 R58 R64	K52-S60 PolarHBondContact NZ-OG 3.47Å; Q56-S60 VanDerWaalsContact O-CB 3.26Å; Q56-S60 WeakPolarHBondContact O-CB 3.33Å; Q56-S60 PolarHBondContact O-N 3.04Å; A57-S60 PolarHBondContact O-N 2.87Å; R58-S60 VanDerWaalsContact C-N 3.33Å; S60-R64 WeakPolarHBondContact O-CB 3.22Å; S60-R64 WeakPolarHBondContact O-CG 3.06Å; S60-R64 PolarHBondContact O-N 3.5Å
61	C	83.3	Confident	80.2	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-66.9	-38.1	173.7	-66.2	0	0	0	0	111.8	A57 S59 R64 G65 G66 C142	A57-C61 PolarHBondContact O-N 3.02Å; S59-C61 PolarHBondContact O-N 3.29Å; C61-R64 CarbonylContact O-C 3.57Å; C61-R64 WeakPolarHBondContact O-CB 3.23Å; C61-R64 PolarHBondContact O-N 3.46Å; C61-G65 PolarHBondContact O-N 3.23Å; C61-G66 CarbonylContact C-O 3.56Å; C61-G66 VanDerWaalsContact C-O 3.23Å; C61-G66 CarbonylContact O-C 3.56Å; C61-G66 VanDerWaalsContact O-C 3.32Å; C61-G66 WeakPolarHBondContact O-CA 3.19Å; C61-G66 PolarHBondContact O-N 3.48Å; C61-C142 WeakPolarHBondContact CA-SG 3.32Å; C61-C142 HydrophobicContact CB-CB 3.8Å; C61-C142 WeakPolarHBondContact CB-SG 3.27Å; C61-C142 VanDerWaalsContact SG-CA 3.52Å; C61-C142 WeakPolarHBondContact SG-CB 3.37Å; C61-C142 CovalentContact SG-SG 2.04Å; C61-C142 PolarHBondContact SG-SG 3.36Å
62	K	77.4	Confident	79.7	Confident	122 Å²	122	57.4 Å²	57.4	53%	0.53	28%	0.284	S	S	.	.	H	α-helix	trans	-67.4	-43.2	-179.7	-77.9	-176	175.7	-171.6	0	113	R58 S59 R64 G65 G66	R58-K62 PolarHBondContact O-N 3.36Å; S59-K62 WeakPolarHBondContact O-CB 3.29Å; S59-K62 PolarHBondContact O-N 3.19Å; K62-R64 PolarHBondContact O-N 3.48Å; K62-G65 PolarHBondContact O-N 2.87Å; K62-G66 VanDerWaalsContact CA-O 3.29Å; K62-G66 WeakPolarHBondContact CA-O 3.41Å; K62-G66 PolarHBondContact N-O 3.48Å
63	E	74.6	Confident	79.1	Confident	148 Å²	148	57.9 Å²	57.9	69%	0.692	29%	0.289	S	S	*	.	H	α-helix	trans	-59.2	-29	174.2	-75.7	163.8	-150.9	0	0	111.8	S59 G65	S59-E63 PolarHBondContact O-N 3.48Å; S59-E63 PolarHBondContact OG-OE1 2.98Å; S59-E63 VanDerWaalsContact OG-OE1 3.07Å; E63-G65 VanDerWaalsContact C-N 3.31Å
64	R	67.8	Low	78.3	Confident	77 Å²	77	60.2 Å²	60.2	29%	0.291	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	6	175.9	-76.8	-177.4	-171.2	-146.5	-1.6	114.2	A34 E46 S60 C61 K62 G66 H144	A34-R64 HydrophobicContact CB-CB 3.51Å; A34-R64 HydrophobicContact CB-CG 3.82Å; A34-R64 WeakPolarHBondContact CB-O 3.29Å; E46-R64 IonicContact OE1-NH1 3.4Å; E46-R64 PolarHBondContact OE1-NH1 3.35Å; E46-R64 IonicContact OE2-NH1 2.78Å; S60-R64 WeakPolarHBondContact O-CB 3.22Å; S60-R64 WeakPolarHBondContact O-CG 3.06Å; S60-R64 PolarHBondContact O-N 3.5Å; C61-R64 CarbonylContact O-C 3.57Å; C61-R64 WeakPolarHBondContact O-CB 3.23Å; C61-R64 PolarHBondContact O-N 3.46Å; K62-R64 PolarHBondContact O-N 3.48Å; R64-G66 VanDerWaalsContact C-N 3.32Å; R64-G66 PolarHBondContact O-N 2.88Å; R64-H144 PolarHBondContact O-CE1 3.44Å; R64-H144 PolarHBondContact O-ND1 3.28Å
65	G	66.8	Low	77.3	Confident	62 Å²	62	61.9 Å²	61.9	64%	0.639	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	17.7	-179	0	0	0	0	0	114.5	C61 K62 E63 H144	C61-G65 PolarHBondContact O-N 3.23Å; K62-G65 PolarHBondContact O-N 2.87Å; E63-G65 VanDerWaalsContact C-N 3.31Å; G65-H144 PolarHBondContact O-ND1 2.93Å
66	G	75.6	Confident	76.9	Confident	7 Å²	7	53.9 Å²	53.9	7%	0.072	29%	0.289	C	S	.	.			trans	-125.5	-174.8	178.6	0	0	0	0	0	113.6	C61 K62 R64 T143 H144	C61-G66 CarbonylContact C-O 3.56Å; C61-G66 VanDerWaalsContact C-O 3.23Å; C61-G66 CarbonylContact O-C 3.56Å; C61-G66 VanDerWaalsContact O-C 3.32Å; C61-G66 WeakPolarHBondContact O-CA 3.19Å; C61-G66 PolarHBondContact O-N 3.48Å; K62-G66 VanDerWaalsContact CA-O 3.29Å; K62-G66 WeakPolarHBondContact CA-O 3.41Å; K62-G66 PolarHBondContact N-O 3.48Å; R64-G66 VanDerWaalsContact C-N 3.32Å; R64-G66 PolarHBondContact O-N 2.88Å; G66-T143 CarbonylContact C-O 3.54Å; G66-T143 WeakPolarHBondContact CA-O 2.98Å; G66-H144 VanDerWaalsContact CA-CE1 3.45Å; G66-H144 WeakPolarHBondContact CA-CE1 3.49Å; G66-H144 WeakPolarHBondContact CA-ND1 3.4Å; G66-H144 PolarHBondContact N-CE1 3.4Å; G66-H144 PolarHBondContact N-ND1 3.42Å
67	K	83.8	Confident	76.4	Confident	117 Å²	117	53.1 Å²	53.1	51%	0.509	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	156.9	173.3	-66.4	179.6	-175.3	172.4	0	110.2	L69 C142 T143	K67-L69 PolarHBondContact O-N 2.92Å; K67-C142 CarbonylContact O-C 3.57Å; K67-C142 VanDerWaalsContact O-CA 3.3Å; K67-C142 WeakPolarHBondContact O-CA 3.47Å; K67-T143 PolarHBondContact N-O 3.23Å; K67-T143 PolarHBondContact O-N 3.47Å; K67-T143 PolarHBondContact O-OG1 3.01Å
68	L	87.1	Confident	75.8	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	139.5	165.4	-89.8	162.3	0	0	0	108.8	R58 N70 W95 E97 F140 L141	R58-L68 HydrophobicContact CB-CD1 3.56Å; R58-L68 HydrophobicContact CG-CD1 3.97Å; L68-N70 PolarHBondContact O-N 2.9Å; L68-W95 HydrophobicContact CD2-CB 4.08Å; L68-W95 WeakPolarHBondContact CD2-O 3.45Å; L68-E97 HydrophobicContact CB-CB 4.06Å; L68-F140 HydrophobicContact CD2-CB 3.82Å; L68-L141 WeakPolarHBondContact CA-O 3.38Å
69	L	86.1	Confident	75.6	Confident	4 Å²	4	55.3 Å²	55.3	2%	0.021	30%	0.3	C	S	.	.			trans	-47.8	128.4	177.3	-178.8	70.9	0	0	0	110.7	L45 K67 V71 L72 L80 V96 E97 M122 L141 T143	L45-L69 HydrophobicContact CD2-CD1 4.04Å; K67-L69 PolarHBondContact O-N 2.92Å; L69-V71 WeakPolarHBondContact CD1-O 3.42Å; L69-L72 HydrophobicContact CD2-CD1 3.71Å; L69-L80 HydrophobicContact CD2-CD1 4.13Å; L69-V96 WeakPolarHBondContact O-CG1 3.35Å; L69-E97 PolarHBondContact O-N 2.94Å; L69-M122 HydrophobicContact CD2-CE 4.06Å; L69-L141 HydrophobicContact CB-CB 4.33Å; L69-L141 HydrophobicContact CB-CD2 4.03Å; L69-L141 HydrophobicContact CD1-CD2 4.43Å; L69-L141 HydrophobicContact CD2-CD2 3.72Å; L69-L141 HydrophobicContact CG-CD2 4.26Å; L69-L141 PolarHBondContact N-O 3.44Å; L69-T143 HydrophobicContact CB-CG2 4.29Å; L69-T143 HydrophobicContact CD1-CG2 3.5Å; L69-T143 VanDerWaalsContact CD1-CG2 3.5Å
70	N	74.3	Confident	75.5	Confident	70 Å²	70	53.1 Å²	53.1	37%	0.374	29%	0.285	S	S	.	.			trans	-130.7	-5.4	-174.5	65.6	1	0	0	0	114.6	L68 E97 F100	L68-N70 PolarHBondContact O-N 2.9Å; N70-E97 HydrophobicContact CB-CB 3.73Å; N70-E97 HydrophobicContact CB-CG 4.31Å; N70-E97 WeakPolarHBondContact CB-OE2 3.45Å; N70-E97 PolarHBondContact ND2-OE2 2.9Å; N70-F100 WeakPolarHBondContact O-CD2 3.5Å; N70-F100 VanDerWaalsContact O-CE2 3.3Å; N70-F100 WeakPolarHBondContact O-CE2 3.37Å
71	V	71.6	Confident	75.1	Confident	78 Å²	78	54.6 Å²	54.6	47%	0.473	30%	0.295	S	S	.	.			trans	-125.6	129.5	173.5	-177.5	0	0	0	0	109.4	L69 I76	L69-V71 WeakPolarHBondContact CD1-O 3.42Å; V71-I76 HydrophobicContact CG1-CD1 4.3Å; V71-I76 WeakPolarHBondContact O-CD1 3.28Å
72	L	71.8	Confident	74.6	Confident	19 Å²	19	58.4 Å²	58.4	10%	0.099	32%	0.316	C	S	.	.			trans	-134.1	76.3	179.1	-157	89.6	0	0	0	108.8	L69 I76 Q77 L80 F100 M122	L69-L72 HydrophobicContact CD2-CD1 3.71Å; L72-I76 HydrophobicContact CD1-CG2 4.09Å; L72-Q77 HydrophobicContact CD2-CG 3.78Å; L72-Q77 HydrophobicContact CG-CG 3.71Å; L72-Q77 PolarHBondContact O-NE2 3.27Å; L72-L80 HydrophobicContact CD1-CD1 3.83Å; L72-F100 HydrophobicContact CB-CE1 3.89Å; L72-F100 HydrophobicContact CB-CE2 3.61Å; L72-F100 HydrophobicContact CB-CZ 3.1Å; L72-F100 HydrophobicContact CG-CZ 4.45Å; L72-F100 VanDerWaalsContact N-CE2 3.27Å; L72-F100 VanDerWaalsContact N-CZ 3.27Å; L72-M122 HydrophobicContact CD1-CE 3.76Å; L72-M122 HydrophobicContact CD1-SD 3.67Å; L72-M122 HydrophobicContact CD2-SD 3.8Å; L72-M122 HydrophobicContact CG-SD 4.41Å
73	N	72.4	Confident	74.2	Confident	60 Å²	60	52.7 Å²	52.7	32%	0.321	29%	0.291	S	S	.	.			trans	-84.9	169.4	174.8	63.6	14.9	0	0	0	110.8	P75 I76 Q77	N73-P75 VanDerWaalsContact C-N 3.32Å; N73-P75 WeakPolarHBondContact OD1-CD 2.97Å; N73-I76 PolarHBondContact O-N 2.96Å; N73-I76 VanDerWaalsContact O-N 3.14Å; N73-I76 VanDerWaalsContact OD1-CB 3.29Å; N73-I76 WeakPolarHBondContact OD1-CB 3.16Å; N73-I76 WeakPolarHBondContact OD1-CD1 3.32Å; N73-I76 WeakPolarHBondContact OD1-CG1 3.24Å; N73-I76 PolarHBondContact OD1-N 2.91Å; N73-Q77 WeakPolarHBondContact O-CG 3.37Å; N73-Q77 PolarHBondContact O-N 3.34Å
74	S	68.8	Low	74.1	Confident	79 Å²	79	45.7 Å²	45.7	55%	0.552	26%	0.258	S	S	*	.	H	α-helix	trans	-54.1	-40.3	179.7	171	0	0	0	0	113.6	Q77 M78	S74-Q77 PolarHBondContact O-N 3.45Å; S74-M78 PolarHBondContact O-N 3.41Å
75	P	66.8	Low	74	Confident	52 Å²	52	51.7 Å²	51.7	34%	0.338	28%	0.281	S	S	.	.	H	α-helix	trans	-59.8	-47.6	172	-27.8	35.5	0	0	0	114.8	W40 N73 Q77 M78 F79	W40-P75 HydrophobicContact CH2-CB 3.97Å; W40-P75 HydrophobicContact CZ2-CB 3.34Å; W40-P75 HydrophobicContact CZ2-CG 4.34Å; N73-P75 VanDerWaalsContact C-N 3.32Å; N73-P75 WeakPolarHBondContact OD1-CD 2.97Å; P75-Q77 VanDerWaalsContact C-N 3.31Å; P75-Q77 PolarHBondContact O-N 3.11Å; P75-M78 PolarHBondContact O-N 3.41Å; P75-F79 WeakPolarHBondContact O-CB 3.5Å; P75-F79 PolarHBondContact O-N 3.49Å
76	I	71.9	Confident	73.9	Confident	12 Å²	12	56.4 Å²	56.4	6%	0.062	29%	0.286	C	S	.	.	H	α-helix	trans	-64.8	-36.4	178.3	-69.2	167.1	0	0	0	110.8	W40 V71 L72 N73 F79 L80	W40-I76 HydrophobicContact CD2-CG1 4.18Å; W40-I76 HydrophobicContact CE3-CD1 4.11Å; W40-I76 HydrophobicContact CE3-CG1 3.63Å; W40-I76 HydrophobicContact CH2-CD1 4.32Å; W40-I76 HydrophobicContact CH2-CG1 3.87Å; W40-I76 HydrophobicContact CZ2-CG1 4.39Å; W40-I76 HydrophobicContact CZ3-CD1 3.68Å; W40-I76 HydrophobicContact CZ3-CG1 3.46Å; W40-I76 VanDerWaalsContact CZ3-CG1 3.46Å; V71-I76 HydrophobicContact CG1-CD1 4.3Å; V71-I76 WeakPolarHBondContact O-CD1 3.28Å; L72-I76 HydrophobicContact CD1-CG2 4.09Å; N73-I76 PolarHBondContact O-N 2.96Å; N73-I76 VanDerWaalsContact O-N 3.14Å; N73-I76 VanDerWaalsContact OD1-CB 3.29Å; N73-I76 WeakPolarHBondContact OD1-CB 3.16Å; N73-I76 WeakPolarHBondContact OD1-CD1 3.32Å; N73-I76 WeakPolarHBondContact OD1-CG1 3.24Å; N73-I76 PolarHBondContact OD1-N 2.91Å; I76-F79 PolarHBondContact O-N 2.77Å; I76-L80 HydrophobicContact CG2-CD1 3.85Å; I76-L80 HydrophobicContact CG2-CG 4.16Å; I76-L80 WeakPolarHBondContact O-CB 3.37Å; I76-L80 WeakPolarHBondContact O-CG 3.42Å; I76-L80 PolarHBondContact O-N 3.01Å
77	Q	73.6	Confident	73.3	Confident	74 Å²	74	60.8 Å²	60.8	35%	0.346	30%	0.303	S	S	.	.	H	α-helix	trans	-63.5	-44.3	175.2	-69.9	177.9	11.2	0	0	111.9	L72 N73 S74 P75 S81	L72-Q77 HydrophobicContact CD2-CG 3.78Å; L72-Q77 HydrophobicContact CG-CG 3.71Å; L72-Q77 PolarHBondContact O-NE2 3.27Å; N73-Q77 WeakPolarHBondContact O-CG 3.37Å; N73-Q77 PolarHBondContact O-N 3.34Å; S74-Q77 PolarHBondContact O-N 3.45Å; P75-Q77 VanDerWaalsContact C-N 3.31Å; P75-Q77 PolarHBondContact O-N 3.11Å; Q77-S81 VanDerWaalsContact O-CB 3.3Å; Q77-S81 WeakPolarHBondContact O-CB 3.34Å; Q77-S81 PolarHBondContact O-N 2.78Å; Q77-S81 PolarHBondContact O-OG 3.42Å
78	M	72.8	Confident	72.5	Confident	111 Å²	111	61 Å²	61	55%	0.547	31%	0.31	S	S	.	.	H	α-helix	trans	-63.4	-44.9	174.6	-75.6	-170.6	-57.1	0	0	111.3	S74 P75 S81 N82	S74-M78 PolarHBondContact O-N 3.41Å; P75-M78 PolarHBondContact O-N 3.41Å; M78-S81 WeakPolarHBondContact CA-OG 3.44Å; M78-S81 PolarHBondContact O-N 3.4Å; M78-S81 PolarHBondContact O-OG 3.32Å; M78-N82 PolarHBondContact O-N 3.1Å
79	F	78.7	Confident	71.5	Confident	17 Å²	17	61.2 Å²	61.2	8%	0.075	31%	0.311	C	S	.	.	H	α-helix	trans	-55.6	-55.9	175.8	170.7	-90.4	0	0	0	111.5	C24 F38 W40 L45 P75 I76 S81 N82 T83	C24-F79 HydrophobicContact CB-CE2 4.11Å; C24-F79 WeakPolarHBondContact SG-CE2 3.32Å; F38-F79 HydrophobicContact CB-CZ 3.68Å; F38-F79 HydrophobicContact CG-CZ 4.33Å; W40-F79 HydrophobicContact CB-CD2 4.13Å; W40-F79 HydrophobicContact CB-CE2 3.97Å; W40-F79 HydrophobicContact CB-CZ 4.28Å; W40-F79 AromaticContact CD1-CD2 3.85Å; W40-F79 HydrophobicContact CG-CD2 4.19Å; W40-F79 HydrophobicContact CG-CG 4.4Å; L45-F79 HydrophobicContact CD1-CD1 4.01Å; L45-F79 HydrophobicContact CD1-CE1 3.39Å; L45-F79 HydrophobicContact CD1-CZ 3.92Å; P75-F79 WeakPolarHBondContact O-CB 3.5Å; P75-F79 PolarHBondContact O-N 3.49Å; I76-F79 PolarHBondContact O-N 2.77Å; F79-S81 VanDerWaalsContact C-N 3.28Å; F79-S81 PolarHBondContact O-N 2.78Å; F79-N82 PolarHBondContact O-N 3.47Å; F79-N82 VanDerWaalsContact O-N 3.14Å; F79-T83 PolarHBondContact O-N 3.04Å; F79-T83 PolarHBondContact O-OG1 3.03Å
80	L	77.9	Confident	70.4	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-62	-35.6	-179.8	-69.9	175.1	0	0	0	111.9	F47 L69 L72 I76 T84 M122 L124 L141	F47-L80 HydrophobicContact CE2-CD2 4.48Å; F47-L80 HydrophobicContact CZ-CD2 3.74Å; L69-L80 HydrophobicContact CD2-CD1 4.13Å; L72-L80 HydrophobicContact CD1-CD1 3.83Å; I76-L80 HydrophobicContact CG2-CD1 3.85Å; I76-L80 HydrophobicContact CG2-CG 4.16Å; I76-L80 WeakPolarHBondContact O-CB 3.37Å; I76-L80 WeakPolarHBondContact O-CG 3.42Å; I76-L80 PolarHBondContact O-N 3.01Å; L80-T84 VanDerWaalsContact O-CB 3.27Å; L80-T84 WeakPolarHBondContact O-CB 3.5Å; L80-T84 WeakPolarHBondContact O-CG2 3.39Å; L80-T84 PolarHBondContact O-N 3.41Å; L80-T84 PolarHBondContact O-OG1 3.45Å; L80-M122 HydrophobicContact CD1-CE 3.83Å; L80-L124 HydrophobicContact CB-CD2 4.11Å; L80-L124 HydrophobicContact CD1-CD2 4.12Å; L80-L141 HydrophobicContact CD2-CD2 4.03Å
81	S	75.2	Confident	70.1	Confident	35 Å²	35	63.6 Å²	63.6	25%	0.245	33%	0.334	C	S	.	.	H	α-helix	trans	-67.1	-36.2	176.9	73.8	0	0	0	0	113.2	Q77 M78 F79 T84 R85	Q77-S81 VanDerWaalsContact O-CB 3.3Å; Q77-S81 WeakPolarHBondContact O-CB 3.34Å; Q77-S81 PolarHBondContact O-N 2.78Å; Q77-S81 PolarHBondContact O-OG 3.42Å; M78-S81 WeakPolarHBondContact CA-OG 3.44Å; M78-S81 PolarHBondContact O-N 3.4Å; M78-S81 PolarHBondContact O-OG 3.32Å; F79-S81 VanDerWaalsContact C-N 3.28Å; F79-S81 PolarHBondContact O-N 2.78Å; S81-T84 PolarHBondContact O-OG1 3.03Å; S81-R85 WeakPolarHBondContact O-CB 3.28Å; S81-R85 PolarHBondContact O-N 3.15Å
82	N	71.4	Confident	70.3	Confident	81 Å²	81	64.7 Å²	64.7	43%	0.433	33%	0.332	S	S	.	.	H	α-helix	trans	-72.3	-46.9	175.6	-77.2	-10	0	0	0	110.8	M78 F79 T84 R85 E86	M78-N82 PolarHBondContact O-N 3.1Å; F79-N82 PolarHBondContact O-N 3.47Å; F79-N82 VanDerWaalsContact O-N 3.14Å; N82-T84 PolarHBondContact O-N 3.22Å; N82-R85 WeakPolarHBondContact O-CB 3.19Å; N82-R85 PolarHBondContact O-N 3.38Å; N82-E86 PolarHBondContact O-N 2.98Å
83	T	70.4	Confident	70.9	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.012	34%	0.337	C	S	.	.	H	α-helix	trans	-65.1	-40.1	-178.6	-52.4	0	0	0	0	112.4	F38 F47 F79 R85 E86 K87	F38-T83 HydrophobicContact CD1-CG2 4.02Å; F38-T83 HydrophobicContact CD2-CG2 3.85Å; F38-T83 HydrophobicContact CE1-CG2 3.6Å; F38-T83 HydrophobicContact CE2-CG2 3.42Å; F38-T83 VanDerWaalsContact CE2-CG2 3.42Å; F38-T83 HydrophobicContact CG-CG2 4.13Å; F38-T83 HydrophobicContact CZ-CG2 3.26Å; F47-T83 HydrophobicContact CE2-CG2 4.29Å; F79-T83 PolarHBondContact O-N 3.04Å; F79-T83 PolarHBondContact O-OG1 3.03Å; T83-R85 VanDerWaalsContact C-N 3.3Å; T83-R85 PolarHBondContact O-N 3.47Å; T83-E86 PolarHBondContact O-N 3.24Å; T83-K87 PolarHBondContact O-N 3.36Å
84	T	71.3	Confident	71.6	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-72.4	-24.2	179.5	55.4	0	0	0	0	113.8	F47 L80 S81 N82 E86 N88 T89 L124	F47-T84 HydrophobicContact CE1-CG2 4.38Å; F47-T84 HydrophobicContact CZ-CG2 4.38Å; L80-T84 VanDerWaalsContact O-CB 3.27Å; L80-T84 WeakPolarHBondContact O-CB 3.5Å; L80-T84 WeakPolarHBondContact O-CG2 3.39Å; L80-T84 PolarHBondContact O-N 3.41Å; L80-T84 PolarHBondContact O-OG1 3.45Å; S81-T84 PolarHBondContact O-OG1 3.03Å; N82-T84 PolarHBondContact O-N 3.22Å; T84-E86 VanDerWaalsContact C-N 3.34Å; T84-N88 PolarHBondContact O-N 3.45Å; T84-T89 WeakPolarHBondContact CA-OG1 3.31Å; T84-T89 WeakPolarHBondContact CB-OG1 3.43Å; T84-T89 VanDerWaalsContact CG2-OG1 3.26Å; T84-T89 WeakPolarHBondContact CG2-OG1 3.15Å; T84-T89 PolarHBondContact O-N 2.9Å; T84-L124 HydrophobicContact CG2-CB 3.61Å; T84-L124 HydrophobicContact CG2-CD1 3.41Å; T84-L124 VanDerWaalsContact CG2-CD1 3.41Å; T84-L124 HydrophobicContact CG2-CD2 4.22Å; T84-L124 HydrophobicContact CG2-CG 3.94Å
85	R	66.5	Low	72.7	Confident	203 Å²	203	58.9 Å²	58.9	77%	0.766	30%	0.296	S	S	*	.	H	α-helix	trans	-71	-31.6	171.2	-177.7	177.3	152.6	-174.1	-7.6	111.6	S81 N82 T83	S81-R85 WeakPolarHBondContact O-CB 3.28Å; S81-R85 PolarHBondContact O-N 3.15Å; N82-R85 WeakPolarHBondContact O-CB 3.19Å; N82-R85 PolarHBondContact O-N 3.38Å; T83-R85 VanDerWaalsContact C-N 3.3Å; T83-R85 PolarHBondContact O-N 3.47Å
86	E	63.6	Low	73.6	Confident	162 Å²	162	56.5 Å²	56.5	76%	0.757	28%	0.281	S	S	*	.	H	α-helix	trans	-80.5	-44.9	176.8	-71.2	-176.7	171.1	0	0	113.3	N82 T83 T84 N88	N82-E86 PolarHBondContact O-N 2.98Å; T83-E86 PolarHBondContact O-N 3.24Å; T84-E86 VanDerWaalsContact C-N 3.34Å; E86-N88 PolarHBondContact O-N 2.63Å
87	K	64.3	Low	74	Confident	98 Å²	98	57.1 Å²	57.1	43%	0.426	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	2.8	-178.6	-87.6	-161.2	172.5	-177	0	115.4	E37 F38 T83 T89	E37-K87 IonicContact OE1-NZ 2.78Å; E37-K87 PolarHBondContact OE1-NZ 3.43Å; E37-K87 IonicContact OE2-NZ 3.74Å; E37-K87 PolarHBondContact OE2-NZ 3.26Å; F38-K87 HydrophobicContact CE2-CD 4.11Å; F38-K87 HydrophobicContact CZ-CD 3.83Å; F38-K87 HydrophobicContact CZ-CG 4.3Å; T83-K87 PolarHBondContact O-N 3.36Å; K87-T89 HydrophobicContact CB-CG2 4.03Å; K87-T89 PolarHBondContact O-N 3.02Å; K87-T89 VanDerWaalsContact O-N 3.15Å
88	N	65.3	Low	73.5	Confident	122 Å²	122	59.5 Å²	59.5	65%	0.652	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	26.2	-176.8	-150.2	11.6	0	0	0	114.5	T84 E86 S90	T84-N88 PolarHBondContact O-N 3.45Å; E86-N88 PolarHBondContact O-N 2.63Å; N88-S90 PolarHBondContact O-N 3.33Å
89	T	67.4	Low	72.8	Confident	5 Å²	5	57.5 Å²	57.5	3%	0.031	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-81.3	11.1	-179.7	52	0	0	0	0	113.5	T84 K87 S91 F92 W94	T84-T89 WeakPolarHBondContact CA-OG1 3.31Å; T84-T89 WeakPolarHBondContact CB-OG1 3.43Å; T84-T89 VanDerWaalsContact CG2-OG1 3.26Å; T84-T89 WeakPolarHBondContact CG2-OG1 3.15Å; T84-T89 PolarHBondContact O-N 2.9Å; K87-T89 HydrophobicContact CB-CG2 4.03Å; K87-T89 PolarHBondContact O-N 3.02Å; K87-T89 VanDerWaalsContact O-N 3.15Å; T89-S91 VanDerWaalsContact C-N 3.25Å; T89-S91 PolarHBondContact O-N 2.98Å; T89-F92 PolarHBondContact O-N 3.48Å; T89-W94 HydrophobicContact CG2-CZ2 4.37Å
90	S	63.6	Low	71.4	Confident	36 Å²	36	59.1 Å²	59.1	25%	0.252	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-65.2	-22.2	-174.6	65.5	0	0	0	0	114.6	N88	N88-S90 PolarHBondContact O-N 3.33Å
91	S	66.7	Low	69.7	Low	87 Å²	87	66.8 Å²	66.8	61%	0.608	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-82.9	-17	179	56.1	0	0	0	0	113.5	T89	T89-S91 VanDerWaalsContact C-N 3.25Å; T89-S91 PolarHBondContact O-N 2.98Å
92	F	75.6	Confident	68	Low	102 Å²	102	68.6 Å²	68.6	45%	0.447	36%	0.36	S	S	.	.			trans	-93	157.1	-173.6	-60.6	-82.1	0	0	0	113.2	T89 W94	T89-F92 PolarHBondContact O-N 3.48Å; F92-W94 HydrophobicContact CB-CZ2 3.8Å; F92-W94 HydrophobicContact CG-CZ2 4.34Å
93	T	84.2	Confident	66.3	Low	33 Å²	33	72.7 Å²	72.7	20%	0.202	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	139.1	175.9	55.3	0	0	0	0	109.8	Y121 M122 R138 G139	T93-Y121 HydrophobicContact CG2-CD2 3.98Å; T93-Y121 HydrophobicContact CG2-CE2 3.8Å; T93-M122 WeakPolarHBondContact CA-O 3.43Å; T93-R138 WeakPolarHBondContact O-CB 3.45Å; T93-R138 WeakPolarHBondContact OG1-CD 3.45Å; T93-R138 PolarHBondContact OG1-NH1 3.06Å; T93-G139 PolarHBondContact O-N 3.34Å
94	W	88.6	Confident	64.7	Low	3 Å²	3	80.5 Å²	80.5	1%	0.011	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131	-166.7	-58.1	85.5	0	0	0	111.6	F47 V48 E49 T89 F92 Y121 M122 L124 G139	F47-W94 HydrophobicContact CB-CH2 4.03Å; F47-W94 HydrophobicContact CB-CZ3 4.04Å; F47-W94 HydrophobicContact CD1-CD2 4.3Å; F47-W94 HydrophobicContact CD1-CE3 4.2Å; F47-W94 AromaticContact CD1-CH2 4Å; F47-W94 HydrophobicContact CD1-CH2 4Å; F47-W94 HydrophobicContact CD1-CZ2 4.06Å; F47-W94 HydrophobicContact CD1-CZ3 4.04Å; V48-W94 WeakPolarHBondContact O-CZ3 3.31Å; E49-W94 HydrophobicContact CG-CH2 4.19Å; T89-W94 HydrophobicContact CG2-CZ2 4.37Å; F92-W94 HydrophobicContact CB-CZ2 3.8Å; F92-W94 HydrophobicContact CG-CZ2 4.34Å; W94-Y121 CarbonylContact O-C 3.5Å; W94-Y121 VanDerWaalsContact O-CA 3.24Å; W94-Y121 WeakPolarHBondContact O-CA 3.34Å; W94-Y121 WeakPolarHBondContact O-CB 3.45Å; W94-M122 PolarHBondContact N-O 3.19Å; W94-M122 PolarHBondContact O-N 2.83Å; W94-L124 HydrophobicContact CD2-CD1 4.43Å; W94-L124 HydrophobicContact CG-CD1 3.95Å; W94-L124 VanDerWaalsContact NE1-CD1 3.3Å; W94-G139 CarbonylContact C-O 3.55Å; W94-G139 VanDerWaalsContact CA-O 3.25Å; W94-G139 WeakPolarHBondContact CA-O 3.29Å
95	W	90.4	Very high	62.9	Low	0 Å²	0	91.6 Å²	91.6	0%	0	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	145.6	175.6	-73.2	127	0	0	0	112	K52 W54 L68 C119 Y121 K136 R138 G139 F140	K52-W95 PolarHBondContact O-NE1 2.97Å; W54-W95 HydrophobicContact CB-CD2 4.02Å; W54-W95 HydrophobicContact CB-CE3 4.31Å; W54-W95 HydrophobicContact CB-CG 4.41Å; W54-W95 HydrophobicContact CB-CZ2 4.29Å; W54-W95 AromaticContact CD1-CD2 3.75Å; W54-W95 AromaticContact CD1-CE3 3.56Å; W54-W95 AromaticContact CD1-CG 3.98Å; W54-W95 HydrophobicContact CG-CD2 4.31Å; W54-W95 HydrophobicContact CG-CE3 4.32Å; L68-W95 HydrophobicContact CD2-CB 4.08Å; L68-W95 WeakPolarHBondContact CD2-O 3.45Å; W95-C119 HydrophobicContact CE3-CB 4.04Å; W95-C119 HydrophobicContact CH2-CB 3.85Å; W95-C119 HydrophobicContact CZ3-CB 3.42Å; W95-C119 VanDerWaalsContact CZ3-CB 3.42Å; W95-Y121 HydrophobicContact CZ3-CD1 4.06Å; W95-Y121 HydrophobicContact CZ3-CG 4.33Å; W95-K136 HydrophobicContact CZ2-CB 4.43Å; W95-K136 VanDerWaalsContact CZ2-O 3.24Å; W95-K136 WeakPolarHBondContact CZ2-O 3.15Å; W95-R138 HydrophobicContact CD2-CB 4.4Å; W95-R138 HydrophobicContact CG-CB 4.35Å; W95-R138 HydrophobicContact CZ2-CG 4.14Å; W95-G139 PolarHBondContact N-O 3.01Å; W95-F140 HydrophobicContact CB-CB 4.08Å
96	V	86.3	Confident	61.1	Low	2 Å²	2	89 Å²	89	1%	0.012	46%	0.455	C	S	.	.			trans	-133.2	156.4	-179.4	-169.8	0	0	0	0	109.1	W54 L69 F100 T120 M122 L129	W54-V96 PolarHBondContact NE1-O 2.93Å; L69-V96 WeakPolarHBondContact O-CG1 3.35Å; V96-F100 HydrophobicContact CG1-CD2 4.39Å; V96-T120 PolarHBondContact N-O 2.58Å; V96-M122 HydrophobicContact CG2-CB 3.8Å; V96-M122 HydrophobicContact CG2-CE 4.37Å; V96-L129 HydrophobicContact CG2-CD2 4.41Å
97	E	81.2	Confident	59.9	Low	25 Å²	25	86.5 Å²	86.5	12%	0.117	45%	0.454	C	S	.	.			trans	-66.5	144.1	-174.8	-169.4	159.1	-140.6	0	0	113.5	R58 L68 L69 N70 G99	R58-E97 IonicContact CZ-OE1 3.11Å; R58-E97 IonicContact NE-OE1 2.9Å; R58-E97 PolarHBondContact NE-OE1 2.89Å; R58-E97 IonicContact NH2-OE1 2.68Å; R58-E97 PolarHBondContact NH2-OE1 3.1Å; L68-E97 HydrophobicContact CB-CB 4.06Å; L69-E97 PolarHBondContact O-N 2.94Å; N70-E97 HydrophobicContact CB-CB 3.73Å; N70-E97 HydrophobicContact CB-CG 4.31Å; N70-E97 WeakPolarHBondContact CB-OE2 3.45Å; N70-E97 PolarHBondContact ND2-OE2 2.9Å; E97-G99 PolarHBondContact O-N 2.87Å
98	K	62.5	Low	58.7	Low	123 Å²	123	87.2 Å²	87.2	54%	0.535	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	119.7	-177.8	-170.7	176.3	-173.2	176.8	0	108.9	W54	W54-K98 HydrophobicContact CH2-CB 3.76Å; W54-K98 HydrophobicContact CH2-CD 4.35Å; W54-K98 HydrophobicContact CZ2-CB 3.46Å; W54-K98 VanDerWaalsContact CZ2-CB 3.46Å
99	G	57	Low	57.4	Low	70 Å²	70	87.2 Å²	87.2	72%	0.722	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	125.6	0.4	-173.8	0	0	0	0	0	114.2	E97 Q101	E97-G99 PolarHBondContact O-N 2.87Å; G99-Q101 PolarHBondContact O-N 3.5Å
100	F	50.9	Low	55.8	Low	51 Å²	51	96.8 Å²	96.8	22%	0.224	52%	0.519	C	S	.	.			trans	-63.1	96.8	172.8	-149	-86.8	0	0	0	110.5	N70 L72 V96 A102 L129	N70-F100 WeakPolarHBondContact O-CD2 3.5Å; N70-F100 VanDerWaalsContact O-CE2 3.3Å; N70-F100 WeakPolarHBondContact O-CE2 3.37Å; L72-F100 HydrophobicContact CB-CE1 3.89Å; L72-F100 HydrophobicContact CB-CE2 3.61Å; L72-F100 HydrophobicContact CB-CZ 3.1Å; L72-F100 HydrophobicContact CG-CZ 4.45Å; L72-F100 VanDerWaalsContact N-CE2 3.27Å; L72-F100 VanDerWaalsContact N-CZ 3.27Å; V96-F100 HydrophobicContact CG1-CD2 4.39Å; F100-A102 PolarHBondContact O-N 3.27Å; F100-L129 HydrophobicContact CD1-CD1 3.49Å; F100-L129 VanDerWaalsContact CD1-CD1 3.49Å; F100-L129 HydrophobicContact CE1-CD1 3.75Å; F100-L129 HydrophobicContact CG-CD1 4.44Å
101	Q	40.3	Very low	54.7	Low	163 Å²	163	105.4 Å²	105.4	76%	0.762	55%	0.552	S	S	*	*			trans	-67.3	103.9	173.5	-84.1	-176.7	-14.5	0	0	108.4	G99 H103	G99-Q101 PolarHBondContact O-N 3.5Å; Q101-H103 VanDerWaalsContact C-N 3.31Å; Q101-H103 PolarHBondContact O-N 2.62Å
102	A	39.8	Very low	53.7	Low	72 Å²	72	104.8 Å²	104.8	60%	0.595	56%	0.559	S	S	*	*			trans	-61.1	98.9	160.2	0	0	0	0	0	107.5	F100 H104	F100-A102 PolarHBondContact O-N 3.27Å; A102-H104 PolarHBondContact O-N 3.27Å
103	H	37.3	Very low	51.8	Low	168 Å²	168	108.7 Å²	108.7	78%	0.778	58%	0.578	S	S	*	*	S	Bend	trans	-65.8	74.9	152.3	-87.6	-64.5	0	0	0	107.1	Q101	Q101-H103 VanDerWaalsContact C-N 3.31Å; Q101-H103 PolarHBondContact O-N 2.62Å
104	H	34.9	Very low	49.8	Very low	166 Å²	166	111.9 Å²	111.9	77%	0.769	61%	0.608	S	S	*	*	S	Bend	trans	164.2	100.6	151	-86.8	-57.4	0	0	0	110	A102	A102-H104 PolarHBondContact O-N 3.27Å
105	R	33.4	Very low	47.8	Very low	233 Å²	233	119.9 Å²	119.9	88%	0.879	65%	0.65	S	S	*	*			trans	49.3	105.5	154.2	-64.5	-177.8	-173.5	175.2	2.7	118.3
106	D	29.3	Very low	46	Very low	147 Å²	147	126.7 Å²	126.7	79%	0.786	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-94.9	134.5	139.4	-97.3	-25.4	0	0	0	109
107	P	37.8	Very low	44.9	Very low	111 Å²	111	132.7 Å²	132.7	72%	0.721	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-79.9	126.9	143.5	27.7	-16.1	0	0	0	108.5
108	S	39.6	Very low	44.5	Very low	113 Å²	113	136.5 Å²	136.5	79%	0.79	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-50.4	146.7	176.8	44.7	0	0	0	0	114.3
109	P	37.6	Very low	45.3	Very low	121 Å²	121	130.7 Å²	130.7	79%	0.786	70%	0.703	S	S	*	*			trans	-106.9	152.1	151.8	18	0.6	0	0	0	112.2
110	K	35.2	Very low	46.5	Very low	206 Å²	206	128.9 Å²	128.9	90%	0.896	68%	0.678	S	S	*	*			trans	-73.6	154.7	-163.3	-68.7	166.5	172.5	175.6	0	113.7
111	K	38.9	Very low	48.1	Very low	218 Å²	218	127.8 Å²	127.8	95%	0.948	67%	0.673	S	S	*	*	S	Bend	trans	-56.3	137	167.5	-79.1	176.4	172.3	177.8	0	111.3
112	G	46.6	Very low	50.3	Low	73 Å²	73	120.1 Å²	120.1	75%	0.753	64%	0.637	S	S	*	*			trans	112.3	69.2	159.8	0	0	0	0	0	114.5
113	E	35.1	Very low	52.3	Low	185 Å²	185	121.2 Å²	121.2	86%	0.864	63%	0.628	S	S	*	*	S	Bend	trans	-166.6	141.1	153.4	-107.6	167.4	-163.8	0	0	105.9	L115	E113-L115 PolarHBondContact O-N 3.11Å; E113-L115 VanDerWaalsContact O-N 3.08Å
114	A	42.1	Very low	54.1	Low	100 Å²	100	113.4 Å²	113.4	83%	0.826	59%	0.592	S	S	*	*			trans	-41.7	118.4	-173	0	0	0	0	0	111.2	K116	A114-K116 VanDerWaalsContact C-N 3.27Å; A114-K116 PolarHBondContact O-N 2.83Å
115	L	46.7	Very low	55.6	Low	170 Å²	170	109.1 Å²	109.1	89%	0.89	58%	0.575	S	S	*	*			trans	-59.8	87.4	-171.3	-108.5	133.4	0	0	0	109.8	E113 E117	E113-L115 PolarHBondContact O-N 3.11Å; E113-L115 VanDerWaalsContact O-N 3.08Å; L115-E117 PolarHBondContact O-N 2.86Å; L115-E117 VanDerWaalsContact O-N 3.08Å
116	K	52.8	Low	57	Low	143 Å²	143	101.3 Å²	101.3	62%	0.622	56%	0.555	S	S	*	*			trans	-56.1	114.8	157.6	-81.9	174.9	166.8	-174.7	0	105.1	A114 L118 D133	A114-K116 VanDerWaalsContact C-N 3.27Å; A114-K116 PolarHBondContact O-N 2.83Å; K116-L118 PolarHBondContact O-N 2.97Å; K116-D133 WeakPolarHBondContact CD-OD2 3.5Å; K116-D133 VanDerWaalsContact CE-OD2 3.27Å; K116-D133 WeakPolarHBondContact CE-OD2 3.2Å; K116-D133 IonicContact NZ-OD2 3.37Å
117	E	63.3	Low	58.9	Low	129 Å²	129	96.6 Å²	96.6	60%	0.603	53%	0.532	S	S	*	.			trans	-54	115.9	171.6	-66	-168.5	142	0	0	106.6	L115 C134	L115-E117 PolarHBondContact O-N 2.86Å; L115-E117 VanDerWaalsContact O-N 3.08Å; E117-C134 HydrophobicContact CB-CB 4.05Å; E117-C134 WeakPolarHBondContact CB-SG 3.44Å; E117-C134 WeakPolarHBondContact O-CB 3.45Å; E117-C134 PolarHBondContact O-N 2.7Å; E117-C134 PolarHBondContact O-SG 3.27Å
118	L	72.5	Confident	60.7	Low	104 Å²	104	99.2 Å²	99.2	55%	0.545	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	128.1	176.7	-72.3	166.7	0	0	0	107.7	K116	K116-L118 PolarHBondContact O-N 2.97Å
119	C	79.3	Confident	62.6	Low	2 Å²	2	96.6 Å²	96.6	1%	0.014	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	147.7	179.3	-75.5	0	0	0	0	110.2	W54 W95 T131 S132 C134	W54-C119 HydrophobicContact CB-CB 3.94Å; W54-C119 WeakPolarHBondContact CB-SG 3.14Å; W54-C119 HydrophobicContact CD2-CB 4.31Å; W54-C119 HydrophobicContact CG-CB 3.68Å; W95-C119 HydrophobicContact CE3-CB 4.04Å; W95-C119 HydrophobicContact CH2-CB 3.85Å; W95-C119 HydrophobicContact CZ3-CB 3.42Å; W95-C119 VanDerWaalsContact CZ3-CB 3.42Å; C119-T131 WeakPolarHBondContact O-CA 3.09Å; C119-S132 PolarHBondContact N-O 2.97Å; C119-S132 PolarHBondContact O-N 2.92Å; C119-C134 HydrophobicContact CB-CB 3.93Å; C119-C134 WeakPolarHBondContact CB-SG 3.37Å; C119-C134 PolarHBondContact N-SG 3.08Å; C119-C134 WeakPolarHBondContact SG-CB 3.29Å; C119-C134 CovalentContact SG-SG 2.01Å; C119-C134 PolarHBondContact SG-SG 3.48Å
120	T	82.3	Confident	64.6	Low	31 Å²	31	94.7 Å²	94.7	19%	0.19	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	132.7	-179.9	-47.3	0	0	0	0	110.5	V96 L129 L130	V96-T120 PolarHBondContact N-O 2.58Å; T120-L129 HydrophobicContact CG2-CB 4.32Å; T120-L129 HydrophobicContact CG2-CD2 4Å; T120-L130 CarbonylContact C-O 3.58Å; T120-L130 WeakPolarHBondContact CA-O 3.47Å
121	Y	85.3	Confident	66.7	Low	29 Å²	29	88.7 Å²	88.7	11%	0.114	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	161.7	172.9	68.7	-81.2	0	0	0	110.1	T93 W94 W95 L129 L130 S132 R138	T93-Y121 HydrophobicContact CG2-CD2 3.98Å; T93-Y121 HydrophobicContact CG2-CE2 3.8Å; W94-Y121 CarbonylContact O-C 3.5Å; W94-Y121 VanDerWaalsContact O-CA 3.24Å; W94-Y121 WeakPolarHBondContact O-CA 3.34Å; W94-Y121 WeakPolarHBondContact O-CB 3.45Å; W95-Y121 HydrophobicContact CZ3-CD1 4.06Å; W95-Y121 HydrophobicContact CZ3-CG 4.33Å; Y121-L129 WeakPolarHBondContact O-CA 3.37Å; Y121-L130 HydrophobicContact CD1-CB 4.3Å; Y121-L130 VanDerWaalsContact CD1-O 3.26Å; Y121-L130 WeakPolarHBondContact CD1-O 3.32Å; Y121-L130 HydrophobicContact CD2-CB 4.48Å; Y121-L130 HydrophobicContact CE1-CB 3.66Å; Y121-L130 HydrophobicContact CE2-CB 3.92Å; Y121-L130 HydrophobicContact CE2-CD1 4.02Å; Y121-L130 VanDerWaalsContact CZ-CB 3.46Å; Y121-L130 PolarHBondContact N-O 2.78Å; Y121-L130 PolarHBondContact O-N 3.19Å; Y121-L130 VanDerWaalsContact O-O 3.05Å; Y121-S132 WeakPolarHBondContact CD1-OG 3.38Å; Y121-S132 WeakPolarHBondContact CE1-OG 3.06Å; Y121-R138 VanDerWaalsContact CZ-NH2 3.32Å
122	M	85.9	Confident	68.6	Low	2 Å²	2	78.9 Å²	78.9	1%	0.01	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	138.3	-178.9	-175.3	166.8	49.7	0	0	110.8	L69 L72 L80 T93 W94 V96 L124 R128 L129	L69-M122 HydrophobicContact CD2-CE 4.06Å; L72-M122 HydrophobicContact CD1-CE 3.76Å; L72-M122 HydrophobicContact CD1-SD 3.67Å; L72-M122 HydrophobicContact CD2-SD 3.8Å; L72-M122 HydrophobicContact CG-SD 4.41Å; L80-M122 HydrophobicContact CD1-CE 3.83Å; T93-M122 WeakPolarHBondContact CA-O 3.43Å; W94-M122 PolarHBondContact N-O 3.19Å; W94-M122 PolarHBondContact O-N 2.83Å; V96-M122 HydrophobicContact CG2-CB 3.8Å; V96-M122 HydrophobicContact CG2-CE 4.37Å; M122-L124 HydrophobicContact CE-CD2 3.57Å; M122-L124 HydrophobicContact CG-CD2 4.34Å; M122-L124 HydrophobicContact SD-CD2 4.15Å; M122-R128 WeakPolarHBondContact CA-O 3.42Å; M122-L129 HydrophobicContact CB-CD2 3.96Å; M122-L129 HydrophobicContact CG-CD2 4.34Å
123	K	82.6	Confident	70.1	Confident	95 Å²	95	76.9 Å²	76.9	41%	0.413	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	128.5	161.7	-171.1	174.8	-176.9	177.5	0	107.6	P126 P127 R128	K123-P126 VanDerWaalsContact O-O 3.09Å; K123-P127 CarbonylContact O-C 3.52Å; K123-P127 WeakPolarHBondContact O-CA 3.34Å; K123-R128 PolarHBondContact N-O 2.81Å; K123-R128 PolarHBondContact O-N 3.13Å
124	L	74.8	Confident	72.2	Confident	3 Å²	3	68.6 Å²	68.6	2%	0.016	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-17.2	-165.7	-74.2	168.1	0	0	0	114.8	F47 L80 T84 W94 M122 P127	F47-L124 HydrophobicContact CE1-CD1 3.68Å; L80-L124 HydrophobicContact CB-CD2 4.11Å; L80-L124 HydrophobicContact CD1-CD2 4.12Å; T84-L124 HydrophobicContact CG2-CB 3.61Å; T84-L124 HydrophobicContact CG2-CD1 3.41Å; T84-L124 VanDerWaalsContact CG2-CD1 3.41Å; T84-L124 HydrophobicContact CG2-CD2 4.22Å; T84-L124 HydrophobicContact CG2-CG 3.94Å; W94-L124 HydrophobicContact CD2-CD1 4.43Å; W94-L124 HydrophobicContact CG-CD1 3.95Å; W94-L124 VanDerWaalsContact NE1-CD1 3.3Å; M122-L124 HydrophobicContact CE-CD2 3.57Å; M122-L124 HydrophobicContact CG-CD2 4.34Å; M122-L124 HydrophobicContact SD-CD2 4.15Å; L124-P127 WeakPolarHBondContact O-CD 3.39Å
125	N	67.3	Low	73.7	Confident	76 Å²	76	67.4 Å²	67.4	41%	0.406	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.9	105.7	-178.4	-151.9	-1.4	0	0	0	113
126	P	62.4	Low	75.3	Confident	70 Å²	70	64.7 Å²	64.7	46%	0.455	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	cis	-66.4	152.8	-15.4	29.8	-34.6	0	0	0	111.4	K123 R128	K123-P126 VanDerWaalsContact O-O 3.09Å; P126-R128 HydrophobicContact CG-CG 4.46Å; P126-R128 PolarHBondContact O-N 2.85Å
127	P	69.1	Low	76.7	Confident	47 Å²	47	65.9 Å²	65.9	31%	0.305	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	108.6	-179.8	21.7	-30.7	0	0	0	110.8	K123 L124	K123-P127 CarbonylContact O-C 3.52Å; K123-P127 WeakPolarHBondContact O-CA 3.34Å; L124-P127 WeakPolarHBondContact O-CD 3.39Å
128	R	75.1	Confident	77.8	Confident	166 Å²	166	61.6 Å²	61.6	63%	0.626	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.8	129.1	179.5	-70.7	-175.8	-178.9	177.7	2.3	110.6	M122 K123 P126	M122-R128 WeakPolarHBondContact CA-O 3.42Å; K123-R128 PolarHBondContact N-O 2.81Å; K123-R128 PolarHBondContact O-N 3.13Å; P126-R128 HydrophobicContact CG-CG 4.46Å; P126-R128 PolarHBondContact O-N 2.85Å
129	L	78.8	Confident	78.6	Confident	58 Å²	58	57 Å²	57	30%	0.304	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	135.1	174	-68.7	165.7	0	0	0	109.9	V96 F100 T120 Y121 M122	V96-L129 HydrophobicContact CG2-CD2 4.41Å; F100-L129 HydrophobicContact CD1-CD1 3.49Å; F100-L129 VanDerWaalsContact CD1-CD1 3.49Å; F100-L129 HydrophobicContact CE1-CD1 3.75Å; F100-L129 HydrophobicContact CG-CD1 4.44Å; T120-L129 HydrophobicContact CG2-CB 4.32Å; T120-L129 HydrophobicContact CG2-CD2 4Å; Y121-L129 WeakPolarHBondContact O-CA 3.37Å; M122-L129 HydrophobicContact CB-CD2 3.96Å; M122-L129 HydrophobicContact CG-CD2 4.34Å
130	L	80.6	Confident	79.1	Confident	82 Å²	82	57 Å²	57	43%	0.429	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	157.9	-179.5	-66.6	168.7	0	0	0	108.9	T120 Y121	T120-L130 CarbonylContact C-O 3.58Å; T120-L130 WeakPolarHBondContact CA-O 3.47Å; Y121-L130 HydrophobicContact CD1-CB 4.3Å; Y121-L130 VanDerWaalsContact CD1-O 3.26Å; Y121-L130 WeakPolarHBondContact CD1-O 3.32Å; Y121-L130 HydrophobicContact CD2-CB 4.48Å; Y121-L130 HydrophobicContact CE1-CB 3.66Å; Y121-L130 HydrophobicContact CE2-CB 3.92Å; Y121-L130 HydrophobicContact CE2-CD1 4.02Å; Y121-L130 VanDerWaalsContact CZ-CB 3.46Å; Y121-L130 PolarHBondContact N-O 2.78Å; Y121-L130 PolarHBondContact O-N 3.19Å; Y121-L130 VanDerWaalsContact O-O 3.05Å
131	T	79.4	Confident	79.3	Confident	80 Å²	80	55.7 Å²	55.7	49%	0.491	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	141.9	175.7	53.2	0	0	0	0	110.5	C119	C119-T131 WeakPolarHBondContact O-CA 3.09Å
132	S	79.3	Confident	79.3	Confident	11 Å²	11	54.3 Å²	54.3	8%	0.077	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	166.1	171.3	63.3	0	0	0	0	111.1	C119 Y121 C134 R138	C119-S132 PolarHBondContact N-O 2.97Å; C119-S132 PolarHBondContact O-N 2.92Å; Y121-S132 WeakPolarHBondContact CD1-OG 3.38Å; Y121-S132 WeakPolarHBondContact CE1-OG 3.06Å; S132-C134 PolarHBondContact O-N 2.88Å; S132-R138 PolarHBondContact OG-NE 2.83Å; S132-R138 PolarHBondContact OG-NH2 3.48Å
133	D	77.6	Confident	79.3	Confident	31 Å²	31	55.1 Å²	55.1	17%	0.166	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-47.9	124.1	173.6	-169	-30.4	0	0	0	111.3	K116 S135 K136	K116-D133 WeakPolarHBondContact CD-OD2 3.5Å; K116-D133 VanDerWaalsContact CE-OD2 3.27Å; K116-D133 WeakPolarHBondContact CE-OD2 3.2Å; K116-D133 IonicContact NZ-OD2 3.37Å; D133-S135 PolarHBondContact O-N 3.31Å; D133-S135 VanDerWaalsContact O-N 3.12Å; D133-S135 WeakPolarHBondContact OD1-CB 3.46Å; D133-S135 PolarHBondContact OD1-N 2.93Å; D133-S135 PolarHBondContact OD1-OG 3.44Å; D133-S135 PolarHBondContact OD2-OG 2.89Å; D133-K136 HydrophobicContact CB-CG 4.49Å; D133-K136 WeakPolarHBondContact O-CB 3.28Å; D133-K136 PolarHBondContact O-N 3.4Å; D133-K136 VanDerWaalsContact O-N 3.08Å
134	C	78.1	Confident	79	Confident	11 Å²	11	51.3 Å²	51.3	7%	0.074	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.1	-177.3	-63.7	0	0	0	0	112.9	W54 E117 C119 S132 K136	W54-C134 HydrophobicContact CB-CB 4.31Å; W54-C134 PolarHBondContact N-O 3.48Å; E117-C134 HydrophobicContact CB-CB 4.05Å; E117-C134 WeakPolarHBondContact CB-SG 3.44Å; E117-C134 WeakPolarHBondContact O-CB 3.45Å; E117-C134 PolarHBondContact O-N 2.7Å; E117-C134 PolarHBondContact O-SG 3.27Å; C119-C134 HydrophobicContact CB-CB 3.93Å; C119-C134 WeakPolarHBondContact CB-SG 3.37Å; C119-C134 PolarHBondContact N-SG 3.08Å; C119-C134 WeakPolarHBondContact SG-CB 3.29Å; C119-C134 CovalentContact SG-SG 2.01Å; C119-C134 PolarHBondContact SG-SG 3.48Å; S132-C134 PolarHBondContact O-N 2.88Å; C134-K136 VanDerWaalsContact C-N 3.28Å; C134-K136 PolarHBondContact O-N 2.83Å
135	S	74.6	Confident	78.6	Confident	76 Å²	76	56.7 Å²	56.7	53%	0.531	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-15.1	176.4	63.7	0	0	0	0	113.7	D133	D133-S135 PolarHBondContact O-N 3.31Å; D133-S135 VanDerWaalsContact O-N 3.12Å; D133-S135 WeakPolarHBondContact OD1-CB 3.46Å; D133-S135 PolarHBondContact OD1-N 2.93Å; D133-S135 PolarHBondContact OD1-OG 3.44Å; D133-S135 PolarHBondContact OD2-OG 2.89Å
136	K	79.6	Confident	78.1	Confident	113 Å²	113	56.6 Å²	56.6	49%	0.491	29%	0.287	S	S	.	.	S	Bend	trans	-67.8	142.1	176.4	-69.2	-170.1	176.4	-172.5	0	110.7	W95 D133 C134	W95-K136 HydrophobicContact CZ2-CB 4.43Å; W95-K136 VanDerWaalsContact CZ2-O 3.24Å; W95-K136 WeakPolarHBondContact CZ2-O 3.15Å; D133-K136 HydrophobicContact CB-CG 4.49Å; D133-K136 WeakPolarHBondContact O-CB 3.28Å; D133-K136 PolarHBondContact O-N 3.4Å; D133-K136 VanDerWaalsContact O-N 3.08Å; C134-K136 VanDerWaalsContact C-N 3.28Å; C134-K136 PolarHBondContact O-N 2.83Å
137	R	83.5	Confident	77.3	Confident	168 Å²	168	58.7 Å²	58.7	63%	0.634	29%	0.291	S	S	*	.			trans	-91	129.3	175.3	-64.7	-171.9	176.8	-165.1	0.3	110	K52 T53	K52-R137 WeakPolarHBondContact O-CA 3.41Å; T53-R137 HydrophobicContact CG2-CG 4.21Å
138	R	86.8	Confident	75.6	Confident	39 Å²	39	62.6 Å²	62.6	15%	0.147	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	159.4	178.9	-60.5	-175.9	-177.4	-79.2	6.3	109.1	S51 K52 T93 W95 Y121 S132	S51-R138 CarbonylContact C-O 3.58Å; S51-R138 VanDerWaalsContact CA-O 3.3Å; S51-R138 WeakPolarHBondContact CA-O 3.25Å; K52-R138 PolarHBondContact N-O 3.48Å; K52-R138 PolarHBondContact O-N 3.25Å; K52-R138 VanDerWaalsContact O-N 3.14Å; T93-R138 WeakPolarHBondContact O-CB 3.45Å; T93-R138 WeakPolarHBondContact OG1-CD 3.45Å; T93-R138 PolarHBondContact OG1-NH1 3.06Å; W95-R138 HydrophobicContact CD2-CB 4.4Å; W95-R138 HydrophobicContact CG-CB 4.35Å; W95-R138 HydrophobicContact CZ2-CG 4.14Å; Y121-R138 VanDerWaalsContact CZ-NH2 3.32Å; S132-R138 PolarHBondContact OG-NE 2.83Å; S132-R138 PolarHBondContact OG-NH2 3.48Å
139	G	87.8	Confident	73.5	Confident	8 Å²	8	65.2 Å²	65.2	8%	0.082	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	168.8	169.4	0	0	0	0	0	110.6	V48 T93 W94 W95	V48-G139 WeakPolarHBondContact O-CA 3.46Å; T93-G139 PolarHBondContact O-N 3.34Å; W94-G139 CarbonylContact C-O 3.55Å; W94-G139 VanDerWaalsContact CA-O 3.25Å; W94-G139 WeakPolarHBondContact CA-O 3.29Å; W95-G139 PolarHBondContact N-O 3.01Å
140	F	89.4	Confident	71.3	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	154.2	179.7	56.8	-84.9	0	0	0	112.5	V48 E50 K52 A57 L68 W95	V48-F140 HydrophobicContact CB-CD1 4.25Å; V48-F140 HydrophobicContact CB-CD2 3.98Å; V48-F140 HydrophobicContact CB-CE1 3.91Å; V48-F140 HydrophobicContact CB-CE2 3.64Å; V48-F140 HydrophobicContact CB-CG 4.28Å; V48-F140 HydrophobicContact CB-CZ 3.61Å; V48-F140 HydrophobicContact CG1-CD1 4.43Å; V48-F140 HydrophobicContact CG1-CE1 3.65Å; V48-F140 HydrophobicContact CG1-CE2 3.94Å; V48-F140 HydrophobicContact CG1-CZ 3.38Å; V48-F140 HydrophobicContact CG2-CD2 4.13Å; V48-F140 HydrophobicContact CG2-CE2 3.65Å; V48-F140 HydrophobicContact CG2-CZ 4Å; V48-F140 PolarHBondContact N-O 3.42Å; V48-F140 PolarHBondContact O-N 3.26Å; V48-F140 VanDerWaalsContact O-N 3.16Å; E50-F140 WeakPolarHBondContact O-CE1 3.22Å; K52-F140 HydrophobicContact CB-CD1 4.31Å; K52-F140 HydrophobicContact CB-CE1 4.02Å; K52-F140 HydrophobicContact CD-CE1 3.73Å; K52-F140 HydrophobicContact CD-CZ 4.03Å; K52-F140 HydrophobicContact CG-CE1 3.88Å; A57-F140 HydrophobicContact CB-CB 3.67Å; A57-F140 HydrophobicContact CB-CD1 3.6Å; A57-F140 HydrophobicContact CB-CD2 4.02Å; A57-F140 HydrophobicContact CB-CE1 4.21Å; A57-F140 HydrophobicContact CB-CG 3.49Å; A57-F140 VanDerWaalsContact CB-CG 3.49Å; L68-F140 HydrophobicContact CD2-CB 3.82Å; W95-F140 HydrophobicContact CB-CB 4.08Å
141	L	88	Confident	68.8	Low	4 Å²	4	76.2 Å²	76.2	2%	0.021	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.3	-177.3	-158.2	83.1	0	0	0	110.1	L45 E46 F47 L68 L69 L80	L45-L141 HydrophobicContact CD2-CD2 3.52Å; L45-L141 HydrophobicContact CD2-CG 4.18Å; E46-L141 WeakPolarHBondContact O-CA 3.25Å; F47-L141 HydrophobicContact CB-CD1 4.25Å; F47-L141 HydrophobicContact CD1-CD1 3.18Å; F47-L141 HydrophobicContact CD2-CD1 3.71Å; F47-L141 HydrophobicContact CE1-CD1 3.22Å; F47-L141 HydrophobicContact CE2-CD1 3.76Å; F47-L141 HydrophobicContact CG-CD1 3.44Å; F47-L141 VanDerWaalsContact CG-CD1 3.44Å; F47-L141 HydrophobicContact CZ-CD1 3.53Å; L68-L141 WeakPolarHBondContact CA-O 3.38Å; L69-L141 HydrophobicContact CB-CB 4.33Å; L69-L141 HydrophobicContact CB-CD2 4.03Å; L69-L141 HydrophobicContact CD1-CD2 4.43Å; L69-L141 HydrophobicContact CD2-CD2 3.72Å; L69-L141 HydrophobicContact CG-CD2 4.26Å; L69-L141 PolarHBondContact N-O 3.44Å; L80-L141 HydrophobicContact CD2-CD2 4.03Å
142	C	85.6	Confident	66.7	Low	0 Å²	0	77 Å²	77	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	141.5	177.1	-56	0	0	0	0	111.1	L45 E46 C61 K67	L45-C142 WeakPolarHBondContact CA-O 2.98Å; E46-C142 HydrophobicContact CB-CB 4.29Å; E46-C142 PolarHBondContact N-O 3.47Å; E46-C142 PolarHBondContact O-N 3.39Å; C61-C142 WeakPolarHBondContact CA-SG 3.32Å; C61-C142 HydrophobicContact CB-CB 3.8Å; C61-C142 WeakPolarHBondContact CB-SG 3.27Å; C61-C142 VanDerWaalsContact SG-CA 3.52Å; C61-C142 WeakPolarHBondContact SG-CB 3.37Å; C61-C142 CovalentContact SG-SG 2.04Å; C61-C142 PolarHBondContact SG-SG 3.36Å; K67-C142 CarbonylContact O-C 3.57Å; K67-C142 VanDerWaalsContact O-CA 3.3Å; K67-C142 WeakPolarHBondContact O-CA 3.47Å
143	T	84.2	Confident	64.9	Low	20 Å²	20	85.1 Å²	85.1	12%	0.123	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	136.8	173.4	52.5	0	0	0	0	111.6	V43 C44 L45 G66 K67 L69	V43-T143 HydrophobicContact CG1-CG2 4.08Å; C44-T143 CarbonylContact O-C 3.55Å; C44-T143 WeakPolarHBondContact O-CA 3.2Å; L45-T143 HydrophobicContact CD2-CG2 3.54Å; L45-T143 HydrophobicContact CG-CG2 4.29Å; G66-T143 CarbonylContact C-O 3.54Å; G66-T143 WeakPolarHBondContact CA-O 2.98Å; K67-T143 PolarHBondContact N-O 3.23Å; K67-T143 PolarHBondContact O-N 3.47Å; K67-T143 PolarHBondContact O-OG1 3.01Å; L69-T143 HydrophobicContact CB-CG2 4.29Å; L69-T143 HydrophobicContact CD1-CG2 3.5Å; L69-T143 VanDerWaalsContact CD1-CG2 3.5Å
144	H	76.5	Confident	62.9	Low	15 Å²	15	88.4 Å²	88.4	7%	0.069	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	138.2	179.1	-53.4	-102.1	0	0	0	109	V43 C44 E46 R64 G65 G66	V43-H144 CarbonylContact C-O 3.4Å; V43-H144 VanDerWaalsContact CA-O 3.27Å; V43-H144 WeakPolarHBondContact CA-O 3.46Å; C44-H144 HydrophobicContact CB-CB 3.92Å; C44-H144 PolarHBondContact N-O 3.42Å; C44-H144 PolarHBondContact O-N 3.45Å; C44-H144 VanDerWaalsContact SG-CD2 3.51Å; E46-H144 IonicContact OE2-NE2 2.76Å; R64-H144 PolarHBondContact O-CE1 3.44Å; R64-H144 PolarHBondContact O-ND1 3.28Å; G65-H144 PolarHBondContact O-ND1 2.93Å; G66-H144 VanDerWaalsContact CA-CE1 3.45Å; G66-H144 WeakPolarHBondContact CA-CE1 3.49Å; G66-H144 WeakPolarHBondContact CA-ND1 3.4Å; G66-H144 PolarHBondContact N-CE1 3.4Å; G66-H144 PolarHBondContact N-ND1 3.42Å
145	N	66.1	Low	60.9	Low	115 Å²	115	97.2 Å²	97.2	62%	0.615	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	125.8	-177.6	-162.2	-6.9	0	0	0	109.9	D42	D42-N145 CarbonylContact O-C 3.54Å; D42-N145 PolarHBondContact O-OD1 3.04Å; D42-N145 VanDerWaalsContact O-OD1 3.1Å
146	L	57.5	Low	59.1	Low	74 Å²	74	97.4 Å²	97.4	39%	0.387	46%	0.458	S	S	.	.			trans	-91.6	-15	-172.3	-67	160.5	0	0	0	113.1	V39 D42 C44 V148	V39-L146 HydrophobicContact CB-CD1 4.05Å; V39-L146 HydrophobicContact CG1-CD1 3.26Å; V39-L146 HydrophobicContact CG2-CD1 3.6Å; D42-L146 HydrophobicContact CB-CB 4.43Å; D42-L146 WeakPolarHBondContact O-CB 3.26Å; D42-L146 PolarHBondContact O-N 3.3Å; C44-L146 HydrophobicContact CB-CD1 4.1Å; C44-L146 HydrophobicContact CB-CD2 4.35Å; C44-L146 HydrophobicContact CB-CG 4.19Å; L146-V148 PolarHBondContact O-N 2.93Å
147	Q	44.9	Very low	57.4	Low	115 Å²	115	96.2 Å²	96.2	54%	0.537	46%	0.461	S	S	.	.			trans	-90.8	86.9	173.1	-81.6	-171.5	7.2	0	0	111.7	D42	D42-Q147 HydrophobicContact CB-CB 4.38Å; D42-Q147 HydrophobicContact CB-CG 3.79Å; D42-Q147 VanDerWaalsContact CG-NE2 3.3Å; D42-Q147 VanDerWaalsContact OD2-CD 3.3Å; D42-Q147 PolarHBondContact OD2-NE2 3.22Å
148	V	34.9	Very low	55.4	Low	128 Å²	128	98.1 Å²	98.1	78%	0.776	47%	0.473	S	S	*	.			trans	-105	69.5	147.3	-171.6	0	0	0	0	107.3	L146	L146-V148 PolarHBondContact O-N 2.93Å
149	R	30.3	Very low	53.4	Low	221 Å²	221	106.3 Å²	106.3	83%	0.834	50%	0.504	S	S	*	.			trans	-87.2	125.6	159.8	-111.6	-176.7	-178.2	174.3	1.9	107.4	K151	R149-K151 PolarHBondContact O-N 2.79Å
150	Y	31.9	Very low	51.5	Low	187 Å²	187	107.2 Å²	107.2	73%	0.733	51%	0.508	S	S	*	.			trans	-41.3	104.6	166.5	-94	-95.7	0	0	0	111	E194	Y150-E194 PolarHBondContact OH-OE1 2.76Å
151	K	29.3	Very low	49.5	Very low	184 Å²	184	112.1 Å²	112.1	80%	0.8	53%	0.533	S	S	*	.			trans	-84.9	103.4	153	-88	-175.7	177.9	174.8	0	106.7	R149 H153	R149-K151 PolarHBondContact O-N 2.79Å; K151-H153 PolarHBondContact O-N 3.05Å
152	S	34.2	Very low	48	Very low	97 Å²	97	114.8 Å²	114.8	68%	0.678	55%	0.552	S	S	*	*	S	Bend	trans	-45.9	125.4	155.5	172.6	0	0	0	0	109.2
153	H	42.8	Very low	46.7	Very low	182 Å²	182	117.5 Å²	117.5	84%	0.843	57%	0.566	S	S	*	*			trans	68.4	65	169.5	-65.9	39.4	0	0	0	116.5	K151	K151-H153 PolarHBondContact O-N 3.05Å
154	S	34.5	Very low	46.2	Very low	100 Å²	100	117 Å²	117	70%	0.699	56%	0.563	S	S	*	*			trans	-92.6	106.2	143.1	61.4	0	0	0	0	109.1	W156	S154-W156 PolarHBondContact O-N 3.48Å
155	K	37.2	Very low	45.9	Very low	196 Å²	196	119.5 Å²	119.5	85%	0.852	58%	0.577	S	S	*	*			trans	-48.6	131.6	163.3	-77.7	177	174.3	177.6	0	108.8	T157	K155-T157 PolarHBondContact O-N 3.25Å
156	W	36	Very low	46.4	Very low	79 Å²	79	116.1 Å²	116.1	30%	0.299	56%	0.558	S	S	.	*			trans	-38.1	131.7	163.2	-82	40.1	0	0	0	109.8	S154 D160 P195 N199	S154-W156 PolarHBondContact O-N 3.48Å; W156-D160 HydrophobicContact CB-CB 4.03Å; W156-D160 HydrophobicContact CD2-CB 3.64Å; W156-D160 HydrophobicContact CE3-CB 3.08Å; W156-D160 HydrophobicContact CG-CB 4.1Å; W156-D160 HydrophobicContact CZ3-CB 3.6Å; W156-D160 WeakPolarHBondContact CZ3-O 3.22Å; W156-P195 HydrophobicContact CZ2-CB 4.35Å; W156-N199 VanDerWaalsContact CH2-ND2 3.29Å; W156-N199 WeakPolarHBondContact CH2-ND2 3.41Å; W156-N199 VanDerWaalsContact CZ2-ND2 3.27Å; W156-N199 WeakPolarHBondContact CZ2-ND2 3.24Å; W156-N199 WeakPolarHBondContact CZ3-ND2 3.22Å
157	T	43.7	Very low	47.6	Very low	88 Å²	88	112.6 Å²	112.6	54%	0.54	54%	0.539	S	S	.	.			trans	-69.1	157.7	175	60.4	0	0	0	0	109.2	K155 R159 D160	K155-T157 PolarHBondContact O-N 3.25Å; T157-R159 PolarHBondContact O-N 2.87Å; T157-D160 PolarHBondContact N-OD2 3.47Å; T157-D160 PolarHBondContact O-N 3.03Å; T157-D160 PolarHBondContact OG1-OD2 3.42Å
158	K	42	Very low	49.5	Very low	208 Å²	208	110.7 Å²	110.7	90%	0.904	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-10.9	177.3	-86.4	-177.4	173.4	-178.7	0	114.9
159	R	44.8	Very low	51.7	Low	211 Å²	211	111.7 Å²	111.7	80%	0.796	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-27.9	172.2	-85.8	-177.1	174.1	169.8	-2.5	113.4	T157 S162	T157-R159 PolarHBondContact O-N 2.87Å; R159-S162 WeakPolarHBondContact O-CB 3.03Å; R159-S162 PolarHBondContact O-N 2.81Å; R159-S162 VanDerWaalsContact O-N 3.13Å
160	D	47.1	Very low	54.3	Low	28 Å²	28	103.3 Å²	103.3	15%	0.15	50%	0.5	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-24.1	-173.5	-46.5	-39.4	0	0	0	111.6	W156 T157 S162 Y187	W156-D160 HydrophobicContact CB-CB 4.03Å; W156-D160 HydrophobicContact CD2-CB 3.64Å; W156-D160 HydrophobicContact CE3-CB 3.08Å; W156-D160 HydrophobicContact CG-CB 4.1Å; W156-D160 HydrophobicContact CZ3-CB 3.6Å; W156-D160 WeakPolarHBondContact CZ3-O 3.22Å; T157-D160 PolarHBondContact N-OD2 3.47Å; T157-D160 PolarHBondContact O-N 3.03Å; T157-D160 PolarHBondContact OG1-OD2 3.42Å; D160-S162 PolarHBondContact O-N 3.09Å; D160-Y187 PolarHBondContact OD1-OH 2.92Å; D160-Y187 VanDerWaalsContact OD1-OH 3.09Å
161	L	48.4	Very low	56.9	Low	102 Å²	102	95.2 Å²	95.2	53%	0.534	47%	0.47	S	S	.	.	H	α-helix	trans	-62.1	-27.2	166	-115.8	89.5	0	0	0	112.1	D163 D165	L161-D163 VanDerWaalsContact C-N 3.34Å; L161-D163 PolarHBondContact O-N 2.88Å; L161-D165 VanDerWaalsContact O-CB 3.23Å; L161-D165 WeakPolarHBondContact O-CB 3.42Å; L161-D165 PolarHBondContact O-N 2.93Å; L161-D165 VanDerWaalsContact O-N 3.12Å; L161-D165 VanDerWaalsContact O-OD2 3.11Å
162	S	55	Low	59.5	Low	60 Å²	60	93.1 Å²	93.1	42%	0.42	47%	0.467	S	S	.	.	H	α-helix	trans	-69.5	-23.3	-169	-166.7	0	0	0	0	114.3	R159 D160 Q166	R159-S162 WeakPolarHBondContact O-CB 3.03Å; R159-S162 PolarHBondContact O-N 2.81Å; R159-S162 VanDerWaalsContact O-N 3.13Å; D160-S162 PolarHBondContact O-N 3.09Å; S162-Q166 WeakPolarHBondContact O-CG 3.35Å; S162-Q166 PolarHBondContact O-N 2.87Å; S162-Q166 PolarHBondContact O-NE2 2.93Å
163	D	59.8	Low	62	Low	57 Å²	57	92 Å²	92	31%	0.305	45%	0.453	S	S	.	.	H	α-helix	trans	-91.9	-37.9	-176	-75.6	-19.5	0	0	0	112.6	L161 D165 Q166 M167	L161-D163 VanDerWaalsContact C-N 3.34Å; L161-D163 PolarHBondContact O-N 2.88Å; D163-D165 VanDerWaalsContact C-N 3.33Å; D163-Q166 WeakPolarHBondContact O-CB 3.5Å; D163-Q166 PolarHBondContact O-N 3.33Å; D163-Q166 VanDerWaalsContact O-N 3.15Å; D163-Q166 PolarHBondContact OD1-NE2 2.82Å; D163-M167 PolarHBondContact O-N 2.99Å
164	L	72.8	Confident	64.1	Low	11 Å²	11	84 Å²	84	6%	0.058	42%	0.417	C	S	.	.	H	α-helix	trans	-67.9	-35.8	168.9	-123.2	82	0	0	0	111.5	Q166 M167 I168 N199 K202 F203 Y206	L164-Q166 PolarHBondContact O-N 2.81Å; L164-M167 HydrophobicContact CD1-SD 4.39Å; L164-M167 WeakPolarHBondContact O-CB 3.44Å; L164-M167 PolarHBondContact O-N 2.86Å; L164-M167 VanDerWaalsContact O-N 3.13Å; L164-I168 PolarHBondContact O-N 3.21Å; L164-N199 HydrophobicContact CD2-CB 4.34Å; L164-N199 WeakPolarHBondContact CD2-O 3.49Å; L164-K202 HydrophobicContact CD2-CB 3.39Å; L164-K202 HydrophobicContact CD2-CD 4.22Å; L164-K202 HydrophobicContact CD2-CG 4.45Å; L164-F203 HydrophobicContact CD1-CB 4.44Å; L164-F203 HydrophobicContact CD1-CD2 4.33Å; L164-Y206 HydrophobicContact CD2-CE2 4.32Å; L164-Y206 HydrophobicContact CG-CE2 4.33Å; L164-Y206 WeakPolarHBondContact O-CE2 3Å
165	D	71.2	Confident	66.5	Low	66 Å²	66	82.9 Å²	82.9	35%	0.353	41%	0.406	S	S	.	.	H	α-helix	trans	-67.2	-20.6	172.4	-71.5	-21.7	0	0	0	112.4	L161 D163 I168 Q169	L161-D165 VanDerWaalsContact O-CB 3.23Å; L161-D165 WeakPolarHBondContact O-CB 3.42Å; L161-D165 PolarHBondContact O-N 2.93Å; L161-D165 VanDerWaalsContact O-N 3.12Å; L161-D165 VanDerWaalsContact O-OD2 3.11Å; D163-D165 VanDerWaalsContact C-N 3.33Å; D165-I168 WeakPolarHBondContact O-CG2 3.28Å; D165-Q169 VanDerWaalsContact O-CG 3.3Å; D165-Q169 WeakPolarHBondContact O-CG 3.45Å
166	Q	75	Confident	68.7	Low	45 Å²	45	74.2 Å²	74.2	21%	0.21	37%	0.372	C	S	.	.	H	α-helix	trans	-78.4	-32	169.5	-81.7	167	61.7	0	0	112.3	S162 D163 L164 Q169 N170 K180	S162-Q166 WeakPolarHBondContact O-CG 3.35Å; S162-Q166 PolarHBondContact O-N 2.87Å; S162-Q166 PolarHBondContact O-NE2 2.93Å; D163-Q166 WeakPolarHBondContact O-CB 3.5Å; D163-Q166 PolarHBondContact O-N 3.33Å; D163-Q166 VanDerWaalsContact O-N 3.15Å; D163-Q166 PolarHBondContact OD1-NE2 2.82Å; L164-Q166 PolarHBondContact O-N 2.81Å; Q166-Q169 PolarHBondContact O-N 3.33Å; Q166-N170 PolarHBondContact O-N 3.29Å; Q166-N170 PolarHBondContact O-ND2 3.1Å; Q166-K180 HydrophobicContact CB-CD 4.1Å; Q166-K180 VanDerWaalsContact OE1-CE 3.32Å
167	M	83.8	Confident	71.3	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-62.1	-46.3	173.6	-70.2	-178.5	66	0	0	110.8	D163 L164 Q169 N170 V171 L177 K180 A181 F203 Y206 L207	D163-M167 PolarHBondContact O-N 2.99Å; L164-M167 HydrophobicContact CD1-SD 4.39Å; L164-M167 WeakPolarHBondContact O-CB 3.44Å; L164-M167 PolarHBondContact O-N 2.86Å; L164-M167 VanDerWaalsContact O-N 3.13Å; M167-Q169 VanDerWaalsContact C-N 3.28Å; M167-Q169 PolarHBondContact O-N 3.47Å; M167-N170 CarbonylContact O-C 3.5Å; M167-N170 PolarHBondContact O-N 3.42Å; M167-V171 PolarHBondContact O-N 2.96Å; M167-L177 HydrophobicContact CB-CD1 3.97Å; M167-L177 HydrophobicContact CE-CD1 4.3Å; M167-L177 WeakPolarHBondContact O-CD1 3.41Å; M167-K180 HydrophobicContact CG-CB 3.92Å; M167-A181 HydrophobicContact CE-CB 3.71Å; M167-A181 HydrophobicContact SD-CB 4.46Å; M167-F203 HydrophobicContact CE-CD2 3.63Å; M167-F203 HydrophobicContact CE-CE2 3.66Å; M167-F203 HydrophobicContact CE-CG 4.19Å; M167-F203 HydrophobicContact CE-CZ 4.25Å; M167-F203 HydrophobicContact SD-CD2 3.42Å; M167-F203 WeakPolarHBondContact SD-CD2 2.97Å; M167-F203 HydrophobicContact SD-CE2 3.62Å; M167-F203 HydrophobicContact SD-CG 4.38Å; M167-Y206 HydrophobicContact CB-CD2 4.02Å; M167-L207 HydrophobicContact CE-CD2 4.42Å; M167-L207 HydrophobicContact CE-CG 4.02Å
168	I	84.3	Confident	73.4	Confident	75 Å²	75	66.8 Å²	66.8	39%	0.385	34%	0.335	S	S	.	.	H	α-helix	trans	-61.8	-35.6	179	-168.6	171.7	0	0	0	112.6	L164 D165 N170 V171 Y206	L164-I168 PolarHBondContact O-N 3.21Å; D165-I168 WeakPolarHBondContact O-CG2 3.28Å; I168-N170 PolarHBondContact O-N 3.5Å; I168-V171 HydrophobicContact CG1-CG2 4.47Å; I168-V171 WeakPolarHBondContact O-CG2 3.18Å; I168-V171 PolarHBondContact O-N 3.21Å; I168-Y206 HydrophobicContact CB-CD1 4.24Å; I168-Y206 HydrophobicContact CB-CD2 4.13Å; I168-Y206 HydrophobicContact CB-CE1 4.03Å; I168-Y206 HydrophobicContact CB-CE2 3.9Å; I168-Y206 HydrophobicContact CB-CG 4.3Å; I168-Y206 HydrophobicContact CD1-CD1 4.38Å; I168-Y206 HydrophobicContact CD1-CE1 3.67Å; I168-Y206 HydrophobicContact CG1-CD1 4.28Å; I168-Y206 HydrophobicContact CG1-CE1 4.02Å; I168-Y206 HydrophobicContact CG2-CE2 4.48Å
169	Q	82.6	Confident	75.6	Confident	149 Å²	149	60.3 Å²	60.3	70%	0.696	31%	0.313	S	S	*	.	H	α-helix	trans	-64.8	-26.2	176.1	-72	172.6	18.7	0	0	112.9	D165 Q166 M167	D165-Q169 VanDerWaalsContact O-CG 3.3Å; D165-Q169 WeakPolarHBondContact O-CG 3.45Å; Q166-Q169 PolarHBondContact O-N 3.33Å; M167-Q169 VanDerWaalsContact C-N 3.28Å; M167-Q169 PolarHBondContact O-N 3.47Å
170	N	83.9	Confident	77.6	Confident	44 Å²	44	52.5 Å²	52.5	24%	0.235	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	8.7	179.8	-69.6	-69.5	0	0	0	113.7	Q166 M167 I168 N172 D173 L177	Q166-N170 PolarHBondContact O-N 3.29Å; Q166-N170 PolarHBondContact O-ND2 3.1Å; M167-N170 CarbonylContact O-C 3.5Å; M167-N170 PolarHBondContact O-N 3.42Å; I168-N170 PolarHBondContact O-N 3.5Å; N170-N172 PolarHBondContact O-N 3.29Å; N170-D173 CarbonylContact O-C 3.48Å; N170-D173 VanDerWaalsContact O-C 3.3Å; N170-D173 WeakPolarHBondContact O-CA 3.4Å; N170-D173 PolarHBondContact O-N 3.27Å; N170-L177 HydrophobicContact CB-CB 4.29Å
171	V	85.7	Confident	79.6	Confident	17 Å²	17	51.2 Å²	51.2	10%	0.103	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-28.5	-178.8	163.6	0	0	0	0	113.3	M167 I168 L177 K209 G210 I213	M167-V171 PolarHBondContact O-N 2.96Å; I168-V171 HydrophobicContact CG1-CG2 4.47Å; I168-V171 WeakPolarHBondContact O-CG2 3.18Å; I168-V171 PolarHBondContact O-N 3.21Å; V171-L177 HydrophobicContact CG2-CD1 4.39Å; V171-K209 HydrophobicContact CG1-CB 3.88Å; V171-G210 WeakPolarHBondContact O-CA 3.41Å; V171-I213 HydrophobicContact CG1-CD1 3.68Å
172	N	84.7	Confident	81.5	Confident	140 Å²	140	50.8 Å²	50.8	75%	0.749	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-8.5	176.9	-63.3	-32.5	0	0	0	114.2	N170	N170-N172 PolarHBondContact O-N 3.29Å
173	D	87.5	Confident	82.8	Confident	73 Å²	73	52.4 Å²	52.4	39%	0.39	27%	0.274	S	S	.	.			trans	-122	98.4	175.5	174.6	5.7	0	0	0	109.7	N170 T175 G176 L177	N170-D173 CarbonylContact O-C 3.48Å; N170-D173 VanDerWaalsContact O-C 3.3Å; N170-D173 WeakPolarHBondContact O-CA 3.4Å; N170-D173 PolarHBondContact O-N 3.27Å; D173-T175 PolarHBondContact O-N 3.4Å; D173-T175 PolarHBondContact OD1-N 3.01Å; D173-T175 PolarHBondContact OD1-OG1 3.29Å; D173-G176 PolarHBondContact O-N 2.76Å; D173-G176 PolarHBondContact OD1-N 3.21Å; D173-L177 WeakPolarHBondContact O-CB 3.44Å; D173-L177 PolarHBondContact O-N 3.25Å
174	I	85.9	Confident	83.9	Confident	16 Å²	16	50 Å²	50	8%	0.082	26%	0.262	C	S	.	.	H	α-helix	trans	-59.4	-31.9	-177	-166.9	63.4	0	0	0	113.4	L177 L178 L214 F218 T225 I229	I174-L177 HydrophobicContact CD1-CD2 4.22Å; I174-L178 HydrophobicContact CD1-CG 4.44Å; I174-L178 HydrophobicContact CG1-CD1 4.18Å; I174-L178 HydrophobicContact CG1-CG 4.46Å; I174-L178 WeakPolarHBondContact O-CB 3.38Å; I174-L178 WeakPolarHBondContact O-CG 3.45Å; I174-L178 PolarHBondContact O-N 3.37Å; I174-L214 HydrophobicContact CB-CD2 3.75Å; I174-L214 HydrophobicContact CD1-CD1 3.88Å; I174-L214 HydrophobicContact CD1-CD2 4.41Å; I174-L214 HydrophobicContact CD1-CG 4.31Å; I174-L214 HydrophobicContact CG1-CD1 3.94Å; I174-L214 HydrophobicContact CG1-CD2 3.86Å; I174-L214 HydrophobicContact CG1-CG 4.27Å; I174-L214 HydrophobicContact CG2-CD2 3.81Å; I174-F218 HydrophobicContact CG2-CE1 3.74Å; I174-F218 HydrophobicContact CG2-CZ 3.97Å; I174-T225 HydrophobicContact CG1-CG2 3.69Å; I174-T225 HydrophobicContact CG2-CG2 4.23Å; I174-I229 HydrophobicContact CD1-CD1 4.04Å; I174-I229 HydrophobicContact CD1-CG1 4.48Å
175	T	84.5	Confident	84.4	Confident	75 Å²	75	50 Å²	50	46%	0.46	26%	0.262	S	S	.	.	H	α-helix	trans	-74.1	-43.6	-178.8	52.6	0	0	0	0	111	D173 T179	D173-T175 PolarHBondContact O-N 3.4Å; D173-T175 PolarHBondContact OD1-N 3.01Å; D173-T175 PolarHBondContact OD1-OG1 3.29Å; T175-T179 WeakPolarHBondContact O-CB 3.28Å; T175-T179 PolarHBondContact O-N 2.74Å; T175-T179 VanDerWaalsContact O-N 3.1Å; T175-T179 PolarHBondContact O-OG1 3.32Å
176	G	84.9	Confident	84.8	Confident	14 Å²	14	50.6 Å²	50.6	14%	0.144	27%	0.268	C	S	.	.	H	α-helix	trans	-62.5	-41.9	170.4	0	0	0	0	0	112.4	D173 T179 K180	D173-G176 PolarHBondContact O-N 2.76Å; D173-G176 PolarHBondContact OD1-N 3.21Å; G176-T179 PolarHBondContact O-N 2.91Å; G176-K180 WeakPolarHBondContact O-CB 3.35Å; G176-K180 VanDerWaalsContact O-CG 3.31Å; G176-K180 WeakPolarHBondContact O-CG 3.47Å; G176-K180 PolarHBondContact O-N 3.16Å
177	L	89.3	Confident	84.8	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.5	-47.6	179.6	-176.8	64.4	0	0	0	112.1	M167 N170 V171 D173 I174 K180 A181 L207	M167-L177 HydrophobicContact CB-CD1 3.97Å; M167-L177 HydrophobicContact CE-CD1 4.3Å; M167-L177 WeakPolarHBondContact O-CD1 3.41Å; N170-L177 HydrophobicContact CB-CB 4.29Å; V171-L177 HydrophobicContact CG2-CD1 4.39Å; D173-L177 WeakPolarHBondContact O-CB 3.44Å; D173-L177 PolarHBondContact O-N 3.25Å; I174-L177 HydrophobicContact CD1-CD2 4.22Å; L177-K180 PolarHBondContact O-N 3.48Å; L177-A181 WeakPolarHBondContact O-CB 3.38Å; L177-A181 PolarHBondContact O-N 2.87Å; L177-L207 HydrophobicContact CD2-CD2 4.36Å; L177-L207 HydrophobicContact CG-CD2 4.28Å
178	L	88.4	Confident	84.3	Confident	12 Å²	12	52.9 Å²	52.9	6%	0.063	28%	0.276	C	S	.	.	H	α-helix	trans	-67.4	-40.6	178.8	-75.8	173.7	0	0	0	112.2	I174 K180 A181 E182 L207 T225 I229	I174-L178 HydrophobicContact CD1-CG 4.44Å; I174-L178 HydrophobicContact CG1-CD1 4.18Å; I174-L178 HydrophobicContact CG1-CG 4.46Å; I174-L178 WeakPolarHBondContact O-CB 3.38Å; I174-L178 WeakPolarHBondContact O-CG 3.45Å; I174-L178 PolarHBondContact O-N 3.37Å; L178-K180 VanDerWaalsContact C-N 3.28Å; L178-K180 PolarHBondContact O-N 3.4Å; L178-A181 WeakPolarHBondContact O-CB 3.32Å; L178-A181 PolarHBondContact O-N 3.4Å; L178-A181 VanDerWaalsContact O-N 3.14Å; L178-E182 WeakPolarHBondContact O-CG 3.26Å; L178-E182 PolarHBondContact O-N 3.38Å; L178-L207 HydrophobicContact CD2-CD2 4.12Å; L178-T225 HydrophobicContact CD1-CG2 3.55Å; L178-I229 HydrophobicContact CD1-CG1 4.2Å; L178-I229 HydrophobicContact CD2-CG1 3.79Å; L178-I229 HydrophobicContact CG-CG1 4.4Å
179	T	87.6	Confident	83.6	Confident	72 Å²	72	55 Å²	55	44%	0.442	28%	0.284	S	S	.	.	H	α-helix	trans	-58.4	-44.6	175.2	-52.1	0	0	0	0	110.4	T175 G176 E182 E183	T175-T179 WeakPolarHBondContact O-CB 3.28Å; T175-T179 PolarHBondContact O-N 2.74Å; T175-T179 VanDerWaalsContact O-N 3.1Å; T175-T179 PolarHBondContact O-OG1 3.32Å; G176-T179 PolarHBondContact O-N 2.91Å; T179-E182 PolarHBondContact O-N 2.98Å; T179-E183 WeakPolarHBondContact O-CG 3.38Å; T179-E183 PolarHBondContact O-N 3.24Å
180	K	88.2	Confident	82.6	Confident	47 Å²	47	53 Å²	53	20%	0.204	28%	0.283	C	S	.	.	H	α-helix	trans	-69.3	-33.5	176.7	-68.7	-70.9	160.7	-165.5	0	113.2	Q166 M167 G176 L177 L178 E183 S184	Q166-K180 HydrophobicContact CB-CD 4.1Å; Q166-K180 VanDerWaalsContact OE1-CE 3.32Å; M167-K180 HydrophobicContact CG-CB 3.92Å; G176-K180 WeakPolarHBondContact O-CB 3.35Å; G176-K180 VanDerWaalsContact O-CG 3.31Å; G176-K180 WeakPolarHBondContact O-CG 3.47Å; G176-K180 PolarHBondContact O-N 3.16Å; L177-K180 PolarHBondContact O-N 3.48Å; L178-K180 VanDerWaalsContact C-N 3.28Å; L178-K180 PolarHBondContact O-N 3.4Å; K180-E183 WeakPolarHBondContact CD-OE2 3.47Å; K180-E183 WeakPolarHBondContact CE-OE2 3.35Å; K180-E183 IonicContact NZ-OE1 2.65Å; K180-E183 IonicContact NZ-OE2 2.71Å; K180-E183 PolarHBondContact NZ-OE2 3.16Å; K180-S184 VanDerWaalsContact O-CB 3.31Å; K180-S184 WeakPolarHBondContact O-CB 3.42Å; K180-S184 PolarHBondContact O-N 3.16Å; K180-S184 PolarHBondContact O-OG 2.87Å
181	A	88.3	Confident	81.4	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64.7	-45	174.7	0	0	0	0	0	111.5	M167 L177 L178 S184 L185 F203 L207	M167-A181 HydrophobicContact CE-CB 3.71Å; M167-A181 HydrophobicContact SD-CB 4.46Å; L177-A181 WeakPolarHBondContact O-CB 3.38Å; L177-A181 PolarHBondContact O-N 2.87Å; L178-A181 WeakPolarHBondContact O-CB 3.32Å; L178-A181 PolarHBondContact O-N 3.4Å; L178-A181 VanDerWaalsContact O-N 3.14Å; A181-S184 PolarHBondContact O-N 3.22Å; A181-L185 WeakPolarHBondContact O-CG 3.49Å; A181-L185 PolarHBondContact O-N 2.94Å; A181-F203 HydrophobicContact CB-CE2 3.99Å; A181-F203 HydrophobicContact CB-CZ 3.82Å; A181-L207 HydrophobicContact CB-CD2 4.02Å
182	E	87.3	Confident	79.4	Confident	94 Å²	94	59.7 Å²	59.7	44%	0.439	33%	0.33	S	S	.	.	H	α-helix	trans	-66.5	-42.6	177	-72.4	178.3	-175.4	0	0	112.1	L178 T179 S184 L185 T186	L178-E182 WeakPolarHBondContact O-CG 3.26Å; L178-E182 PolarHBondContact O-N 3.38Å; T179-E182 PolarHBondContact O-N 2.98Å; E182-S184 VanDerWaalsContact C-N 3.32Å; E182-S184 PolarHBondContact O-N 3.42Å; E182-L185 PolarHBondContact O-N 2.96Å; E182-T186 WeakPolarHBondContact O-CB 3.48Å; E182-T186 PolarHBondContact O-N 2.93Å; E182-T186 PolarHBondContact O-OG1 3.21Å
183	E	83.1	Confident	77.9	Confident	94 Å²	94	56 Å²	56	44%	0.439	32%	0.324	S	S	.	.	H	α-helix	trans	-58	-45.5	172.8	-76.3	175.3	-177.7	0	0	111.1	T179 K180 T186 Y187	T179-E183 WeakPolarHBondContact O-CG 3.38Å; T179-E183 PolarHBondContact O-N 3.24Å; K180-E183 WeakPolarHBondContact CD-OE2 3.47Å; K180-E183 WeakPolarHBondContact CE-OE2 3.35Å; K180-E183 IonicContact NZ-OE1 2.65Å; K180-E183 IonicContact NZ-OE2 2.71Å; K180-E183 PolarHBondContact NZ-OE2 3.16Å; E183-T186 PolarHBondContact O-N 3.33Å; E183-Y187 WeakPolarHBondContact O-CB 3.44Å; E183-Y187 PolarHBondContact O-N 2.76Å
184	S	83.5	Confident	76.4	Confident	7 Å²	7	57 Å²	57	5%	0.049	33%	0.326	C	S	.	.	H	α-helix	trans	-65	-42.5	179	-60.1	0	0	0	0	111.9	K180 A181 E182 Y187 M188	K180-S184 VanDerWaalsContact O-CB 3.31Å; K180-S184 WeakPolarHBondContact O-CB 3.42Å; K180-S184 PolarHBondContact O-N 3.16Å; K180-S184 PolarHBondContact O-OG 2.87Å; A181-S184 PolarHBondContact O-N 3.22Å; E182-S184 VanDerWaalsContact C-N 3.32Å; E182-S184 PolarHBondContact O-N 3.42Å; S184-Y187 PolarHBondContact O-N 3.4Å; S184-M188 WeakPolarHBondContact O-CB 3.39Å; S184-M188 WeakPolarHBondContact O-CE 3.46Å; S184-M188 WeakPolarHBondContact O-CG 3.41Å; S184-M188 PolarHBondContact O-N 2.83Å
185	L	83.5	Confident	75.5	Confident	10 Å²	10	56.7 Å²	56.7	5%	0.052	33%	0.326	C	S	.	.	H	α-helix	trans	-62.5	-47.4	175.5	-78.7	167	0	0	0	111.7	A181 E182 Y187 M188 E189 F203 C232 A235 M236 L239	A181-L185 WeakPolarHBondContact O-CG 3.49Å; A181-L185 PolarHBondContact O-N 2.94Å; E182-L185 PolarHBondContact O-N 2.96Å; L185-Y187 VanDerWaalsContact C-N 3.27Å; L185-Y187 PolarHBondContact O-N 2.92Å; L185-M188 HydrophobicContact CD2-CE 4.47Å; L185-M188 PolarHBondContact O-N 2.86Å; L185-M188 VanDerWaalsContact O-N 3.14Å; L185-E189 WeakPolarHBondContact O-CG 3.27Å; L185-E189 PolarHBondContact O-N 3.19Å; L185-F203 HydrophobicContact CD1-CE1 4.45Å; L185-F203 HydrophobicContact CD1-CZ 3.78Å; L185-F203 HydrophobicContact CD2-CZ 4.14Å; L185-F203 HydrophobicContact CG-CE1 4.46Å; L185-F203 HydrophobicContact CG-CE2 4.14Å; L185-F203 HydrophobicContact CG-CZ 3.67Å; L185-C232 HydrophobicContact CD1-CB 3.96Å; L185-A235 HydrophobicContact CD1-CB 3.93Å; L185-A235 HydrophobicContact CD2-CB 3.99Å; L185-M236 HydrophobicContact CD2-CB 4.32Å; L185-M236 HydrophobicContact CD2-CE 3.57Å; L185-M236 HydrophobicContact CG-CE 4.44Å; L185-L239 HydrophobicContact CD2-CD1 3.94Å
186	T	78.2	Confident	74.8	Confident	78 Å²	78	55.4 Å²	55.4	48%	0.479	32%	0.319	S	S	.	.	H	α-helix	trans	-61.1	-39.7	178	-53.2	0	0	0	0	111.1	E182 E183 E189 T190	E182-T186 WeakPolarHBondContact O-CB 3.48Å; E182-T186 PolarHBondContact O-N 2.93Å; E182-T186 PolarHBondContact O-OG1 3.21Å; E183-T186 PolarHBondContact O-N 3.33Å; T186-E189 PolarHBondContact O-N 3.5Å; T186-T190 HydrophobicContact CG2-CG2 4.39Å; T186-T190 WeakPolarHBondContact O-CB 3.28Å; T186-T190 VanDerWaalsContact O-CG2 3.25Å; T186-T190 WeakPolarHBondContact O-CG2 3.28Å; T186-T190 PolarHBondContact O-N 3.47Å; T186-T190 PolarHBondContact O-OG1 2.75Å
187	Y	75.5	Confident	74.1	Confident	76 Å²	76	58.4 Å²	58.4	30%	0.298	33%	0.332	S	S	.	.	H	α-helix	trans	-63.7	-45.5	174.6	177.8	-90.7	0	0	0	111.9	D160 E183 S184 L185 E189 T190 M191	D160-Y187 PolarHBondContact OD1-OH 2.92Å; D160-Y187 VanDerWaalsContact OD1-OH 3.09Å; E183-Y187 WeakPolarHBondContact O-CB 3.44Å; E183-Y187 PolarHBondContact O-N 2.76Å; S184-Y187 PolarHBondContact O-N 3.4Å; L185-Y187 VanDerWaalsContact C-N 3.27Å; L185-Y187 PolarHBondContact O-N 2.92Å; Y187-E189 VanDerWaalsContact C-N 3.28Å; Y187-E189 PolarHBondContact O-N 2.58Å; Y187-T190 PolarHBondContact O-N 3.19Å; Y187-T190 PolarHBondContact O-OG1 2.81Å; Y187-M191 HydrophobicContact CD1-CG 4.29Å; Y187-M191 HydrophobicContact CD2-CG 3.82Å; Y187-M191 HydrophobicContact CD2-SD 4.23Å; Y187-M191 HydrophobicContact CE1-CB 4.43Å; Y187-M191 HydrophobicContact CE1-CG 3.97Å; Y187-M191 HydrophobicContact CE1-SD 4.13Å; Y187-M191 HydrophobicContact CE2-CG 3.49Å; Y187-M191 VanDerWaalsContact CE2-CG 3.49Å; Y187-M191 HydrophobicContact CE2-SD 3.3Å; Y187-M191 WeakPolarHBondContact CE2-SD 3.44Å; Y187-M191 HydrophobicContact CG-CG 4.22Å; Y187-M191 WeakPolarHBondContact O-CB 3.5Å; Y187-M191 PolarHBondContact O-N 3.45Å; Y187-M191 PolarHBondContact OH-SD 3.21Å
188	M	74.3	Confident	73.5	Confident	18 Å²	18	64.1 Å²	64.1	9%	0.089	36%	0.358	C	S	.	.	H	α-helix	trans	-63	-32.2	176.6	-76.4	-179.8	-87.4	0	0	112.8	S184 L185 P195 F203 M236 L239	S184-M188 WeakPolarHBondContact O-CB 3.39Å; S184-M188 WeakPolarHBondContact O-CE 3.46Å; S184-M188 WeakPolarHBondContact O-CG 3.41Å; S184-M188 PolarHBondContact O-N 2.83Å; L185-M188 HydrophobicContact CD2-CE 4.47Å; L185-M188 PolarHBondContact O-N 2.86Å; L185-M188 VanDerWaalsContact O-N 3.14Å; M188-P195 HydrophobicContact CG-CB 4.24Å; M188-P195 HydrophobicContact CG-CG 4.31Å; M188-P195 HydrophobicContact SD-CB 3.68Å; M188-P195 HydrophobicContact SD-CG 3.86Å; M188-F203 HydrophobicContact CE-CD2 4.16Å; M188-F203 HydrophobicContact CE-CE2 4.26Å; M188-M236 HydrophobicContact CE-CE 3.28Å; M188-M236 HydrophobicContact SD-CE 3.7Å; M188-M236 HydrophobicContact SD-SD 4.44Å; M188-L239 HydrophobicContact CB-CD1 4.19Å
189	E	67.9	Low	73	Confident	119 Å²	119	64.4 Å²	64.4	56%	0.556	36%	0.36	S	S	*	.	H	α-helix	trans	-78.3	-25.2	175.7	-72.7	-179.4	168.8	0	0	113.5	L185 T186 Y187 L239	L185-E189 WeakPolarHBondContact O-CG 3.27Å; L185-E189 PolarHBondContact O-N 3.19Å; T186-E189 PolarHBondContact O-N 3.5Å; Y187-E189 VanDerWaalsContact C-N 3.28Å; Y187-E189 PolarHBondContact O-N 2.58Å; E189-L239 HydrophobicContact CG-CD2 4.2Å
190	T	63.3	Low	72.7	Confident	108 Å²	108	61.2 Å²	61.2	66%	0.663	34%	0.34	S	S	*	.	H	α-helix	trans	-104.6	-17.1	-172.6	55.8	0	0	0	0	114.8	T186 Y187	T186-T190 HydrophobicContact CG2-CG2 4.39Å; T186-T190 WeakPolarHBondContact O-CB 3.28Å; T186-T190 VanDerWaalsContact O-CG2 3.25Å; T186-T190 WeakPolarHBondContact O-CG2 3.28Å; T186-T190 PolarHBondContact O-N 3.47Å; T186-T190 PolarHBondContact O-OG1 2.75Å; Y187-T190 PolarHBondContact O-N 3.19Å; Y187-T190 PolarHBondContact O-OG1 2.81Å
191	M	58.6	Low	72.4	Confident	101 Å²	101	60.4 Å²	60.4	50%	0.498	34%	0.337	S	S	.	.	S	Bend	trans	-91.8	145.7	176	-73.1	-122.4	80.9	0	0	112.4	Y187 G193	Y187-M191 HydrophobicContact CD1-CG 4.29Å; Y187-M191 HydrophobicContact CD2-CG 3.82Å; Y187-M191 HydrophobicContact CD2-SD 4.23Å; Y187-M191 HydrophobicContact CE1-CB 4.43Å; Y187-M191 HydrophobicContact CE1-CG 3.97Å; Y187-M191 HydrophobicContact CE1-SD 4.13Å; Y187-M191 HydrophobicContact CE2-CG 3.49Å; Y187-M191 VanDerWaalsContact CE2-CG 3.49Å; Y187-M191 HydrophobicContact CE2-SD 3.3Å; Y187-M191 WeakPolarHBondContact CE2-SD 3.44Å; Y187-M191 HydrophobicContact CG-CG 4.22Å; Y187-M191 WeakPolarHBondContact O-CB 3.5Å; Y187-M191 PolarHBondContact O-N 3.45Å; Y187-M191 PolarHBondContact OH-SD 3.21Å; M191-G193 PolarHBondContact O-N 3.1Å
192	A	43.9	Very low	72.3	Confident	100 Å²	100	63.4 Å²	63.4	83%	0.826	35%	0.351	S	S	*	.	S	Bend	trans	-77.8	104.6	175.3	0	0	0	0	0	110.6
193	G	51.6	Low	72.4	Confident	61 Å²	61	59 Å²	59	63%	0.629	33%	0.33	S	S	*	.	S	Bend	trans	144.9	138.9	174.2	0	0	0	0	0	112.1	M191	M191-G193 PolarHBondContact O-N 3.1Å
194	E	57.3	Low	72.7	Confident	95 Å²	95	54.5 Å²	54.5	44%	0.444	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-75.2	139.4	-178.1	-65.3	176.3	166.1	0	0	111.9	Y150	Y150-E194 PolarHBondContact OH-OE1 2.76Å
195	P	66.6	Low	73	Confident	10 Å²	10	57.8 Å²	57.8	7%	0.065	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-67.1	136.8	171.5	23.6	-27.5	0	0	0	110.3	W156 M188 R200	W156-P195 HydrophobicContact CZ2-CB 4.35Å; M188-P195 HydrophobicContact CG-CB 4.24Å; M188-P195 HydrophobicContact CG-CG 4.31Å; M188-P195 HydrophobicContact SD-CB 3.68Å; M188-P195 HydrophobicContact SD-CG 3.86Å; P195-R200 HydrophobicContact CB-CG 4.24Å; P195-R200 HydrophobicContact CG-CG 4.28Å; P195-R200 VanDerWaalsContact O-CZ 3.24Å; P195-R200 PolarHBondContact O-NE 3.45Å; P195-R200 PolarHBondContact O-NH2 3.32Å
196	S	70.6	Confident	73.3	Confident	47 Å²	47	58.3 Å²	58.3	33%	0.329	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-65	152.4	179.3	70.2	0	0	0	0	112.1	E198 N199 R200	S196-E198 PolarHBondContact O-N 3.16Å; S196-N199 PolarHBondContact O-N 3.37Å; S196-N199 PolarHBondContact OG-N 2.93Å; S196-N199 PolarHBondContact OG-ND2 2.94Å; S196-R200 WeakPolarHBondContact O-CG 3.31Å; S196-R200 PolarHBondContact O-N 3.29Å
197	I	70.3	Confident	73.9	Confident	78 Å²	78	54.6 Å²	54.6	40%	0.4	30%	0.302	S	S	.	.	H	α-helix	trans	-48.5	-43.7	174.3	-65.2	178.7	0	0	0	111.6	N199 R200 N201 N251	I197-N199 PolarHBondContact O-N 3.16Å; I197-R200 PolarHBondContact O-N 3.41Å; I197-N201 PolarHBondContact O-N 3.39Å; I197-N201 VanDerWaalsContact O-N 3.08Å; I197-N251 HydrophobicContact CG2-CB 4.13Å; I197-N251 WeakPolarHBondContact CG2-ND2 2.88Å
198	E	76.4	Confident	74.5	Confident	120 Å²	120	51.7 Å²	51.7	56%	0.561	29%	0.292	S	S	*	.	H	α-helix	trans	-63.9	-39.9	178.9	-169	-176.1	163.6	0	0	112.7	S196 N201 K202	S196-E198 PolarHBondContact O-N 3.16Å; E198-N201 PolarHBondContact O-N 3.01Å; E198-K202 WeakPolarHBondContact O-CG 2.98Å; E198-K202 PolarHBondContact O-N 2.89Å; E198-K202 VanDerWaalsContact OE1-CE 3.31Å; E198-K202 WeakPolarHBondContact OE1-CE 3.42Å; E198-K202 IonicContact OE1-NZ 2.65Å; E198-K202 PolarHBondContact OE1-NZ 2.88Å
199	N	78	Confident	75.2	Confident	17 Å²	17	55.1 Å²	55.1	9%	0.091	31%	0.306	C	S	.	.	H	α-helix	trans	-71.4	-37.6	179.8	-70.1	-8.8	0	0	0	111.7	W156 L164 S196 I197 N201 K202 F203	W156-N199 VanDerWaalsContact CH2-ND2 3.29Å; W156-N199 WeakPolarHBondContact CH2-ND2 3.41Å; W156-N199 VanDerWaalsContact CZ2-ND2 3.27Å; W156-N199 WeakPolarHBondContact CZ2-ND2 3.24Å; W156-N199 WeakPolarHBondContact CZ3-ND2 3.22Å; L164-N199 HydrophobicContact CD2-CB 4.34Å; L164-N199 WeakPolarHBondContact CD2-O 3.49Å; S196-N199 PolarHBondContact O-N 3.37Å; S196-N199 PolarHBondContact OG-N 2.93Å; S196-N199 PolarHBondContact OG-ND2 2.94Å; I197-N199 PolarHBondContact O-N 3.16Å; N199-N201 VanDerWaalsContact C-N 3.35Å; N199-K202 PolarHBondContact O-N 2.99Å; N199-F203 WeakPolarHBondContact O-CB 3.47Å; N199-F203 PolarHBondContact O-N 2.8Å
200	R	80	Confident	76.1	Confident	6 Å²	6	49.5 Å²	49.5	2%	0.023	28%	0.28	C	S	.	.	H	α-helix	trans	-61.8	-43.5	173.6	-61.8	177.9	-163.4	171.5	1.7	111.2	P195 S196 I197 F203 I204 M236 E243 F254	P195-R200 HydrophobicContact CB-CG 4.24Å; P195-R200 HydrophobicContact CG-CG 4.28Å; P195-R200 VanDerWaalsContact O-CZ 3.24Å; P195-R200 PolarHBondContact O-NE 3.45Å; P195-R200 PolarHBondContact O-NH2 3.32Å; S196-R200 WeakPolarHBondContact O-CG 3.31Å; S196-R200 PolarHBondContact O-N 3.29Å; I197-R200 PolarHBondContact O-N 3.41Å; R200-F203 PolarHBondContact O-N 2.85Å; R200-I204 PolarHBondContact O-N 3.04Å; R200-M236 HydrophobicContact CB-SD 4.24Å; R200-M236 HydrophobicContact CG-SD 3.95Å; R200-E243 IonicContact CZ-OE1 2.72Å; R200-E243 IonicContact NH1-OE1 2.69Å; R200-E243 PolarHBondContact NH1-OE1 3.22Å; R200-E243 IonicContact NH2-OE1 3.32Å; R200-E243 PolarHBondContact NH2-OE1 3.41Å; R200-F254 HydrophobicContact CB-CD2 4.19Å; R200-F254 HydrophobicContact CB-CE2 3.86Å
201	N	81.9	Confident	77.3	Confident	29 Å²	29	44.4 Å²	44.4	16%	0.155	25%	0.249	C	C	.	.	H	α-helix	trans	-60.6	-49.4	175.8	-78.8	-12.1	0	0	0	112.1	I197 E198 N199 F203 I204 E205 N251 F254	I197-N201 PolarHBondContact O-N 3.39Å; I197-N201 VanDerWaalsContact O-N 3.08Å; E198-N201 PolarHBondContact O-N 3.01Å; N199-N201 VanDerWaalsContact C-N 3.35Å; N201-F203 VanDerWaalsContact C-N 3.32Å; N201-F203 PolarHBondContact O-N 3.31Å; N201-I204 PolarHBondContact O-N 3.29Å; N201-E205 WeakPolarHBondContact O-CB 3.12Å; N201-E205 PolarHBondContact O-N 3.18Å; N201-N251 VanDerWaalsContact CG-ND2 3.33Å; N201-N251 PolarHBondContact ND2-ND2 3.49Å; N201-N251 PolarHBondContact ND2-OD1 3.22Å; N201-N251 PolarHBondContact OD1-ND2 2.89Å; N201-F254 WeakPolarHBondContact OD1-CB 3.1Å; N201-F254 WeakPolarHBondContact OD1-CD2 3.24Å
202	K	85.8	Confident	78.6	Confident	64 Å²	64	45 Å²	45	28%	0.278	25%	0.249	S	C	.	.	H	α-helix	trans	-61.3	-39	178.6	-75.3	175.5	-174.7	167.1	0	112.5	L164 E198 N199 E205 Y206	L164-K202 HydrophobicContact CD2-CB 3.39Å; L164-K202 HydrophobicContact CD2-CD 4.22Å; L164-K202 HydrophobicContact CD2-CG 4.45Å; E198-K202 WeakPolarHBondContact O-CG 2.98Å; E198-K202 PolarHBondContact O-N 2.89Å; E198-K202 VanDerWaalsContact OE1-CE 3.31Å; E198-K202 WeakPolarHBondContact OE1-CE 3.42Å; E198-K202 IonicContact OE1-NZ 2.65Å; E198-K202 PolarHBondContact OE1-NZ 2.88Å; N199-K202 PolarHBondContact O-N 2.99Å; K202-E205 PolarHBondContact O-N 3.49Å; K202-Y206 HydrophobicContact CB-CE2 4.1Å; K202-Y206 WeakPolarHBondContact O-CB 3.36Å; K202-Y206 VanDerWaalsContact O-CD2 3.31Å; K202-Y206 WeakPolarHBondContact O-CD2 3.37Å; K202-Y206 PolarHBondContact O-N 3.39Å
203	F	90.2	Very high	80.6	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57.6	-51.6	177	-178.6	-86.4	0	0	0	111.8	L164 M167 A181 L185 M188 N199 R200 N201 Y206 L207 M236	L164-F203 HydrophobicContact CD1-CB 4.44Å; L164-F203 HydrophobicContact CD1-CD2 4.33Å; M167-F203 HydrophobicContact CE-CD2 3.63Å; M167-F203 HydrophobicContact CE-CE2 3.66Å; M167-F203 HydrophobicContact CE-CG 4.19Å; M167-F203 HydrophobicContact CE-CZ 4.25Å; M167-F203 HydrophobicContact SD-CD2 3.42Å; M167-F203 WeakPolarHBondContact SD-CD2 2.97Å; M167-F203 HydrophobicContact SD-CE2 3.62Å; M167-F203 HydrophobicContact SD-CG 4.38Å; A181-F203 HydrophobicContact CB-CE2 3.99Å; A181-F203 HydrophobicContact CB-CZ 3.82Å; L185-F203 HydrophobicContact CD1-CE1 4.45Å; L185-F203 HydrophobicContact CD1-CZ 3.78Å; L185-F203 HydrophobicContact CD2-CZ 4.14Å; L185-F203 HydrophobicContact CG-CE1 4.46Å; L185-F203 HydrophobicContact CG-CE2 4.14Å; L185-F203 HydrophobicContact CG-CZ 3.67Å; M188-F203 HydrophobicContact CE-CD2 4.16Å; M188-F203 HydrophobicContact CE-CE2 4.26Å; N199-F203 WeakPolarHBondContact O-CB 3.47Å; N199-F203 PolarHBondContact O-N 2.8Å; R200-F203 PolarHBondContact O-N 2.85Å; N201-F203 VanDerWaalsContact C-N 3.32Å; N201-F203 PolarHBondContact O-N 3.31Å; F203-Y206 PolarHBondContact O-N 3.47Å; F203-L207 HydrophobicContact CD1-CD1 3.83Å; F203-L207 HydrophobicContact CE1-CD1 3.28Å; F203-L207 HydrophobicContact CE1-CG 4.39Å; F203-L207 HydrophobicContact CZ-CD1 3.84Å; F203-L207 PolarHBondContact O-N 3.21Å; F203-L207 VanDerWaalsContact O-N 3.14Å; F203-M236 HydrophobicContact CB-CE 4.06Å; F203-M236 HydrophobicContact CD1-CB 4.06Å; F203-M236 HydrophobicContact CD1-CE 3.5Å; F203-M236 HydrophobicContact CD1-CG 3.84Å; F203-M236 HydrophobicContact CD1-SD 4.48Å; F203-M236 HydrophobicContact CD2-CE 3.71Å; F203-M236 HydrophobicContact CE1-CB 4.02Å; F203-M236 HydrophobicContact CE1-CE 3.76Å; F203-M236 HydrophobicContact CE1-CG 4.3Å; F203-M236 HydrophobicContact CE2-CE 3.96Å; F203-M236 HydrophobicContact CG-CE 3.48Å; F203-M236 VanDerWaalsContact CG-CE 3.48Å; F203-M236 HydrophobicContact CG-CG 4.5Å; F203-M236 HydrophobicContact CZ-CE 4Å
204	I	89.9	Confident	82.1	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.7	-40.5	178.1	-65.3	-61.3	0	0	0	111.1	R200 N201 Y206 L207 L208 M236 F254 N257 V258 L261	R200-I204 PolarHBondContact O-N 3.04Å; N201-I204 PolarHBondContact O-N 3.29Å; I204-Y206 VanDerWaalsContact C-N 3.35Å; I204-Y206 PolarHBondContact O-N 3.4Å; I204-L207 PolarHBondContact O-N 2.9Å; I204-L208 WeakPolarHBondContact O-CB 3.08Å; I204-L208 PolarHBondContact O-N 3.44Å; I204-M236 HydrophobicContact CD1-CB 4.07Å; I204-M236 HydrophobicContact CD1-CG 4.19Å; I204-M236 HydrophobicContact CG1-CG 4.24Å; I204-F254 HydrophobicContact CB-CE2 4.38Å; I204-F254 HydrophobicContact CD1-CE2 4.4Å; I204-F254 HydrophobicContact CG1-CD2 4.04Å; I204-F254 HydrophobicContact CG1-CE2 3.39Å; I204-F254 HydrophobicContact CG1-CZ 4.02Å; I204-N257 HydrophobicContact CG2-CB 3.69Å; I204-V258 HydrophobicContact CD1-CG2 3.85Å; I204-V258 HydrophobicContact CG1-CG2 3.9Å; I204-V258 HydrophobicContact CG2-CG2 4.04Å; I204-L261 HydrophobicContact CD1-CD2 4.43Å; I204-L261 HydrophobicContact CG2-CD2 4.41Å
205	E	88.4	Confident	83.1	Confident	77 Å²	77	43.6 Å²	43.6	36%	0.36	22%	0.215	S	C	.	.	H	α-helix	trans	-61	-41.9	178.5	-168.1	-169	156.2	0	0	112.1	N201 K202 L208 K209	N201-E205 WeakPolarHBondContact O-CB 3.12Å; N201-E205 PolarHBondContact O-N 3.18Å; K202-E205 PolarHBondContact O-N 3.49Å; E205-L208 PolarHBondContact O-N 2.99Å; E205-K209 WeakPolarHBondContact O-CG 3.44Å; E205-K209 PolarHBondContact O-N 2.86Å; E205-K209 WeakPolarHBondContact OE1-CE 3.31Å; E205-K209 IonicContact OE1-NZ 3.35Å; E205-K209 PolarHBondContact OE1-NZ 2.88Å
206	Y	90.6	Very high	83.6	Confident	21 Å²	21	46.3 Å²	46.3	8%	0.082	23%	0.231	C	C	.	.	H	α-helix	trans	-68.8	-41.7	177.9	-62.2	-20.4	0	0	0	112.1	L164 M167 I168 K202 F203 I204 L208 K209 G210	L164-Y206 HydrophobicContact CD2-CE2 4.32Å; L164-Y206 HydrophobicContact CG-CE2 4.33Å; L164-Y206 WeakPolarHBondContact O-CE2 3Å; M167-Y206 HydrophobicContact CB-CD2 4.02Å; I168-Y206 HydrophobicContact CB-CD1 4.24Å; I168-Y206 HydrophobicContact CB-CD2 4.13Å; I168-Y206 HydrophobicContact CB-CE1 4.03Å; I168-Y206 HydrophobicContact CB-CE2 3.9Å; I168-Y206 HydrophobicContact CB-CG 4.3Å; I168-Y206 HydrophobicContact CD1-CD1 4.38Å; I168-Y206 HydrophobicContact CD1-CE1 3.67Å; I168-Y206 HydrophobicContact CG1-CD1 4.28Å; I168-Y206 HydrophobicContact CG1-CE1 4.02Å; I168-Y206 HydrophobicContact CG2-CE2 4.48Å; K202-Y206 HydrophobicContact CB-CE2 4.1Å; K202-Y206 WeakPolarHBondContact O-CB 3.36Å; K202-Y206 VanDerWaalsContact O-CD2 3.31Å; K202-Y206 WeakPolarHBondContact O-CD2 3.37Å; K202-Y206 PolarHBondContact O-N 3.39Å; F203-Y206 PolarHBondContact O-N 3.47Å; I204-Y206 VanDerWaalsContact C-N 3.35Å; I204-Y206 PolarHBondContact O-N 3.4Å; Y206-L208 VanDerWaalsContact C-N 3.31Å; Y206-L208 PolarHBondContact O-N 2.73Å; Y206-K209 PolarHBondContact O-N 3.26Å; Y206-G210 PolarHBondContact O-N 3.11Å
207	L	90.3	Very high	83.8	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.3	-41.6	171.9	-80.3	173.9	0	0	0	111.8	M167 L177 L178 A181 F203 I204 G210 T211 C232 L261	M167-L207 HydrophobicContact CE-CD2 4.42Å; M167-L207 HydrophobicContact CE-CG 4.02Å; L177-L207 HydrophobicContact CD2-CD2 4.36Å; L177-L207 HydrophobicContact CG-CD2 4.28Å; L178-L207 HydrophobicContact CD2-CD2 4.12Å; A181-L207 HydrophobicContact CB-CD2 4.02Å; F203-L207 HydrophobicContact CD1-CD1 3.83Å; F203-L207 HydrophobicContact CE1-CD1 3.28Å; F203-L207 HydrophobicContact CE1-CG 4.39Å; F203-L207 HydrophobicContact CZ-CD1 3.84Å; F203-L207 PolarHBondContact O-N 3.21Å; F203-L207 VanDerWaalsContact O-N 3.14Å; I204-L207 PolarHBondContact O-N 2.9Å; L207-G210 PolarHBondContact O-N 3.24Å; L207-T211 WeakPolarHBondContact O-CB 3.47Å; L207-T211 PolarHBondContact O-N 2.7Å; L207-T211 PolarHBondContact O-OG1 2.96Å; L207-C232 HydrophobicContact CD1-CB 4Å; L207-L261 HydrophobicContact CB-CD1 4.46Å; L207-L261 HydrophobicContact CB-CD2 4.1Å
208	L	89.5	Confident	84.4	Confident	15 Å²	15	51.2 Å²	51.2	8%	0.079	24%	0.244	C	C	.	.	H	α-helix	trans	-63.5	-45.1	176.9	-176.5	64.4	0	0	0	112.1	I204 E205 Y206 T211 K212 E260 L261	I204-L208 WeakPolarHBondContact O-CB 3.08Å; I204-L208 PolarHBondContact O-N 3.44Å; E205-L208 PolarHBondContact O-N 2.99Å; Y206-L208 VanDerWaalsContact C-N 3.31Å; Y206-L208 PolarHBondContact O-N 2.73Å; L208-T211 PolarHBondContact O-N 2.03Å; L208-K212 HydrophobicContact CD1-CD 4.5Å; L208-K212 HydrophobicContact CG-CD 4.4Å; L208-K212 WeakPolarHBondContact O-CG 3.46Å; L208-K212 PolarHBondContact O-N 3.33Å; L208-E260 HydrophobicContact CD1-CG 4.1Å; L208-E260 HydrophobicContact CD2-CG 4.06Å; L208-L261 HydrophobicContact CB-CD1 4.2Å; L208-L261 HydrophobicContact CD1-CB 3.92Å; L208-L261 HydrophobicContact CD1-CD1 4.01Å
209	K	88.3	Confident	84.4	Confident	89 Å²	89	45.5 Å²	45.5	39%	0.387	22%	0.217	S	C	.	.	H	α-helix	trans	-59.4	-47.2	175.6	-75.9	175.7	-175.3	167.6	0	111.7	V171 E205 Y206 T211 K212 I213	V171-K209 HydrophobicContact CG1-CB 3.88Å; E205-K209 WeakPolarHBondContact O-CG 3.44Å; E205-K209 PolarHBondContact O-N 2.86Å; E205-K209 WeakPolarHBondContact OE1-CE 3.31Å; E205-K209 IonicContact OE1-NZ 3.35Å; E205-K209 PolarHBondContact OE1-NZ 2.88Å; Y206-K209 PolarHBondContact O-N 3.26Å; K209-T211 VanDerWaalsContact C-N 3.33Å; K209-T211 PolarHBondContact O-N 2.78Å; K209-K212 PolarHBondContact O-N 2.9Å; K209-I213 WeakPolarHBondContact O-CD1 3.44Å; K209-I213 WeakPolarHBondContact O-CG1 3.48Å; K209-I213 PolarHBondContact O-N 3.02Å
210	G	86.8	Confident	84.2	Confident	2 Å²	2	51.3 Å²	51.3	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-63.5	-39.7	177.7	0	0	0	0	0	112.6	V171 Y206 L207 K212 I213	V171-G210 WeakPolarHBondContact O-CA 3.41Å; Y206-G210 PolarHBondContact O-N 3.11Å; L207-G210 PolarHBondContact O-N 3.24Å; G210-K212 PolarHBondContact O-N 3.15Å; G210-I213 PolarHBondContact O-N 3.16Å
211	T	88.1	Confident	84.2	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65.2	-39	177.8	-53.8	0	0	0	0	112	L207 L208 K209 I213 L214 I229 L261 T264 A265 L268	L207-T211 WeakPolarHBondContact O-CB 3.47Å; L207-T211 PolarHBondContact O-N 2.7Å; L207-T211 PolarHBondContact O-OG1 2.96Å; L208-T211 PolarHBondContact O-N 2.03Å; K209-T211 VanDerWaalsContact C-N 3.33Å; K209-T211 PolarHBondContact O-N 2.78Å; T211-I213 PolarHBondContact O-N 2.92Å; T211-L214 HydrophobicContact CG2-CD1 4.37Å; T211-L214 WeakPolarHBondContact O-CB 3.41Å; T211-L214 PolarHBondContact O-N 2.96Å; T211-I229 HydrophobicContact CG2-CD1 4.18Å; T211-L261 HydrophobicContact CG2-CD1 4.28Å; T211-L261 WeakPolarHBondContact OG1-CD1 3.3Å; T211-T264 HydrophobicContact CG2-CG2 4.01Å; T211-A265 HydrophobicContact CG2-CB 4.19Å; T211-L268 HydrophobicContact CG2-CD1 4.05Å
212	K	85.9	Confident	84.1	Confident	114 Å²	114	58 Å²	58	50%	0.496	27%	0.274	S	S	.	.	H	α-helix	trans	-66.8	-21.9	178	-75.9	-175.8	176.4	-172.3	0	113.7	L208 K209 G210 E260 T264	L208-K212 HydrophobicContact CD1-CD 4.5Å; L208-K212 HydrophobicContact CG-CD 4.4Å; L208-K212 WeakPolarHBondContact O-CG 3.46Å; L208-K212 PolarHBondContact O-N 3.33Å; K209-K212 PolarHBondContact O-N 2.9Å; G210-K212 PolarHBondContact O-N 3.15Å; K212-E260 IonicContact NZ-OE1 2.75Å; K212-E260 PolarHBondContact NZ-OE1 2.93Å; K212-T264 HydrophobicContact CG-CG2 3.86Å
213	I	85.9	Confident	83.5	Confident	99 Å²	99	57 Å²	57	51%	0.508	27%	0.274	S	S	.	.	H	α-helix	trans	-84.4	-16.2	178.3	-63.1	164.6	0	0	0	111.5	V171 K209 G210 T211 N215	V171-I213 HydrophobicContact CG1-CD1 3.68Å; K209-I213 WeakPolarHBondContact O-CD1 3.44Å; K209-I213 WeakPolarHBondContact O-CG1 3.48Å; K209-I213 PolarHBondContact O-N 3.02Å; G210-I213 PolarHBondContact O-N 3.16Å; T211-I213 PolarHBondContact O-N 2.92Å; I213-N215 PolarHBondContact O-N 2.83Å
214	L	83.3	Confident	83	Confident	23 Å²	23	60.3 Å²	60.3	12%	0.12	30%	0.301	C	S	.	.			trans	-64.7	134	-177.2	-74.9	169.4	0	0	0	112.9	I174 T211 F218 I226 I229 L268	I174-L214 HydrophobicContact CB-CD2 3.75Å; I174-L214 HydrophobicContact CD1-CD1 3.88Å; I174-L214 HydrophobicContact CD1-CD2 4.41Å; I174-L214 HydrophobicContact CD1-CG 4.31Å; I174-L214 HydrophobicContact CG1-CD1 3.94Å; I174-L214 HydrophobicContact CG1-CD2 3.86Å; I174-L214 HydrophobicContact CG1-CG 4.27Å; I174-L214 HydrophobicContact CG2-CD2 3.81Å; T211-L214 HydrophobicContact CG2-CD1 4.37Å; T211-L214 WeakPolarHBondContact O-CB 3.41Å; T211-L214 PolarHBondContact O-N 2.96Å; L214-F218 HydrophobicContact CD2-CD1 3.8Å; L214-F218 HydrophobicContact CD2-CE1 4.01Å; L214-I226 HydrophobicContact CD1-CD1 4.04Å; L214-I229 HydrophobicContact CD1-CD1 3.86Å; L214-L268 HydrophobicContact CB-CD1 3.81Å; L214-L268 HydrophobicContact CD1-CD1 4.08Å
215	N	78.7	Confident	82.7	Confident	104 Å²	104	61.2 Å²	61.2	56%	0.556	31%	0.307	S	S	*	.			trans	-77.8	131.7	172.1	-174.1	-19.9	0	0	0	110.4	I213 K217 F218 A219	I213-N215 PolarHBondContact O-N 2.83Å; N215-K217 PolarHBondContact O-N 2.77Å; N215-K217 VanDerWaalsContact O-N 3.13Å; N215-K217 PolarHBondContact OD1-N 2.96Å; N215-F218 HydrophobicContact CB-CB 4.33Å; N215-F218 WeakPolarHBondContact O-CA 3.49Å; N215-F218 WeakPolarHBondContact O-CB 3.32Å; N215-F218 PolarHBondContact O-N 3.05Å; N215-A219 PolarHBondContact O-N 3.04Å
216	V	76.2	Confident	82.3	Confident	68 Å²	68	57.6 Å²	57.6	41%	0.412	29%	0.29	S	S	.	.	H	α-helix	trans	-47.9	-40.3	173.5	-178	0	0	0	0	112.2	F218 A219 R220 L268	V216-F218 VanDerWaalsContact C-N 3.34Å; V216-F218 PolarHBondContact O-N 3.22Å; V216-A219 PolarHBondContact O-N 3.32Å; V216-R220 WeakPolarHBondContact O-CB 3.01Å; V216-R220 PolarHBondContact O-N 3.37Å; V216-L268 HydrophobicContact CG2-CD2 3.92Å
217	K	76.5	Confident	81.8	Confident	149 Å²	149	58.3 Å²	58.3	65%	0.648	30%	0.295	S	S	*	.	H	α-helix	trans	-66.3	-35.4	179	-168.6	177.7	-178.5	-179.6	0	112.5	N215 N221	N215-K217 PolarHBondContact O-N 2.77Å; N215-K217 VanDerWaalsContact O-N 3.13Å; N215-K217 PolarHBondContact OD1-N 2.96Å; K217-N221 PolarHBondContact O-N 3.43Å
218	F	81.6	Confident	81.5	Confident	78 Å²	78	59.8 Å²	59.8	34%	0.342	31%	0.306	S	S	.	.	H	α-helix	trans	-72.2	-44.8	176.9	175.9	-88.2	0	0	0	111.2	I174 L214 N215 V216 R220 N221 N222 T225	I174-F218 HydrophobicContact CG2-CE1 3.74Å; I174-F218 HydrophobicContact CG2-CZ 3.97Å; L214-F218 HydrophobicContact CD2-CD1 3.8Å; L214-F218 HydrophobicContact CD2-CE1 4.01Å; N215-F218 HydrophobicContact CB-CB 4.33Å; N215-F218 WeakPolarHBondContact O-CA 3.49Å; N215-F218 WeakPolarHBondContact O-CB 3.32Å; N215-F218 PolarHBondContact O-N 3.05Å; V216-F218 VanDerWaalsContact C-N 3.34Å; V216-F218 PolarHBondContact O-N 3.22Å; F218-R220 VanDerWaalsContact C-N 3.34Å; F218-R220 PolarHBondContact O-N 3.35Å; F218-N221 PolarHBondContact O-N 2.88Å; F218-N222 HydrophobicContact CE1-CB 4.34Å; F218-N222 HydrophobicContact CZ-CB 4.46Å; F218-N222 PolarHBondContact O-N 3.23Å; F218-N222 PolarHBondContact O-ND2 3.2Å; F218-N222 VanDerWaalsContact O-ND2 3.13Å; F218-T225 HydrophobicContact CE1-CG2 4.49Å
219	A	76.1	Confident	81.4	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.7	-40.7	179	0	0	0	0	0	112.3	N215 V216 N221 N222 I226 L268	N215-A219 PolarHBondContact O-N 3.04Å; V216-A219 PolarHBondContact O-N 3.32Å; A219-N221 VanDerWaalsContact C-N 3.29Å; A219-N221 PolarHBondContact O-N 3.38Å; A219-N222 CarbonylContact O-C 3.5Å; A219-N222 VanDerWaalsContact O-C 3.28Å; A219-N222 PolarHBondContact O-N 3.1Å; A219-I226 HydrophobicContact CB-CD1 4.01Å; A219-I226 HydrophobicContact CB-CG1 4.13Å; A219-L268 HydrophobicContact CB-CB 3.65Å; A219-L268 HydrophobicContact CB-CD1 4.49Å
220	R	73.6	Confident	81	Confident	140 Å²	140	55 Å²	55	53%	0.528	28%	0.284	S	S	.	.	H	α-helix	trans	-61	-36.8	175.9	-170.6	-178.2	-66.4	171.6	-1.6	112.9	V216 F218 Y271	V216-R220 WeakPolarHBondContact O-CB 3.01Å; V216-R220 PolarHBondContact O-N 3.37Å; F218-R220 VanDerWaalsContact C-N 3.34Å; F218-R220 PolarHBondContact O-N 3.35Å; R220-Y271 HydrophobicContact CG-CE1 4.17Å; R220-Y271 PolarHBondContact O-OH 3.4Å
221	N	80	Confident	80.8	Confident	112 Å²	112	60.2 Å²	60.2	60%	0.599	31%	0.306	S	S	*	.	H	α-helix	trans	-81.5	-20.2	179.6	-70.5	-6.6	0	0	0	112.9	K217 F218 A219 P223	K217-N221 PolarHBondContact O-N 3.43Å; F218-N221 PolarHBondContact O-N 2.88Å; A219-N221 VanDerWaalsContact C-N 3.29Å; A219-N221 PolarHBondContact O-N 3.38Å; N221-P223 VanDerWaalsContact C-CD 3.41Å; N221-P223 WeakPolarHBondContact O-CD 3.21Å
222	N	80.1	Confident	80.8	Confident	64 Å²	64	60.4 Å²	60.4	34%	0.342	31%	0.307	S	S	.	.			trans	-127.4	64.8	-178.2	-61.4	-80.3	0	0	0	111.4	F218 A219 A224 T225	F218-N222 HydrophobicContact CE1-CB 4.34Å; F218-N222 HydrophobicContact CZ-CB 4.46Å; F218-N222 PolarHBondContact O-N 3.23Å; F218-N222 PolarHBondContact O-ND2 3.2Å; F218-N222 VanDerWaalsContact O-ND2 3.13Å; A219-N222 CarbonylContact O-C 3.5Å; A219-N222 VanDerWaalsContact O-C 3.28Å; A219-N222 PolarHBondContact O-N 3.1Å; N222-A224 PolarHBondContact O-N 3.25Å; N222-A224 VanDerWaalsContact O-N 3.14Å; N222-T225 WeakPolarHBondContact O-CB 3.22Å; N222-T225 PolarHBondContact O-N 2.93Å; N222-T225 PolarHBondContact O-OG1 2.81Å
223	P	73.8	Confident	80.8	Confident	42 Å²	42	55 Å²	55	27%	0.273	28%	0.284	S	S	.	.	H	α-helix	trans	-63	-23.3	-176.7	23.6	-33.4	0	0	0	114	N221 T225 I226 D227 L269	N221-P223 VanDerWaalsContact C-CD 3.41Å; N221-P223 WeakPolarHBondContact O-CD 3.21Å; P223-T225 VanDerWaalsContact C-N 3.32Å; P223-I226 PolarHBondContact O-N 2.82Å; P223-D227 PolarHBondContact O-N 3.42Å; P223-L269 HydrophobicContact CB-CD2 4.2Å
224	A	79.4	Confident	80.5	Confident	69 Å²	69	50.7 Å²	50.7	57%	0.57	26%	0.262	S	S	*	.	H	α-helix	trans	-66.3	-33.7	175.7	0	0	0	0	0	112.1	N222 I226 D227 S228	N222-A224 PolarHBondContact O-N 3.25Å; N222-A224 VanDerWaalsContact O-N 3.14Å; A224-I226 VanDerWaalsContact C-N 3.31Å; A224-I226 PolarHBondContact O-N 2.84Å; A224-D227 PolarHBondContact O-N 2.62Å; A224-S228 PolarHBondContact O-N 2.97Å; A224-S228 PolarHBondContact O-OG 2.94Å
225	T	83.3	Confident	80.4	Confident	20 Å²	20	50.8 Å²	50.8	12%	0.123	27%	0.266	C	S	.	.	H	α-helix	trans	-61.6	-41.4	177.9	-54.7	0	0	0	0	111.1	I174 L178 F218 N222 P223 S228 I229	I174-T225 HydrophobicContact CG1-CG2 3.69Å; I174-T225 HydrophobicContact CG2-CG2 4.23Å; L178-T225 HydrophobicContact CD1-CG2 3.55Å; F218-T225 HydrophobicContact CE1-CG2 4.49Å; N222-T225 WeakPolarHBondContact O-CB 3.22Å; N222-T225 PolarHBondContact O-N 2.93Å; N222-T225 PolarHBondContact O-OG1 2.81Å; P223-T225 VanDerWaalsContact C-N 3.32Å; T225-S228 PolarHBondContact O-N 3.1Å; T225-I229 WeakPolarHBondContact O-CG1 3.41Å; T225-I229 PolarHBondContact O-N 2.85Å
226	I	81.3	Confident	80.6	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-71.9	-38.1	179.2	-56.3	-58.4	0	0	0	111.7	L214 A219 P223 A224 S228 I229 I230 A265 L268 L269	L214-I226 HydrophobicContact CD1-CD1 4.04Å; A219-I226 HydrophobicContact CB-CD1 4.01Å; A219-I226 HydrophobicContact CB-CG1 4.13Å; P223-I226 PolarHBondContact O-N 2.82Å; A224-I226 VanDerWaalsContact C-N 3.31Å; A224-I226 PolarHBondContact O-N 2.84Å; I226-S228 VanDerWaalsContact C-N 3.3Å; I226-S228 PolarHBondContact O-N 3.4Å; I226-I229 HydrophobicContact CD1-CD1 3.85Å; I226-I229 WeakPolarHBondContact O-CB 3.28Å; I226-I229 PolarHBondContact O-N 2.89Å; I226-I230 HydrophobicContact CG2-CD1 4.29Å; I226-I230 WeakPolarHBondContact O-CG1 3.42Å; I226-I230 PolarHBondContact O-N 2.76Å; I226-A265 HydrophobicContact CG2-CB 3.95Å; I226-A265 WeakPolarHBondContact CG2-O 3.35Å; I226-L268 HydrophobicContact CD1-CB 4.41Å; I226-L268 HydrophobicContact CD1-CD1 4.11Å; I226-L269 HydrophobicContact CB-CD1 3.6Å; I226-L269 HydrophobicContact CB-CD2 4.01Å; I226-L269 HydrophobicContact CB-CG 3.83Å; I226-L269 HydrophobicContact CG1-CD1 4.18Å; I226-L269 HydrophobicContact CG1-CD2 3.72Å; I226-L269 HydrophobicContact CG1-CG 3.81Å; I226-L269 HydrophobicContact CG2-CD1 3.28Å; I226-L269 HydrophobicContact CG2-CD2 4.41Å; I226-L269 HydrophobicContact CG2-CG 3.67Å
227	D	78.8	Confident	80.7	Confident	36 Å²	36	43.1 Å²	43.1	19%	0.193	22%	0.223	C	C	.	.	H	α-helix	trans	-59.8	-41.5	172.5	-174	57.8	0	0	0	111.4	P223 A224 I230 K231 T277	P223-D227 PolarHBondContact O-N 3.42Å; A224-D227 PolarHBondContact O-N 2.62Å; D227-I230 PolarHBondContact O-N 3.2Å; D227-K231 WeakPolarHBondContact O-CB 3.45Å; D227-K231 VanDerWaalsContact O-CG 3.31Å; D227-K231 WeakPolarHBondContact O-CG 3.48Å; D227-K231 PolarHBondContact O-N 2.82Å; D227-K231 WeakPolarHBondContact OD2-CE 3.28Å; D227-K231 IonicContact OD2-NZ 3.48Å; D227-K231 PolarHBondContact OD2-NZ 3.06Å; D227-T277 WeakPolarHBondContact OD1-CG2 3.27Å
228	S	84.1	Confident	80.7	Confident	31 Å²	31	41.4 Å²	41.4	22%	0.217	21%	0.213	C	C	.	.	H	α-helix	trans	-62.6	-38.9	172.6	-70.2	0	0	0	0	113.1	A224 T225 I226 K231 C232	A224-S228 PolarHBondContact O-N 2.97Å; A224-S228 PolarHBondContact O-OG 2.94Å; T225-S228 PolarHBondContact O-N 3.1Å; I226-S228 VanDerWaalsContact C-N 3.3Å; I226-S228 PolarHBondContact O-N 3.4Å; S228-K231 PolarHBondContact O-N 2.83Å; S228-C232 WeakPolarHBondContact O-CB 3.39Å; S228-C232 PolarHBondContact O-N 2.99Å; S228-C232 PolarHBondContact O-SG 3.05Å
229	I	87	Confident	80.4	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.2	-47.7	174.5	-66.5	165.7	0	0	0	110.4	I174 L178 T211 L214 T225 I226 K231 C232 S233 L261 A265	I174-I229 HydrophobicContact CD1-CD1 4.04Å; I174-I229 HydrophobicContact CD1-CG1 4.48Å; L178-I229 HydrophobicContact CD1-CG1 4.2Å; L178-I229 HydrophobicContact CD2-CG1 3.79Å; L178-I229 HydrophobicContact CG-CG1 4.4Å; T211-I229 HydrophobicContact CG2-CD1 4.18Å; L214-I229 HydrophobicContact CD1-CD1 3.86Å; T225-I229 WeakPolarHBondContact O-CG1 3.41Å; T225-I229 PolarHBondContact O-N 2.85Å; I226-I229 HydrophobicContact CD1-CD1 3.85Å; I226-I229 WeakPolarHBondContact O-CB 3.28Å; I226-I229 PolarHBondContact O-N 2.89Å; I229-K231 VanDerWaalsContact C-N 3.35Å; I229-C232 PolarHBondContact O-N 2.89Å; I229-S233 PolarHBondContact O-N 3.37Å; I229-S233 PolarHBondContact O-OG 3.19Å; I229-L261 HydrophobicContact CG2-CD1 3.81Å; I229-L261 HydrophobicContact CG2-CD2 4.39Å; I229-L261 HydrophobicContact CG2-CG 4.14Å; I229-A265 HydrophobicContact CG2-CB 4.27Å
230	I	81.4	Confident	80.3	Confident	3 Å²	3	39.8 Å²	39.8	2%	0.015	21%	0.209	C	C	.	.	H	α-helix	trans	-65.9	-38	179.2	-64.4	170.7	0	0	0	110.9	I226 D227 S233 N234 A265 T277 T279	I226-I230 HydrophobicContact CG2-CD1 4.29Å; I226-I230 WeakPolarHBondContact O-CG1 3.42Å; I226-I230 PolarHBondContact O-N 2.76Å; D227-I230 PolarHBondContact O-N 3.2Å; I230-S233 PolarHBondContact O-OG 2.76Å; I230-N234 WeakPolarHBondContact CG2-ND2 3.31Å; I230-N234 WeakPolarHBondContact O-CB 3.27Å; I230-N234 PolarHBondContact O-N 3.11Å; I230-N234 PolarHBondContact O-ND2 3.2Å; I230-A265 HydrophobicContact CG1-CB 4.28Å; I230-T277 HydrophobicContact CG2-CG2 3.97Å; I230-T279 HydrophobicContact CG2-CG2 4.48Å
231	K	82.8	Confident	79.9	Confident	111 Å²	111	35.1 Å²	35.1	48%	0.483	20%	0.195	S	C	.	.	H	α-helix	trans	-66	-44.8	175.7	-77.3	170.1	173.5	168.4	0	112.2	D227 S228 I229 S233 N234 A235	D227-K231 WeakPolarHBondContact O-CB 3.45Å; D227-K231 VanDerWaalsContact O-CG 3.31Å; D227-K231 WeakPolarHBondContact O-CG 3.48Å; D227-K231 PolarHBondContact O-N 2.82Å; D227-K231 WeakPolarHBondContact OD2-CE 3.28Å; D227-K231 IonicContact OD2-NZ 3.48Å; D227-K231 PolarHBondContact OD2-NZ 3.06Å; S228-K231 PolarHBondContact O-N 2.83Å; I229-K231 VanDerWaalsContact C-N 3.35Å; K231-S233 VanDerWaalsContact C-N 3.33Å; K231-S233 PolarHBondContact O-N 3.37Å; K231-N234 PolarHBondContact O-N 2.82Å; K231-A235 WeakPolarHBondContact O-CB 3.38Å; K231-A235 PolarHBondContact O-N 2.83Å
232	C	86.5	Confident	78.9	Confident	4 Å²	4	35.8 Å²	35.8	3%	0.027	20%	0.195	C	C	.	.	H	α-helix	trans	-62.4	-40.6	177.8	-70.5	0	0	0	0	111.9	L185 L207 S228 I229 A235 M236	L185-C232 HydrophobicContact CD1-CB 3.96Å; L207-C232 HydrophobicContact CD1-CB 4Å; S228-C232 WeakPolarHBondContact O-CB 3.39Å; S228-C232 PolarHBondContact O-N 2.99Å; S228-C232 PolarHBondContact O-SG 3.05Å; I229-C232 PolarHBondContact O-N 2.89Å; C232-A235 PolarHBondContact O-N 2.89Å; C232-M236 PolarHBondContact O-N 3.03Å; C232-M236 VanDerWaalsContact O-N 3.13Å
233	S	86.8	Confident	77.7	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-67.1	-42.3	177.6	69.3	0	0	0	0	112.3	I229 I230 K231 M236 L237	I229-S233 PolarHBondContact O-N 3.37Å; I229-S233 PolarHBondContact O-OG 3.19Å; I230-S233 PolarHBondContact O-OG 2.76Å; K231-S233 VanDerWaalsContact C-N 3.33Å; K231-S233 PolarHBondContact O-N 3.37Å; S233-M236 PolarHBondContact O-N 3.33Å; S233-L237 WeakPolarHBondContact O-CB 3.2Å; S233-L237 PolarHBondContact O-N 3.44Å
234	N	79.3	Confident	76.1	Confident	9 Å²	9	38.8 Å²	38.8	5%	0.048	22%	0.217	C	C	.	.	H	α-helix	trans	-67	-37	175.7	-83.2	-79.5	0	0	0	112.8	I230 K231 L237 R238 T279 L281	I230-N234 WeakPolarHBondContact CG2-ND2 3.31Å; I230-N234 WeakPolarHBondContact O-CB 3.27Å; I230-N234 PolarHBondContact O-N 3.11Å; I230-N234 PolarHBondContact O-ND2 3.2Å; K231-N234 PolarHBondContact O-N 2.82Å; N234-L237 PolarHBondContact O-N 3.4Å; N234-R238 PolarHBondContact O-N 3.14Å; N234-T279 HydrophobicContact CB-CG2 4.09Å; N234-T279 WeakPolarHBondContact ND2-CG2 3.4Å; N234-T279 PolarHBondContact OD1-OG1 3.42Å; N234-L281 WeakPolarHBondContact O-CD1 3.42Å
235	A	81.8	Confident	74.1	Confident	26 Å²	26	41.6 Å²	41.6	22%	0.215	22%	0.222	C	C	.	.	H	α-helix	trans	-62.5	-44	175.2	0	0	0	0	0	111.4	L185 K231 C232 R238 L239	L185-A235 HydrophobicContact CD1-CB 3.93Å; L185-A235 HydrophobicContact CD2-CB 3.99Å; K231-A235 WeakPolarHBondContact O-CB 3.38Å; K231-A235 PolarHBondContact O-N 2.83Å; C232-A235 PolarHBondContact O-N 2.89Å; A235-R238 WeakPolarHBondContact O-CB 3.37Å; A235-R238 PolarHBondContact O-N 2.92Å; A235-L239 PolarHBondContact O-N 2.92Å; A235-L239 VanDerWaalsContact O-N 3.07Å
236	M	83.6	Confident	72.1	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-65.5	-38.6	175.4	-169.2	52.9	68.3	0	0	112.4	L185 M188 R200 F203 I204 C232 S233 R238 L239 A240 F254	L185-M236 HydrophobicContact CD2-CB 4.32Å; L185-M236 HydrophobicContact CD2-CE 3.57Å; L185-M236 HydrophobicContact CG-CE 4.44Å; M188-M236 HydrophobicContact CE-CE 3.28Å; M188-M236 HydrophobicContact SD-CE 3.7Å; M188-M236 HydrophobicContact SD-SD 4.44Å; R200-M236 HydrophobicContact CB-SD 4.24Å; R200-M236 HydrophobicContact CG-SD 3.95Å; F203-M236 HydrophobicContact CB-CE 4.06Å; F203-M236 HydrophobicContact CD1-CB 4.06Å; F203-M236 HydrophobicContact CD1-CE 3.5Å; F203-M236 HydrophobicContact CD1-CG 3.84Å; F203-M236 HydrophobicContact CD1-SD 4.48Å; F203-M236 HydrophobicContact CD2-CE 3.71Å; F203-M236 HydrophobicContact CE1-CB 4.02Å; F203-M236 HydrophobicContact CE1-CE 3.76Å; F203-M236 HydrophobicContact CE1-CG 4.3Å; F203-M236 HydrophobicContact CE2-CE 3.96Å; F203-M236 HydrophobicContact CG-CE 3.48Å; F203-M236 VanDerWaalsContact CG-CE 3.48Å; F203-M236 HydrophobicContact CG-CG 4.5Å; F203-M236 HydrophobicContact CZ-CE 4Å; I204-M236 HydrophobicContact CD1-CB 4.07Å; I204-M236 HydrophobicContact CD1-CG 4.19Å; I204-M236 HydrophobicContact CG1-CG 4.24Å; C232-M236 PolarHBondContact O-N 3.03Å; C232-M236 VanDerWaalsContact O-N 3.13Å; S233-M236 PolarHBondContact O-N 3.33Å; M236-R238 VanDerWaalsContact C-N 3.32Å; M236-R238 PolarHBondContact O-N 2.89Å; M236-L239 PolarHBondContact O-N 2.99Å; M236-L239 HydrophobicContact SD-CD1 4.43Å; M236-A240 PolarHBondContact O-N 2.91Å; M236-F254 HydrophobicContact CB-CZ 4.41Å; M236-F254 HydrophobicContact CG-CE2 3.88Å; M236-F254 HydrophobicContact CG-CZ 3.76Å
237	L	78	Confident	70.2	Confident	11 Å²	11	56 Å²	56	6%	0.058	29%	0.29	C	S	.	.	H	α-helix	trans	-62.3	-39.5	173.7	-178	63.2	0	0	0	111.6	S233 N234 A240 V241 F254 F255 V258 L281 F333	S233-L237 WeakPolarHBondContact O-CB 3.2Å; S233-L237 PolarHBondContact O-N 3.44Å; N234-L237 PolarHBondContact O-N 3.4Å; L237-A240 WeakPolarHBondContact O-CB 3.44Å; L237-A240 PolarHBondContact O-N 3.15Å; L237-A240 VanDerWaalsContact O-N 3.17Å; L237-V241 HydrophobicContact CD1-CG2 4.4Å; L237-V241 WeakPolarHBondContact O-CG2 3.4Å; L237-V241 PolarHBondContact O-N 2.65Å; L237-V241 VanDerWaalsContact O-N 3.08Å; L237-F254 HydrophobicContact CD1-CD1 4.47Å; L237-F254 HydrophobicContact CD1-CE1 3.83Å; L237-F255 HydrophobicContact CD1-CD2 3.8Å; L237-F255 HydrophobicContact CD1-CE2 4.15Å; L237-F255 HydrophobicContact CD2-CD2 4.46Å; L237-F255 HydrophobicContact CD2-CE2 4.02Å; L237-V258 HydrophobicContact CD2-CG1 4.47Å; L237-L281 HydrophobicContact CB-CD1 3.96Å; L237-L281 HydrophobicContact CD2-CD1 3.93Å; L237-L281 HydrophobicContact CG-CD1 3.85Å; L237-F333 HydrophobicContact CD2-CD1 4.16Å; L237-F333 HydrophobicContact CD2-CE1 4.2Å
238	R	76.6	Confident	68.4	Low	113 Å²	113	64 Å²	64	43%	0.426	32%	0.319	S	S	.	.	H	α-helix	trans	-62.8	-45.6	176.8	-172.4	-179.8	176.7	-176.1	1.4	111.6	N234 A235 M236 A240 V241 Q242 L281	N234-R238 PolarHBondContact O-N 3.14Å; A235-R238 WeakPolarHBondContact O-CB 3.37Å; A235-R238 PolarHBondContact O-N 2.92Å; M236-R238 VanDerWaalsContact C-N 3.32Å; M236-R238 PolarHBondContact O-N 2.89Å; R238-A240 PolarHBondContact O-N 3.23Å; R238-V241 PolarHBondContact O-N 3.01Å; R238-Q242 HydrophobicContact CG-CG 4.49Å; R238-Q242 PolarHBondContact O-N 2.93Å; R238-L281 HydrophobicContact CB-CD1 3.85Å; R238-L281 HydrophobicContact CB-CD2 4.4Å; R238-L281 HydrophobicContact CB-CG 4.36Å; R238-L281 HydrophobicContact CG-CD2 4.38Å
239	L	75.2	Confident	66.7	Low	34 Å²	34	65.2 Å²	65.2	18%	0.178	32%	0.324	C	S	.	.	H	α-helix	trans	-60.5	-33.8	175.1	-72.1	171.8	0	0	0	111.9	L185 M188 E189 A235 M236	L185-L239 HydrophobicContact CD2-CD1 3.94Å; M188-L239 HydrophobicContact CB-CD1 4.19Å; E189-L239 HydrophobicContact CG-CD2 4.2Å; A235-L239 PolarHBondContact O-N 2.92Å; A235-L239 VanDerWaalsContact O-N 3.07Å; M236-L239 PolarHBondContact O-N 2.99Å; M236-L239 HydrophobicContact SD-CD1 4.43Å
240	A	72.9	Confident	65.1	Low	10 Å²	10	73 Å²	73	8%	0.083	36%	0.36	C	S	.	.	H	α-helix	trans	-73.4	-29.9	177.4	0	0	0	0	0	113.7	M236 L237 R238 N249 F254	M236-A240 PolarHBondContact O-N 2.91Å; L237-A240 WeakPolarHBondContact O-CB 3.44Å; L237-A240 PolarHBondContact O-N 3.15Å; L237-A240 VanDerWaalsContact O-N 3.17Å; R238-A240 PolarHBondContact O-N 3.23Å; A240-N249 PolarHBondContact O-ND2 3.3Å; A240-N249 VanDerWaalsContact O-ND2 3.14Å; A240-F254 HydrophobicContact CB-CD1 4.45Å; A240-F254 HydrophobicContact CB-CE1 3.77Å; A240-F254 HydrophobicContact CB-CZ 4.18Å
241	V	64.9	Low	64.2	Low	41 Å²	41	74.2 Å²	74.2	25%	0.248	37%	0.366	C	S	.	.	H	α-helix	trans	-87.4	-28.6	-175.7	171.4	0	0	0	0	113.6	L237 R238 E243 I335	L237-V241 HydrophobicContact CD1-CG2 4.4Å; L237-V241 WeakPolarHBondContact O-CG2 3.4Å; L237-V241 PolarHBondContact O-N 2.65Å; L237-V241 VanDerWaalsContact O-N 3.08Å; R238-V241 PolarHBondContact O-N 3.01Å; V241-E243 PolarHBondContact O-N 3.46Å; V241-I335 HydrophobicContact CB-CD1 4.35Å; V241-I335 HydrophobicContact CB-CG2 4.46Å; V241-I335 HydrophobicContact CG1-CB 4.27Å; V241-I335 HydrophobicContact CG1-CD1 3.65Å; V241-I335 HydrophobicContact CG1-CG1 3.79Å; V241-I335 HydrophobicContact CG1-CG2 3.68Å; V241-I335 HydrophobicContact CG2-CD1 4.4Å; V241-I335 HydrophobicContact CG2-CG2 3.86Å
242	Q	59.8	Low	63.4	Low	126 Å²	126	71.8 Å²	71.8	59%	0.589	36%	0.356	S	S	*	.			trans	-74.7	16.7	-175.7	-73.8	-174.1	-44.8	0	0	115.3	R238	R238-Q242 HydrophobicContact CG-CG 4.49Å; R238-Q242 PolarHBondContact O-N 2.93Å
243	E	55.5	Low	62.8	Low	38 Å²	38	77.7 Å²	77.7	18%	0.178	38%	0.383	C	S	.	.			trans	-70.5	141.2	177.3	-71.4	-177.7	179.6	0	0	112.2	R200 V241 D245 N249	R200-E243 IonicContact CZ-OE1 2.72Å; R200-E243 IonicContact NH1-OE1 2.69Å; R200-E243 PolarHBondContact NH1-OE1 3.22Å; R200-E243 IonicContact NH2-OE1 3.32Å; R200-E243 PolarHBondContact NH2-OE1 3.41Å; V241-E243 PolarHBondContact O-N 3.46Å; E243-D245 VanDerWaalsContact C-N 3.27Å; E243-D245 PolarHBondContact O-N 3.07Å; E243-N249 VanDerWaalsContact CD-ND2 3.33Å; E243-N249 VanDerWaalsContact OE2-CG 3.27Å; E243-N249 PolarHBondContact OE2-ND2 2.97Å
244	C	39.5	Very low	62.5	Low	132 Å²	132	78.1 Å²	78.1	89%	0.892	39%	0.385	S	S	*	.	S	Bend	trans	-81.9	3.1	177.3	-69.4	0	0	0	0	114
245	D	37.8	Very low	62.4	Low	128 Å²	128	78 Å²	78	68%	0.684	38%	0.384	S	S	*	.			trans	-122.3	84	178.3	-90.5	-30.6	0	0	0	110.5	E243 D247	E243-D245 VanDerWaalsContact C-N 3.27Å; E243-D245 PolarHBondContact O-N 3.07Å; D245-D247 PolarHBondContact O-N 2.72Å
246	F	41.5	Very low	62.2	Low	167 Å²	167	80 Å²	80	73%	0.732	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-15.7	-177.1	-130.1	-91.3	0	0	0	114	Y248	F246-Y248 PolarHBondContact O-N 2.95Å
247	D	40.3	Very low	62.1	Low	156 Å²	156	81.8 Å²	81.8	83%	0.834	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-8.5	-173.6	-85.3	-25.2	0	0	0	114.6	D245	D245-D247 PolarHBondContact O-N 2.72Å
248	Y	41.7	Very low	62.3	Low	203 Å²	203	81.2 Å²	81.2	80%	0.796	40%	0.398	S	S	*	.	S	Bend	trans	-127	7.5	-170.3	-98.5	-81.1	0	0	0	117.4	F246 Q250	F246-Y248 PolarHBondContact O-N 2.95Å; Y248-Q250 PolarHBondContact O-N 3.43Å
249	N	47.3	Very low	62.5	Low	58 Å²	58	76.8 Å²	76.8	31%	0.31	38%	0.383	S	S	.	.			trans	-94.2	68.1	-177.7	-135.1	-3.7	0	0	0	113.5	A240 E243 N251	A240-N249 PolarHBondContact O-ND2 3.3Å; A240-N249 VanDerWaalsContact O-ND2 3.14Å; E243-N249 VanDerWaalsContact CD-ND2 3.33Å; E243-N249 VanDerWaalsContact OE2-CG 3.27Å; E243-N249 PolarHBondContact OE2-ND2 2.97Å; N249-N251 PolarHBondContact O-N 3.06Å
250	Q	53.2	Low	62.9	Low	162 Å²	162	78.4 Å²	78.4	76%	0.757	39%	0.389	S	S	*	.			trans	-86.9	70.4	172.4	-71	-172.5	-0.9	0	0	111.8	Y248	Y248-Q250 PolarHBondContact O-N 3.43Å
251	N	62.7	Low	63.5	Low	29 Å²	29	78 Å²	78	16%	0.155	39%	0.385	C	S	.	.			trans	-115.8	58.7	171.9	-156.5	13.3	0	0	0	111.4	I197 N201 N249 Q253 F254	I197-N251 HydrophobicContact CG2-CB 4.13Å; I197-N251 WeakPolarHBondContact CG2-ND2 2.88Å; N201-N251 VanDerWaalsContact CG-ND2 3.33Å; N201-N251 PolarHBondContact ND2-ND2 3.49Å; N201-N251 PolarHBondContact ND2-OD1 3.22Å; N201-N251 PolarHBondContact OD1-ND2 2.89Å; N249-N251 PolarHBondContact O-N 3.06Å; N251-Q253 PolarHBondContact O-N 3.32Å; N251-F254 HydrophobicContact CB-CB 4.13Å; N251-F254 WeakPolarHBondContact ND2-CB 3.46Å; N251-F254 WeakPolarHBondContact O-CB 3.3Å; N251-F254 PolarHBondContact O-N 2.99Å
252	K	67.4	Low	64.2	Low	60 Å²	60	76.1 Å²	76.1	26%	0.261	37%	0.374	S	S	.	.	H	α-helix	trans	-46.5	-45.3	178	-67.1	175.9	173.4	179	0	112.2	F254 F255 D256 P339 E495	K252-F254 VanDerWaalsContact C-N 3.26Å; K252-F254 PolarHBondContact O-N 3.25Å; K252-F255 PolarHBondContact O-N 3.41Å; K252-F255 VanDerWaalsContact O-N 3.13Å; K252-D256 PolarHBondContact O-N 2.95Å; K252-D256 VanDerWaalsContact O-N 3.15Å; K252-P339 VanDerWaalsContact CE-CG 3.42Å; K252-E495 IonicContact NZ-OE2 2.74Å; K252-E495 PolarHBondContact NZ-OE2 2.95Å
253	Q	73.2	Confident	65.1	Low	128 Å²	128	71.9 Å²	71.9	60%	0.598	35%	0.354	S	S	*	.	H	α-helix	trans	-60	-31.8	-179.6	-170	174.4	13.9	0	0	113.6	N251 N257	N251-Q253 PolarHBondContact O-N 3.32Å; Q253-N257 WeakPolarHBondContact O-CB 3.36Å; Q253-N257 PolarHBondContact O-N 3.29Å; Q253-N257 VanDerWaalsContact O-N 3.09Å; Q253-N257 PolarHBondContact O-ND2 3.43Å; Q253-N257 VanDerWaalsContact O-ND2 3.11Å
254	F	79.9	Confident	66.4	Low	10 Å²	10	71.1 Å²	71.1	4%	0.044	35%	0.352	C	S	.	.	H	α-helix	trans	-62.9	-48.4	175.6	177.2	-104.8	0	0	0	111.4	R200 N201 I204 M236 L237 A240 N251 K252 N257 V258	R200-F254 HydrophobicContact CB-CD2 4.19Å; R200-F254 HydrophobicContact CB-CE2 3.86Å; N201-F254 WeakPolarHBondContact OD1-CB 3.1Å; N201-F254 WeakPolarHBondContact OD1-CD2 3.24Å; I204-F254 HydrophobicContact CB-CE2 4.38Å; I204-F254 HydrophobicContact CD1-CE2 4.4Å; I204-F254 HydrophobicContact CG1-CD2 4.04Å; I204-F254 HydrophobicContact CG1-CE2 3.39Å; I204-F254 HydrophobicContact CG1-CZ 4.02Å; M236-F254 HydrophobicContact CB-CZ 4.41Å; M236-F254 HydrophobicContact CG-CE2 3.88Å; M236-F254 HydrophobicContact CG-CZ 3.76Å; L237-F254 HydrophobicContact CD1-CD1 4.47Å; L237-F254 HydrophobicContact CD1-CE1 3.83Å; A240-F254 HydrophobicContact CB-CD1 4.45Å; A240-F254 HydrophobicContact CB-CE1 3.77Å; A240-F254 HydrophobicContact CB-CZ 4.18Å; N251-F254 HydrophobicContact CB-CB 4.13Å; N251-F254 WeakPolarHBondContact ND2-CB 3.46Å; N251-F254 WeakPolarHBondContact O-CB 3.3Å; N251-F254 PolarHBondContact O-N 2.99Å; K252-F254 VanDerWaalsContact C-N 3.26Å; K252-F254 PolarHBondContact O-N 3.25Å; F254-N257 PolarHBondContact O-N 3Å; F254-V258 HydrophobicContact CD1-CG2 4.49Å; F254-V258 HydrophobicContact CE1-CG2 4.14Å; F254-V258 HydrophobicContact CE2-CG2 4.49Å; F254-V258 HydrophobicContact CZ-CG2 4.13Å; F254-V258 WeakPolarHBondContact O-CG2 3.49Å; F254-V258 PolarHBondContact O-N 3.1Å
255	F	77.4	Confident	68.4	Low	5 Å²	5	64.8 Å²	64.8	2%	0.022	31%	0.309	C	S	.	.	H	α-helix	trans	-68.6	-41.6	-176.6	-170.4	-102.9	0	0	0	111.7	L237 K252 N257 V258 L259 F333 P337 Y338 L522	L237-F255 HydrophobicContact CD1-CD2 3.8Å; L237-F255 HydrophobicContact CD1-CE2 4.15Å; L237-F255 HydrophobicContact CD2-CD2 4.46Å; L237-F255 HydrophobicContact CD2-CE2 4.02Å; K252-F255 PolarHBondContact O-N 3.41Å; K252-F255 VanDerWaalsContact O-N 3.13Å; F255-N257 VanDerWaalsContact C-N 3.28Å; F255-N257 PolarHBondContact O-N 3.16Å; F255-V258 WeakPolarHBondContact O-CB 3.45Å; F255-V258 PolarHBondContact O-N 3.48Å; F255-L259 HydrophobicContact CD1-CD1 3.9Å; F255-L259 HydrophobicContact CD1-CG 4.05Å; F255-L259 HydrophobicContact CE1-CD1 3.49Å; F255-L259 VanDerWaalsContact CE1-CD1 3.49Å; F255-L259 HydrophobicContact CE1-CD2 3.9Å; F255-L259 HydrophobicContact CE1-CG 3.62Å; F255-L259 HydrophobicContact CZ-CD1 4.3Å; F255-L259 HydrophobicContact CZ-CD2 3.85Å; F255-L259 HydrophobicContact CZ-CG 4Å; F255-L259 PolarHBondContact O-N 3.43Å; F255-F333 HydrophobicContact CE2-CD1 4.41Å; F255-F333 HydrophobicContact CE2-CE1 4.45Å; F255-F333 HydrophobicContact CZ-CD1 4.41Å; F255-F333 HydrophobicContact CZ-CD2 4.09Å; F255-F333 HydrophobicContact CZ-CE1 4.44Å; F255-F333 HydrophobicContact CZ-CE2 4.13Å; F255-F333 HydrophobicContact CZ-CG 4.24Å; F255-F333 HydrophobicContact CZ-CZ 4.3Å; F255-P337 HydrophobicContact CB-CB 3.96Å; F255-P337 HydrophobicContact CB-CG 4.48Å; F255-P337 HydrophobicContact CD1-CB 3.73Å; F255-P337 HydrophobicContact CD1-CG 3.29Å; F255-P337 HydrophobicContact CD2-CB 3.34Å; F255-P337 HydrophobicContact CD2-CG 3.57Å; F255-P337 HydrophobicContact CE1-CB 4.06Å; F255-P337 HydrophobicContact CE1-CG 3.18Å; F255-P337 HydrophobicContact CE2-CB 3.73Å; F255-P337 HydrophobicContact CE2-CG 3.49Å; F255-P337 VanDerWaalsContact CE2-CG 3.49Å; F255-P337 HydrophobicContact CG-CB 3.36Å; F255-P337 HydrophobicContact CG-CG 3.49Å; F255-P337 VanDerWaalsContact CG-CG 3.49Å; F255-P337 HydrophobicContact CZ-CB 4.1Å; F255-P337 HydrophobicContact CZ-CG 3.33Å; F255-Y338 HydrophobicContact CD1-CE1 4.29Å; F255-Y338 AromaticContact CD1-CE2 3.88Å; F255-Y338 HydrophobicContact CD1-CE2 3.88Å; F255-Y338 AromaticContact CD1-CZ 3.66Å; F255-Y338 AromaticContact CE1-CE2 3.9Å; F255-Y338 HydrophobicContact CE1-CE2 3.9Å; F255-L522 HydrophobicContact CE1-CD1 4.48Å
256	D	77.9	Confident	70.1	Confident	69 Å²	69	59 Å²	59	37%	0.369	28%	0.278	S	S	.	.	H	α-helix	trans	-60.1	-40.3	174.8	-64	-25.7	0	0	0	111.5	K252 V258 L259 E260 Y338	K252-D256 PolarHBondContact O-N 2.95Å; K252-D256 VanDerWaalsContact O-N 3.15Å; D256-V258 VanDerWaalsContact C-N 3.34Å; D256-V258 PolarHBondContact O-N 3.41Å; D256-L259 PolarHBondContact O-N 3.36Å; D256-E260 WeakPolarHBondContact O-CB 3.37Å; D256-E260 PolarHBondContact O-N 3.39Å; D256-Y338 WeakPolarHBondContact OD1-CE1 3.35Å; D256-Y338 PolarHBondContact OD1-OH 3.29Å
257	N	82	Confident	71.8	Confident	37 Å²	37	53 Å²	53	20%	0.198	25%	0.254	C	S	.	.	H	α-helix	trans	-65.7	-34.6	174.7	-73.8	-26.2	0	0	0	112.7	I204 Q253 F254 F255 L261	I204-N257 HydrophobicContact CG2-CB 3.69Å; Q253-N257 WeakPolarHBondContact O-CB 3.36Å; Q253-N257 PolarHBondContact O-N 3.29Å; Q253-N257 VanDerWaalsContact O-N 3.09Å; Q253-N257 PolarHBondContact O-ND2 3.43Å; Q253-N257 VanDerWaalsContact O-ND2 3.11Å; F254-N257 PolarHBondContact O-N 3Å; F255-N257 VanDerWaalsContact C-N 3.28Å; F255-N257 PolarHBondContact O-N 3.16Å; N257-L261 VanDerWaalsContact O-CB 3.26Å; N257-L261 WeakPolarHBondContact O-CB 3.34Å; N257-L261 PolarHBondContact O-N 3.45Å
258	V	82.5	Confident	73.5	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.5	-44.5	174.4	171.2	0	0	0	0	110.7	I204 L237 F254 F255 D256 L261 I262	I204-V258 HydrophobicContact CD1-CG2 3.85Å; I204-V258 HydrophobicContact CG1-CG2 3.9Å; I204-V258 HydrophobicContact CG2-CG2 4.04Å; L237-V258 HydrophobicContact CD2-CG1 4.47Å; F254-V258 HydrophobicContact CD1-CG2 4.49Å; F254-V258 HydrophobicContact CE1-CG2 4.14Å; F254-V258 HydrophobicContact CE2-CG2 4.49Å; F254-V258 HydrophobicContact CZ-CG2 4.13Å; F254-V258 WeakPolarHBondContact O-CG2 3.49Å; F254-V258 PolarHBondContact O-N 3.1Å; F255-V258 WeakPolarHBondContact O-CB 3.45Å; F255-V258 PolarHBondContact O-N 3.48Å; D256-V258 VanDerWaalsContact C-N 3.34Å; D256-V258 PolarHBondContact O-N 3.41Å; V258-L261 WeakPolarHBondContact O-CB 3.47Å; V258-L261 PolarHBondContact O-N 2.99Å; V258-I262 HydrophobicContact CG1-CD1 3.88Å; V258-I262 WeakPolarHBondContact O-CG1 3.06Å; V258-I262 PolarHBondContact O-N 2.97Å
259	L	79.3	Confident	74.8	Confident	20 Å²	20	37.2 Å²	37.2	11%	0.105	18%	0.183	C	C	.	.	H	α-helix	trans	-60.7	-46.3	175.6	-71.2	-178.6	0	0	0	111.6	F255 D256 L261 I262 K263 F333 L522	F255-L259 HydrophobicContact CD1-CD1 3.9Å; F255-L259 HydrophobicContact CD1-CG 4.05Å; F255-L259 HydrophobicContact CE1-CD1 3.49Å; F255-L259 VanDerWaalsContact CE1-CD1 3.49Å; F255-L259 HydrophobicContact CE1-CD2 3.9Å; F255-L259 HydrophobicContact CE1-CG 3.62Å; F255-L259 HydrophobicContact CZ-CD1 4.3Å; F255-L259 HydrophobicContact CZ-CD2 3.85Å; F255-L259 HydrophobicContact CZ-CG 4Å; F255-L259 PolarHBondContact O-N 3.43Å; D256-L259 PolarHBondContact O-N 3.36Å; L259-L261 VanDerWaalsContact C-N 3.31Å; L259-L261 PolarHBondContact O-N 2.85Å; L259-I262 PolarHBondContact O-N 3.41Å; L259-K263 WeakPolarHBondContact O-CB 3.4Å; L259-K263 PolarHBondContact O-N 2.66Å; L259-F333 HydrophobicContact CD2-CE2 3.47Å; L259-F333 VanDerWaalsContact CD2-CE2 3.47Å; L259-F333 HydrophobicContact CD2-CZ 3.59Å; L259-L522 HydrophobicContact CD1-CD1 3.79Å
260	E	83.7	Confident	75.6	Confident	67 Å²	67	36.8 Å²	36.8	31%	0.313	18%	0.183	S	C	.	.	H	α-helix	trans	-63.4	-36.4	177.5	176.5	65.8	-179.1	0	0	111.9	L208 K212 D256 T264	L208-E260 HydrophobicContact CD1-CG 4.1Å; L208-E260 HydrophobicContact CD2-CG 4.06Å; K212-E260 IonicContact NZ-OE1 2.75Å; K212-E260 PolarHBondContact NZ-OE1 2.93Å; D256-E260 WeakPolarHBondContact O-CB 3.37Å; D256-E260 PolarHBondContact O-N 3.39Å; E260-T264 WeakPolarHBondContact O-CB 3.47Å; E260-T264 PolarHBondContact O-N 3.27Å; E260-T264 PolarHBondContact O-OG1 2.67Å
261	L	85.8	Confident	76	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-64.5	-48.1	173.3	176.9	65.1	0	0	0	111.6	I204 L207 L208 T211 I229 N257 V258 L259 K263 T264 A265	I204-L261 HydrophobicContact CD1-CD2 4.43Å; I204-L261 HydrophobicContact CG2-CD2 4.41Å; L207-L261 HydrophobicContact CB-CD1 4.46Å; L207-L261 HydrophobicContact CB-CD2 4.1Å; L208-L261 HydrophobicContact CB-CD1 4.2Å; L208-L261 HydrophobicContact CD1-CB 3.92Å; L208-L261 HydrophobicContact CD1-CD1 4.01Å; T211-L261 HydrophobicContact CG2-CD1 4.28Å; T211-L261 WeakPolarHBondContact OG1-CD1 3.3Å; I229-L261 HydrophobicContact CG2-CD1 3.81Å; I229-L261 HydrophobicContact CG2-CD2 4.39Å; I229-L261 HydrophobicContact CG2-CG 4.14Å; N257-L261 VanDerWaalsContact O-CB 3.26Å; N257-L261 WeakPolarHBondContact O-CB 3.34Å; N257-L261 PolarHBondContact O-N 3.45Å; V258-L261 WeakPolarHBondContact O-CB 3.47Å; V258-L261 PolarHBondContact O-N 2.99Å; L259-L261 VanDerWaalsContact C-N 3.31Å; L259-L261 PolarHBondContact O-N 2.85Å; L261-K263 VanDerWaalsContact C-N 3.31Å; L261-K263 PolarHBondContact O-N 3.37Å; L261-T264 PolarHBondContact O-N 2.88Å; L261-A265 WeakPolarHBondContact O-CB 3.47Å; L261-A265 PolarHBondContact O-N 3.07Å
262	I	80.1	Confident	75.9	Confident	3 Å²	3	38.1 Å²	38.1	2%	0.015	19%	0.19	C	C	.	.	H	α-helix	trans	-61.8	-41	177.5	-69.5	167.8	0	0	0	110.6	V258 L259 S266 V284 Q329 F333	V258-I262 HydrophobicContact CG1-CD1 3.88Å; V258-I262 WeakPolarHBondContact O-CG1 3.06Å; V258-I262 PolarHBondContact O-N 2.97Å; L259-I262 PolarHBondContact O-N 3.41Å; I262-S266 VanDerWaalsContact O-CB 3.22Å; I262-S266 WeakPolarHBondContact O-CB 3.28Å; I262-S266 PolarHBondContact O-N 2.82Å; I262-S266 PolarHBondContact O-OG 3.06Å; I262-V284 HydrophobicContact CG2-CB 4.35Å; I262-V284 HydrophobicContact CG2-CG1 3.73Å; I262-V284 HydrophobicContact CG2-CG2 3.68Å; I262-Q329 PolarHBondContact O-NE2 2.86Å; I262-F333 HydrophobicContact CD1-CE1 4.23Å; I262-F333 HydrophobicContact CD1-CZ 3.99Å
263	K	79.2	Confident	75.9	Confident	36 Å²	36	40 Å²	40	16%	0.157	21%	0.207	C	C	.	.	H	α-helix	trans	-59.6	-54.6	174.3	-178	-179	179.4	177.6	0	111.4	L259 L261 A265 S266 L267 I351 E358	L259-K263 WeakPolarHBondContact O-CB 3.4Å; L259-K263 PolarHBondContact O-N 2.66Å; L261-K263 VanDerWaalsContact C-N 3.31Å; L261-K263 PolarHBondContact O-N 3.37Å; K263-A265 PolarHBondContact O-N 2.92Å; K263-S266 PolarHBondContact O-N 3.19Å; K263-L267 HydrophobicContact CG-CD1 4.33Å; K263-L267 WeakPolarHBondContact O-CG 3.47Å; K263-L267 PolarHBondContact O-N 2.79Å; K263-I351 HydrophobicContact CD-CD1 4.06Å; K263-I351 HydrophobicContact CG-CD1 4.48Å; K263-E358 IonicContact NZ-OE2 2.65Å; K263-E358 PolarHBondContact NZ-OE2 2.78Å
264	T	82.8	Confident	75.8	Confident	22 Å²	22	38 Å²	38	14%	0.135	21%	0.205	C	C	.	.	H	α-helix	trans	-59.9	-47.4	-179.4	-54.3	0	0	0	0	111.4	T211 K212 E260 L261 S266 L267 L268	T211-T264 HydrophobicContact CG2-CG2 4.01Å; K212-T264 HydrophobicContact CG-CG2 3.86Å; E260-T264 WeakPolarHBondContact O-CB 3.47Å; E260-T264 PolarHBondContact O-N 3.27Å; E260-T264 PolarHBondContact O-OG1 2.67Å; L261-T264 PolarHBondContact O-N 2.88Å; T264-S266 VanDerWaalsContact C-N 3.28Å; T264-S266 PolarHBondContact O-N 3.08Å; T264-L267 PolarHBondContact O-N 2.95Å; T264-L268 WeakPolarHBondContact O-CG 3.35Å; T264-L268 PolarHBondContact O-N 3.21Å
265	A	80.5	Confident	75.6	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58.7	-41.3	178.6	0	0	0	0	0	111.9	T211 I226 I229 I230 L261 K263 L268	T211-A265 HydrophobicContact CG2-CB 4.19Å; I226-A265 HydrophobicContact CG2-CB 3.95Å; I226-A265 WeakPolarHBondContact CG2-O 3.35Å; I229-A265 HydrophobicContact CG2-CB 4.27Å; I230-A265 HydrophobicContact CG1-CB 4.28Å; L261-A265 WeakPolarHBondContact O-CB 3.47Å; L261-A265 PolarHBondContact O-N 3.07Å; K263-A265 PolarHBondContact O-N 2.92Å; A265-L268 WeakPolarHBondContact O-CB 3.47Å; A265-L268 PolarHBondContact O-N 2.94Å
266	S	74.8	Confident	75.7	Confident	5 Å²	5	43.6 Å²	43.6	4%	0.035	23%	0.232	C	C	.	.	H	α-helix	trans	-74.2	-34.6	-177.4	-61.6	0	0	0	0	113.5	I262 K263 T264 L268 L269 T286 Q329	I262-S266 VanDerWaalsContact O-CB 3.22Å; I262-S266 WeakPolarHBondContact O-CB 3.28Å; I262-S266 PolarHBondContact O-N 2.82Å; I262-S266 PolarHBondContact O-OG 3.06Å; K263-S266 PolarHBondContact O-N 3.19Å; T264-S266 VanDerWaalsContact C-N 3.28Å; T264-S266 PolarHBondContact O-N 3.08Å; S266-L268 PolarHBondContact O-N 3.37Å; S266-L269 PolarHBondContact O-N 2.05Å; S266-L269 VanDerWaalsContact O-N 3.08Å; S266-T286 VanDerWaalsContact CB-CG2 3.48Å; S266-Q329 PolarHBondContact OG-NE2 3.04Å
267	L	75.9	Confident	75.7	Confident	42 Å²	42	41 Å²	41	22%	0.22	22%	0.219	C	C	.	.	H	α-helix	trans	-63.9	-19	173.3	-71	172.7	0	0	0	113	K263 T264 V270 I327 S353	K263-L267 HydrophobicContact CG-CD1 4.33Å; K263-L267 WeakPolarHBondContact O-CG 3.47Å; K263-L267 PolarHBondContact O-N 2.79Å; T264-L267 PolarHBondContact O-N 2.95Å; L267-V270 WeakPolarHBondContact O-CG2 3.38Å; L267-I327 HydrophobicContact CD2-CD1 3.99Å; L267-I327 HydrophobicContact CD2-CG2 4.44Å; L267-S353 WeakPolarHBondContact CD2-OG 3.49Å
268	L	76.4	Confident	75.6	Confident	18 Å²	18	46.3 Å²	46.3	9%	0.094	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-15.7	175	-63.6	171.4	0	0	0	113.1	T211 L214 V216 A219 I226 T264 A265 S266	T211-L268 HydrophobicContact CG2-CD1 4.05Å; L214-L268 HydrophobicContact CB-CD1 3.81Å; L214-L268 HydrophobicContact CD1-CD1 4.08Å; V216-L268 HydrophobicContact CG2-CD2 3.92Å; A219-L268 HydrophobicContact CB-CB 3.65Å; A219-L268 HydrophobicContact CB-CD1 4.49Å; I226-L268 HydrophobicContact CD1-CB 4.41Å; I226-L268 HydrophobicContact CD1-CD1 4.11Å; T264-L268 WeakPolarHBondContact O-CG 3.35Å; T264-L268 PolarHBondContact O-N 3.21Å; A265-L268 WeakPolarHBondContact O-CB 3.47Å; A265-L268 PolarHBondContact O-N 2.94Å; S266-L268 PolarHBondContact O-N 3.37Å
269	L	68.3	Low	75.2	Confident	9 Å²	9	47.4 Å²	47.4	5%	0.047	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	29.6	-174.3	-73.1	-178.2	0	0	0	114.1	P223 I226 S266 Y271	P223-L269 HydrophobicContact CB-CD2 4.2Å; I226-L269 HydrophobicContact CB-CD1 3.6Å; I226-L269 HydrophobicContact CB-CD2 4.01Å; I226-L269 HydrophobicContact CB-CG 3.83Å; I226-L269 HydrophobicContact CG1-CD1 4.18Å; I226-L269 HydrophobicContact CG1-CD2 3.72Å; I226-L269 HydrophobicContact CG1-CG 3.81Å; I226-L269 HydrophobicContact CG2-CD1 3.28Å; I226-L269 HydrophobicContact CG2-CD2 4.41Å; I226-L269 HydrophobicContact CG2-CG 3.67Å; S266-L269 PolarHBondContact O-N 2.05Å; S266-L269 VanDerWaalsContact O-N 3.08Å; L269-Y271 HydrophobicContact CB-CE2 4.08Å; L269-Y271 HydrophobicContact CD2-CE2 4.05Å; L269-Y271 WeakPolarHBondContact O-CD2 3.28Å; L269-Y271 VanDerWaalsContact O-CE2 3.3Å; L269-Y271 WeakPolarHBondContact O-CE2 3.45Å; L269-Y271 PolarHBondContact O-N 3.42Å
270	V	63.7	Low	74.8	Confident	50 Å²	50	51.6 Å²	51.6	30%	0.303	27%	0.271	S	S	.	.			trans	-62.5	115.1	-176.4	-170.6	0	0	0	0	111.1	L267 A288 I327	L267-V270 WeakPolarHBondContact O-CG2 3.38Å; V270-A288 HydrophobicContact CG1-CB 3.83Å; V270-I327 HydrophobicContact CB-CD1 4.45Å; V270-I327 HydrophobicContact CG1-CD1 4.1Å; V270-I327 HydrophobicContact CG1-CG1 4Å; V270-I327 HydrophobicContact CG2-CD1 3.43Å; V270-I327 VanDerWaalsContact CG2-CD1 3.43Å; V270-I327 HydrophobicContact CG2-CG1 4.12Å
271	Y	62.9	Low	74.2	Confident	68 Å²	68	49.1 Å²	49.1	27%	0.267	26%	0.26	S	S	.	.			trans	-125.8	156	173.2	-61.8	-76.4	0	0	0	109.7	R220 L269 T273	R220-Y271 HydrophobicContact CG-CE1 4.17Å; R220-Y271 PolarHBondContact O-OH 3.4Å; L269-Y271 HydrophobicContact CB-CE2 4.08Å; L269-Y271 HydrophobicContact CD2-CE2 4.05Å; L269-Y271 WeakPolarHBondContact O-CD2 3.28Å; L269-Y271 VanDerWaalsContact O-CE2 3.3Å; L269-Y271 WeakPolarHBondContact O-CE2 3.45Å; L269-Y271 PolarHBondContact O-N 3.42Å; Y271-T273 PolarHBondContact O-N 2.95Å
272	D	60.3	Low	73.9	Confident	151 Å²	151	50 Å²	50	81%	0.807	27%	0.27	S	S	*	.	S	Bend	trans	-70.9	-5.7	176.5	-61	-30.2	0	0	0	113.4
273	T	66.6	Low	74	Confident	99 Å²	99	50 Å²	50	61%	0.607	27%	0.27	S	S	*	.	S	Bend	trans	-118.1	142.1	179.4	50.5	0	0	0	0	111.1	Y271 R275	Y271-T273 PolarHBondContact O-N 2.95Å; T273-R275 PolarHBondContact O-N 2.91Å
274	P	72.1	Confident	74.2	Confident	86 Å²	86	48.6 Å²	48.6	56%	0.558	26%	0.264	S	S	*	.			trans	-64.6	126.1	-179.8	25.9	-32.9	0	0	0	110.4	T286	P274-T286 WeakPolarHBondContact CA-O 3.41Å
275	R	75.9	Confident	74.3	Confident	73 Å²	73	47.9 Å²	47.9	28%	0.275	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.7	177.1	-171.4	173.2	177.2	157	-4.7	109.8	T273 I285 T286	T273-R275 PolarHBondContact O-N 2.91Å; R275-I285 WeakPolarHBondContact O-CA 3.45Å; R275-T286 PolarHBondContact N-O 3.16Å; R275-T286 PolarHBondContact O-N 2.91Å
276	V	78.9	Confident	74.5	Confident	59 Å²	59	48.5 Å²	48.5	36%	0.358	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122.8	179.5	-176.8	0	0	0	0	109	R278 I285	V276-R278 HydrophobicContact CG1-CG 3.86Å; V276-I285 HydrophobicContact CB-CG1 4.46Å; V276-I285 HydrophobicContact CG1-CG1 4.11Å; V276-I285 HydrophobicContact CG2-CD1 4.32Å; V276-I285 HydrophobicContact CG2-CG1 4.07Å; V276-I285 HydrophobicContact CG2-CG2 4.22Å
277	T	78.6	Confident	74.9	Confident	15 Å²	15	48.5 Å²	48.5	9%	0.092	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	111.5	170.1	-61.1	0	0	0	0	108.4	D227 I230 S283 V284	D227-T277 WeakPolarHBondContact OD1-CG2 3.27Å; I230-T277 HydrophobicContact CG2-CG2 3.97Å; T277-S283 WeakPolarHBondContact O-CA 3.29Å; T277-V284 PolarHBondContact N-O 3.38Å; T277-V284 PolarHBondContact O-N 3.33Å
278	R	78.8	Confident	75.3	Confident	149 Å²	149	47.2 Å²	47.2	56%	0.562	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	134.5	179.2	-61.4	-173.6	177.1	121.3	-2.7	110.8	V276 D304	V276-R278 HydrophobicContact CG1-CG 3.86Å; R278-D304 IonicContact CZ-OD1 2.76Å; R278-D304 IonicContact NE-OD1 3.46Å; R278-D304 PolarHBondContact NE-OD1 3Å; R278-D304 IonicContact NH2-OD1 3.68Å; R278-D304 PolarHBondContact NH2-OD1 3.33Å; R278-D304 IonicContact NH2-OD2 3.44Å
279	T	74.6	Confident	75.7	Confident	22 Å²	22	48.2 Å²	48.2	14%	0.135	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	163.2	174.2	73.6	0	0	0	0	109.9	I230 N234 L281 G282	I230-T279 HydrophobicContact CG2-CG2 4.48Å; N234-T279 HydrophobicContact CB-CG2 4.09Å; N234-T279 WeakPolarHBondContact ND2-CG2 3.4Å; N234-T279 PolarHBondContact OD1-OG1 3.42Å; T279-L281 PolarHBondContact O-N 3.15Å; T279-L281 VanDerWaalsContact O-N 3.11Å; T279-G282 CarbonylContact C-O 3.43Å; T279-G282 PolarHBondContact N-O 2.84Å; T279-G282 PolarHBondContact O-N 2.94Å; T279-G282 PolarHBondContact OG1-N 3.11Å; T279-G282 PolarHBondContact OG1-O 2.78Å
280	P	70	Confident	76.5	Confident	108 Å²	108	53.4 Å²	53.4	70%	0.701	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-18.7	177.3	-25.4	35.4	0	0	0	114.7
281	L	71.3	Confident	77.5	Confident	16 Å²	16	51.6 Å²	51.6	8%	0.084	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-5.2	-178.6	-62.1	175.4	0	0	0	113.2	N234 L237 R238 T279 F333 S334 I335	N234-L281 WeakPolarHBondContact O-CD1 3.42Å; L237-L281 HydrophobicContact CB-CD1 3.96Å; L237-L281 HydrophobicContact CD2-CD1 3.93Å; L237-L281 HydrophobicContact CG-CD1 3.85Å; R238-L281 HydrophobicContact CB-CD1 3.85Å; R238-L281 HydrophobicContact CB-CD2 4.4Å; R238-L281 HydrophobicContact CB-CG 4.36Å; R238-L281 HydrophobicContact CG-CD2 4.38Å; T279-L281 PolarHBondContact O-N 3.15Å; T279-L281 VanDerWaalsContact O-N 3.11Å; L281-F333 CarbonylContact O-C 3.47Å; L281-F333 WeakPolarHBondContact O-CA 3.39Å; L281-S334 PolarHBondContact O-N 3.14Å; L281-S334 PolarHBondContact O-OG 3.35Å; L281-I335 HydrophobicContact CD2-CD1 3.36Å
282	G	79.4	Confident	78.5	Confident	20 Å²	20	55.5 Å²	55.5	21%	0.206	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	151.7	-157.5	-177.6	0	0	0	0	0	113.5	T279 T332	T279-G282 CarbonylContact C-O 3.43Å; T279-G282 PolarHBondContact N-O 2.84Å; T279-G282 PolarHBondContact O-N 2.94Å; T279-G282 PolarHBondContact OG1-N 3.11Å; T279-G282 PolarHBondContact OG1-O 2.78Å; G282-T332 VanDerWaalsContact CA-O 3.28Å; G282-T332 WeakPolarHBondContact CA-O 3.36Å
283	S	83.9	Confident	79.6	Confident	3 Å²	3	53.8 Å²	53.8	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	151.7	-177.5	73.9	0	0	0	0	112.2	T277 D304 A331 T332	T277-S283 WeakPolarHBondContact O-CA 3.29Å; S283-D304 WeakPolarHBondContact OG-CB 2.93Å; S283-D304 PolarHBondContact OG-O 3.29Å; S283-A331 CarbonylContact O-C 3.45Å; S283-A331 VanDerWaalsContact O-CA 3.27Å; S283-A331 WeakPolarHBondContact O-CA 3.36Å; S283-T332 PolarHBondContact N-O 3.5Å; S283-T332 PolarHBondContact N-OG1 3.03Å; S283-T332 VanDerWaalsContact N-OG1 3.1Å; S283-T332 PolarHBondContact O-N 3.02Å; S283-T332 PolarHBondContact OG-OG1 3.43Å
284	V	82.9	Confident	80.5	Confident	6 Å²	6	49 Å²	49	4%	0.036	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.2	173.1	-176.6	0	0	0	0	108.5	I262 T277 M330 A331	I262-V284 HydrophobicContact CG2-CB 4.35Å; I262-V284 HydrophobicContact CG2-CG1 3.73Å; I262-V284 HydrophobicContact CG2-CG2 3.68Å; T277-V284 PolarHBondContact N-O 3.38Å; T277-V284 PolarHBondContact O-N 3.33Å; V284-M330 CarbonylContact C-O 3.57Å; V284-M330 WeakPolarHBondContact CA-O 3.37Å; V284-A331 HydrophobicContact CG2-CB 4.1Å
285	I	85	Confident	81.1	Confident	6 Å²	6	45.8 Å²	45.8	3%	0.031	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125.7	-174.9	-53	-179.1	0	0	0	108.1	R275 V276 D304 Q329 M330	R275-I285 WeakPolarHBondContact O-CA 3.45Å; V276-I285 HydrophobicContact CB-CG1 4.46Å; V276-I285 HydrophobicContact CG1-CG1 4.11Å; V276-I285 HydrophobicContact CG2-CD1 4.32Å; V276-I285 HydrophobicContact CG2-CG1 4.07Å; V276-I285 HydrophobicContact CG2-CG2 4.22Å; I285-D304 HydrophobicContact CD1-CB 4.05Å; I285-Q329 CarbonylContact O-C 3.59Å; I285-Q329 VanDerWaalsContact O-CA 3.31Å; I285-Q329 WeakPolarHBondContact O-CA 3.23Å; I285-M330 HydrophobicContact CB-CB 4.39Å; I285-M330 PolarHBondContact N-O 3.45Å; I285-M330 PolarHBondContact O-N 3.17Å
286	T	84.2	Confident	81.6	Confident	13 Å²	13	46.8 Å²	46.8	8%	0.08	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	138.8	175.8	53.4	0	0	0	0	111.8	S266 P274 R275 A328 Q329	S266-T286 VanDerWaalsContact CB-CG2 3.48Å; P274-T286 WeakPolarHBondContact CA-O 3.41Å; R275-T286 PolarHBondContact N-O 3.16Å; R275-T286 PolarHBondContact O-N 2.91Å; T286-A328 WeakPolarHBondContact CA-O 3.34Å; T286-Q329 HydrophobicContact CG2-CB 3.82Å; T286-Q329 HydrophobicContact CG2-CG 3.7Å
287	S	83.5	Confident	82	Confident	6 Å²	6	44.6 Å²	44.6	4%	0.042	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	146.2	178.2	-170.5	0	0	0	0	110.7	A328	S287-A328 PolarHBondContact N-O 3.34Å; S287-A328 PolarHBondContact O-N 3.07Å
288	A	83.9	Confident	82.5	Confident	15 Å²	15	47.6 Å²	47.6	12%	0.124	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	133.3	172.6	0	0	0	0	0	109.7	V270	V270-A288 HydrophobicContact CG1-CB 3.83Å
289	Y	84.3	Confident	82.9	Confident	38 Å²	38	40.7 Å²	40.7	15%	0.149	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	148.9	177.4	-65	-88.3	0	0	0	109.7	E293 L294 A297 L299 V326 A328	Y289-E293 HydrophobicContact CD1-CB 4.43Å; Y289-L294 HydrophobicContact CD1-CD1 4.47Å; Y289-L294 HydrophobicContact CD2-CD1 3.57Å; Y289-L294 HydrophobicContact CE2-CD1 4.15Å; Y289-L294 HydrophobicContact CG-CD1 3.75Å; Y289-A297 HydrophobicContact CE1-CB 4.29Å; Y289-L299 HydrophobicContact CE2-CD1 3.96Å; Y289-L299 HydrophobicContact CE2-CD2 4.38Å; Y289-L299 HydrophobicContact CE2-CG 4.43Å; Y289-V326 PolarHBondContact N-O 3.4Å; Y289-V326 PolarHBondContact O-N 3.44Å; Y289-A328 HydrophobicContact CD2-CB 4.05Å; Y289-A328 HydrophobicContact CE2-CB 4.01Å
290	K	85	Confident	83.4	Confident	118 Å²	118	40.8 Å²	40.8	51%	0.513	23%	0.23	S	C	.	.			trans	-69.5	147.2	155.5	-67.6	-179.4	-177	170.4	0	108.7	E292 E293 L294	K290-E292 PolarHBondContact O-N 2.83Å; K290-E292 VanDerWaalsContact O-N 3.1Å; K290-E293 HydrophobicContact CB-CB 4.49Å; K290-E293 HydrophobicContact CB-CG 4.19Å; K290-E293 PolarHBondContact O-N 2.85Å; K290-L294 PolarHBondContact O-N 2.78Å
291	P	85	Confident	84.2	Confident	13 Å²	13	37.5 Å²	37.5	8%	0.084	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-50.9	-40.7	-178.8	-25.5	29.1	0	0	0	113.6	E293 L294 F313 I320 Y323 E324 V326	P291-E293 VanDerWaalsContact C-N 3.35Å; P291-E293 PolarHBondContact O-N 2.81Å; P291-L294 WeakPolarHBondContact O-CB 3.36Å; P291-L294 PolarHBondContact O-N 2.86Å; P291-F313 HydrophobicContact CB-CE2 3.75Å; P291-F313 HydrophobicContact CB-CZ 4.35Å; P291-F313 WeakPolarHBondContact O-CD2 3.33Å; P291-F313 WeakPolarHBondContact O-CE2 3.31Å; P291-I320 HydrophobicContact CB-CD1 4.47Å; P291-I320 HydrophobicContact CB-CG1 4.33Å; P291-Y323 WeakPolarHBondContact CG-O 3.37Å; P291-E324 WeakPolarHBondContact CD-O 3.47Å; P291-V326 HydrophobicContact CG-CG2 4.29Å
292	E	83.4	Confident	84.6	Confident	150 Å²	150	40.5 Å²	40.5	70%	0.701	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-66.1	-34.2	-179.7	-61.8	178.3	-177.5	0	0	113.1	K290 L294 F313	K290-E292 PolarHBondContact O-N 2.83Å; K290-E292 VanDerWaalsContact O-N 3.1Å; E292-L294 VanDerWaalsContact C-N 3.3Å; E292-F313 HydrophobicContact CG-CE1 4.09Å; E292-F313 HydrophobicContact CG-CE2 4.46Å; E292-F313 HydrophobicContact CG-CZ 4.01Å
293	E	84.5	Confident	84.5	Confident	114 Å²	114	46.9 Å²	46.9	53%	0.533	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-79	-15.2	-179.1	-65.7	169.8	-179.6	0	0	112.4	Y289 K290 P291 G295	Y289-E293 HydrophobicContact CD1-CB 4.43Å; K290-E293 HydrophobicContact CB-CB 4.49Å; K290-E293 HydrophobicContact CB-CG 4.19Å; K290-E293 PolarHBondContact O-N 2.85Å; P291-E293 VanDerWaalsContact C-N 3.35Å; P291-E293 PolarHBondContact O-N 2.81Å; E293-G295 VanDerWaalsContact C-N 3.3Å
294	L	86.1	Confident	84.3	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-75.4	-20.4	179.5	-164.6	67.4	0	0	0	112.3	Y289 K290 P291 E292 N296 A297 L310 I320 V326 A328 L352	Y289-L294 HydrophobicContact CD1-CD1 4.47Å; Y289-L294 HydrophobicContact CD2-CD1 3.57Å; Y289-L294 HydrophobicContact CE2-CD1 4.15Å; Y289-L294 HydrophobicContact CG-CD1 3.75Å; K290-L294 PolarHBondContact O-N 2.78Å; P291-L294 WeakPolarHBondContact O-CB 3.36Å; P291-L294 PolarHBondContact O-N 2.86Å; E292-L294 VanDerWaalsContact C-N 3.3Å; L294-N296 PolarHBondContact O-N 2.84Å; L294-A297 HydrophobicContact CD1-CB 4.43Å; L294-A297 VanDerWaalsContact O-CB 3.26Å; L294-A297 WeakPolarHBondContact O-CB 3.44Å; L294-A297 PolarHBondContact O-N 2.89Å; L294-A297 VanDerWaalsContact O-N 3.15Å; L294-L310 HydrophobicContact CD1-CD1 3.44Å; L294-L310 VanDerWaalsContact CD1-CD1 3.44Å; L294-L310 HydrophobicContact CD2-CD1 4.11Å; L294-L310 HydrophobicContact CG-CD1 3.5Å; L294-L310 VanDerWaalsContact CG-CD1 3.5Å; L294-I320 HydrophobicContact CB-CD1 4.36Å; L294-I320 HydrophobicContact CD2-CD1 3.91Å; L294-V326 HydrophobicContact CD2-CB 4.43Å; L294-V326 HydrophobicContact CD2-CG1 3.98Å; L294-A328 HydrophobicContact CD1-CB 4.27Å; L294-L352 HydrophobicContact CD2-CD1 4.23Å; L294-L352 HydrophobicContact CD2-CD2 4.23Å
295	G	83.9	Confident	84	Confident	18 Å²	18	47.4 Å²	47.4	19%	0.186	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	124.8	177.6	0	0	0	0	0	112	E293 A297 P311	E293-G295 VanDerWaalsContact C-N 3.3Å; G295-A297 PolarHBondContact O-N 3.16Å; G295-P311 CarbonylContact C-O 3.51Å; G295-P311 WeakPolarHBondContact CA-O 3.47Å
296	N	86.5	Confident	84	Confident	94 Å²	94	47.1 Å²	47.1	50%	0.503	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	14	-172.9	-57.3	-59.2	0	0	0	115.1	L294 L310 P311	L294-N296 PolarHBondContact O-N 2.84Å; N296-L310 VanDerWaalsContact CA-O 3.29Å; N296-L310 WeakPolarHBondContact CA-O 3.25Å; N296-L310 PolarHBondContact N-O 2.85Å; N296-P311 PolarHBondContact N-O 3.34Å
297	A	87.8	Confident	84.3	Confident	12 Å²	12	48.7 Å²	48.7	10%	0.099	26%	0.257	C	S	.	.			trans	-64.7	141.2	175.7	0	0	0	0	0	110.4	Y289 L294 G295 L299 K309 L310	Y289-A297 HydrophobicContact CE1-CB 4.29Å; L294-A297 HydrophobicContact CD1-CB 4.43Å; L294-A297 VanDerWaalsContact O-CB 3.26Å; L294-A297 WeakPolarHBondContact O-CB 3.44Å; L294-A297 PolarHBondContact O-N 2.89Å; L294-A297 VanDerWaalsContact O-N 3.15Å; G295-A297 PolarHBondContact O-N 3.16Å; A297-L299 HydrophobicContact CB-CD1 4.33Å; A297-K309 WeakPolarHBondContact O-CA 3.05Å; A297-L310 PolarHBondContact O-N 3.16Å
298	V	88.8	Confident	84.6	Confident	78 Å²	78	48.4 Å²	48.4	47%	0.473	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	124.1	174.7	-177.2	0	0	0	0	108.1	F307 V308 K309	V298-F307 HydrophobicContact CG1-CB 4.48Å; V298-F307 HydrophobicContact CG1-CD2 4.11Å; V298-V308 WeakPolarHBondContact CA-O 3.27Å; V298-K309 HydrophobicContact CG2-CB 4.07Å; V298-K309 HydrophobicContact CG2-CD 4.37Å; V298-K309 HydrophobicContact CG2-CG 3.99Å
299	L	86.7	Confident	85	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131	173.7	-82.3	84.3	0	0	0	109.6	Y289 A297 F307 V308 A328 M330 F350	Y289-L299 HydrophobicContact CE2-CD1 3.96Å; Y289-L299 HydrophobicContact CE2-CD2 4.38Å; Y289-L299 HydrophobicContact CE2-CG 4.43Å; A297-L299 HydrophobicContact CB-CD1 4.33Å; L299-F307 CarbonylContact O-C 3.49Å; L299-F307 VanDerWaalsContact O-CA 3.28Å; L299-F307 WeakPolarHBondContact O-CA 3.4Å; L299-F307 WeakPolarHBondContact O-CB 3.47Å; L299-V308 PolarHBondContact N-O 3.3Å; L299-V308 PolarHBondContact O-N 3.24Å; L299-A328 HydrophobicContact CD1-CB 4.38Å; L299-A328 HydrophobicContact CD2-CB 3.53Å; L299-M330 HydrophobicContact CB-SD 4.39Å; L299-M330 VanDerWaalsContact O-SD 3.33Å; L299-F350 HydrophobicContact CB-CE2 4.12Å; L299-F350 HydrophobicContact CD1-CE2 4.4Å; L299-F350 HydrophobicContact CD1-CZ 4.5Å; L299-F350 HydrophobicContact CD2-CE2 3.91Å; L299-F350 HydrophobicContact CD2-CZ 4.35Å; L299-F350 HydrophobicContact CG-CE2 4.36Å
300	G	85.8	Confident	85.2	Confident	24 Å²	24	49 Å²	49	25%	0.247	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	87.2	178.2	-179.3	0	0	0	0	0	114.9
301	S	85.5	Confident	85.4	Confident	40 Å²	40	43.6 Å²	43.6	28%	0.28	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	166.6	178.6	73.5	0	0	0	0	109.8	E303 D304 G306	S301-E303 PolarHBondContact O-N 3.03Å; S301-E303 PolarHBondContact OG-N 2.93Å; S301-D304 WeakPolarHBondContact CB-OD2 3.2Å; S301-D304 PolarHBondContact N-OD2 3.4Å; S301-D304 WeakPolarHBondContact O-CB 3.33Å; S301-D304 PolarHBondContact O-N 3.36Å; S301-D304 PolarHBondContact OG-N 3.13Å; S301-D304 PolarHBondContact OG-OD2 3.09Å; S301-G306 PolarHBondContact N-O 3.22Å; S301-G306 CarbonylContact O-C 3.43Å; S301-G306 PolarHBondContact O-N 3.47Å
302	Q	79.6	Confident	85.6	Confident	78 Å²	78	43.7 Å²	43.7	36%	0.364	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-61.7	-29.5	175.9	-164.8	179	-6.3	0	0	112.4	D304 G305 R375	Q302-D304 PolarHBondContact O-N 3.37Å; Q302-G305 PolarHBondContact O-N 3.18Å; Q302-R375 PolarHBondContact O-NH2 3.05Å
303	E	78.8	Confident	85.9	Confident	154 Å²	154	38.7 Å²	38.7	72%	0.72	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-66.6	-25.4	173.7	-62.5	-175.3	176.6	0	0	112.9	S301 G305	S301-E303 PolarHBondContact O-N 3.03Å; S301-E303 PolarHBondContact OG-N 2.93Å; E303-G305 PolarHBondContact O-N 3.28Å
304	D	79.8	Confident	86	Confident	11 Å²	11	37.4 Å²	37.4	6%	0.059	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-86.7	9.3	179.1	-57.5	-43.4	0	0	0	111.6	R278 S283 I285 S301 Q302 G306 T332	R278-D304 IonicContact CZ-OD1 2.76Å; R278-D304 IonicContact NE-OD1 3.46Å; R278-D304 PolarHBondContact NE-OD1 3Å; R278-D304 IonicContact NH2-OD1 3.68Å; R278-D304 PolarHBondContact NH2-OD1 3.33Å; R278-D304 IonicContact NH2-OD2 3.44Å; S283-D304 WeakPolarHBondContact OG-CB 2.93Å; S283-D304 PolarHBondContact OG-O 3.29Å; I285-D304 HydrophobicContact CD1-CB 4.05Å; S301-D304 WeakPolarHBondContact CB-OD2 3.2Å; S301-D304 PolarHBondContact N-OD2 3.4Å; S301-D304 WeakPolarHBondContact O-CB 3.33Å; S301-D304 PolarHBondContact O-N 3.36Å; S301-D304 PolarHBondContact OG-N 3.13Å; S301-D304 PolarHBondContact OG-OD2 3.09Å; Q302-D304 PolarHBondContact O-N 3.37Å; D304-G306 VanDerWaalsContact C-N 3.33Å; D304-T332 WeakPolarHBondContact O-CB 3.46Å; D304-T332 PolarHBondContact O-OG1 3.45Å
305	G	76.3	Confident	86	Confident	9 Å²	9	38 Å²	38	9%	0.093	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	-1	177.9	0	0	0	0	0	114.8	Q302 E303 N346 D373	Q302-G305 PolarHBondContact O-N 3.18Å; E303-G305 PolarHBondContact O-N 3.28Å; G305-N346 VanDerWaalsContact CA-ND2 3.28Å; G305-N346 WeakPolarHBondContact CA-ND2 3.47Å; G305-N346 PolarHBondContact O-ND2 3.06Å; G305-D373 VanDerWaalsContact O-CB 3.28Å; G305-D373 WeakPolarHBondContact O-CB 3.32Å; G305-D373 PolarHBondContact O-N 3.46Å; G305-D373 VanDerWaalsContact O-N 3.16Å
306	G	85.6	Confident	86.1	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.7	167.8	178	0	0	0	0	0	112.2	S301 D304 M330 F371	S301-G306 PolarHBondContact N-O 3.22Å; S301-G306 CarbonylContact O-C 3.43Å; S301-G306 PolarHBondContact O-N 3.47Å; D304-G306 VanDerWaalsContact C-N 3.33Å; G306-M330 VanDerWaalsContact C-CE 3.42Å; G306-M330 WeakPolarHBondContact O-CE 3.43Å; G306-F371 CarbonylContact C-O 3.48Å; G306-F371 WeakPolarHBondContact CA-O 3.48Å
307	F	89.8	Confident	86	Confident	47 Å²	47	37.9 Å²	37.9	21%	0.206	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	151.1	175.9	60.4	-85.3	0	0	0	111.8	V298 L299 F371 L512	V298-F307 HydrophobicContact CG1-CB 4.48Å; V298-F307 HydrophobicContact CG1-CD2 4.11Å; L299-F307 CarbonylContact O-C 3.49Å; L299-F307 VanDerWaalsContact O-CA 3.28Å; L299-F307 WeakPolarHBondContact O-CA 3.4Å; L299-F307 WeakPolarHBondContact O-CB 3.47Å; F307-F371 HydrophobicContact CD1-CB 3.74Å; F307-F371 HydrophobicContact CD1-CG 4.32Å; F307-F371 HydrophobicContact CD2-CB 4.13Å; F307-F371 AromaticContact CD2-CD2 3.47Å; F307-F371 HydrophobicContact CD2-CD2 3.47Å; F307-F371 VanDerWaalsContact CD2-CD2 3.47Å; F307-F371 HydrophobicContact CD2-CE2 4.11Å; F307-F371 AromaticContact CD2-CG 4Å; F307-F371 HydrophobicContact CD2-CG 4Å; F307-F371 HydrophobicContact CE1-CB 3.5Å; F307-F371 HydrophobicContact CE1-CD1 4.31Å; F307-F371 HydrophobicContact CE1-CD2 4.25Å; F307-F371 AromaticContact CE1-CG 3.79Å; F307-F371 HydrophobicContact CE1-CG 3.79Å; F307-F371 HydrophobicContact CE2-CB 3.93Å; F307-F371 HydrophobicContact CE2-CD1 4.11Å; F307-F371 AromaticContact CE2-CD2 3.05Å; F307-F371 HydrophobicContact CE2-CD2 3.05Å; F307-F371 HydrophobicContact CE2-CE1 4.39Å; F307-F371 AromaticContact CE2-CE2 3.43Å; F307-F371 HydrophobicContact CE2-CE2 3.43Å; F307-F371 VanDerWaalsContact CE2-CE2 3.43Å; F307-F371 AromaticContact CE2-CG 3.43Å; F307-F371 HydrophobicContact CE2-CG 3.43Å; F307-F371 VanDerWaalsContact CE2-CG 3.43Å; F307-F371 HydrophobicContact CE2-CZ 4.09Å; F307-F371 HydrophobicContact CG-CB 4.04Å; F307-F371 HydrophobicContact CG-CD2 4.23Å; F307-F371 HydrophobicContact CG-CG 4.41Å; F307-F371 HydrophobicContact CZ-CB 3.61Å; F307-F371 AromaticContact CZ-CD1 3.69Å; F307-F371 HydrophobicContact CZ-CD1 3.69Å; F307-F371 AromaticContact CZ-CD2 3.5Å; F307-F371 HydrophobicContact CZ-CD2 3.5Å; F307-F371 VanDerWaalsContact CZ-CD2 3.5Å; F307-F371 HydrophobicContact CZ-CE1 4.18Å; F307-F371 HydrophobicContact CZ-CE2 4.01Å; F307-F371 AromaticContact CZ-CG 3.3Å; F307-F371 HydrophobicContact CZ-CG 3.3Å; F307-F371 HydrophobicContact CZ-CZ 4.33Å; F307-F371 PolarHBondContact N-O 3.4Å; F307-F371 PolarHBondContact O-N 2.89Å; F307-L512 HydrophobicContact CE1-CD2 4.43Å
308	V	90.3	Very high	85.8	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.8	179.2	179.1	0	0	0	0	108.7	V298 L299 L310 M330 F350 V368 E369 I370	V298-V308 WeakPolarHBondContact CA-O 3.27Å; L299-V308 PolarHBondContact N-O 3.3Å; L299-V308 PolarHBondContact O-N 3.24Å; V308-L310 HydrophobicContact CG1-CD2 4.42Å; V308-M330 HydrophobicContact CB-SD 4.26Å; V308-M330 HydrophobicContact CG2-CE 4.11Å; V308-M330 HydrophobicContact CG2-SD 3.83Å; V308-F350 HydrophobicContact CB-CD2 3.98Å; V308-F350 HydrophobicContact CB-CE2 4.15Å; V308-F350 HydrophobicContact CG1-CD2 4.07Å; V308-F350 HydrophobicContact CG1-CE2 4.15Å; V308-F350 HydrophobicContact CG1-CG 4.46Å; V308-F350 HydrophobicContact CG2-CD2 3.96Å; V308-V368 HydrophobicContact CG1-CG1 3.52Å; V308-E369 CarbonylContact C-O 3.37Å; V308-E369 WeakPolarHBondContact CA-O 3.35Å; V308-I370 HydrophobicContact CG1-CG1 4.32Å; V308-I370 HydrophobicContact CG2-CG1 4.23Å; V308-I370 HydrophobicContact CG2-CG2 4.29Å
309	K	90.7	Very high	85.5	Confident	63 Å²	63	40.2 Å²	40.2	27%	0.274	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.2	172	174.9	-178.1	169.5	-145.5	0	109.1	A297 V298 E369	A297-K309 WeakPolarHBondContact O-CA 3.05Å; V298-K309 HydrophobicContact CG2-CB 4.07Å; V298-K309 HydrophobicContact CG2-CD 4.37Å; V298-K309 HydrophobicContact CG2-CG 3.99Å; K309-E369 HydrophobicContact CB-CB 4.19Å; K309-E369 WeakPolarHBondContact CD-OE1 3.34Å; K309-E369 PolarHBondContact N-O 3.5Å; K309-E369 IonicContact NZ-OE1 3.52Å; K309-E369 PolarHBondContact NZ-OE1 2.91Å; K309-E369 PolarHBondContact O-N 3.27Å
310	L	89.8	Confident	85.4	Confident	2 Å²	2	40 Å²	40	1%	0.01	23%	0.226	C	C	.	.			trans	-79.6	154.2	-177.7	-67.8	175	0	0	0	111.9	L294 N296 A297 V308 M316 F350 V368 L520	L294-L310 HydrophobicContact CD1-CD1 3.44Å; L294-L310 VanDerWaalsContact CD1-CD1 3.44Å; L294-L310 HydrophobicContact CD2-CD1 4.11Å; L294-L310 HydrophobicContact CG-CD1 3.5Å; L294-L310 VanDerWaalsContact CG-CD1 3.5Å; N296-L310 VanDerWaalsContact CA-O 3.29Å; N296-L310 WeakPolarHBondContact CA-O 3.25Å; N296-L310 PolarHBondContact N-O 2.85Å; A297-L310 PolarHBondContact O-N 3.16Å; V308-L310 HydrophobicContact CG1-CD2 4.42Å; L310-M316 HydrophobicContact CB-CE 4.23Å; L310-M316 HydrophobicContact CB-SD 4.46Å; L310-F350 HydrophobicContact CD1-CZ 4.07Å; L310-F350 HydrophobicContact CD2-CE1 3.89Å; L310-F350 HydrophobicContact CD2-CZ 3.93Å; L310-F350 HydrophobicContact CG-CZ 4.27Å; L310-V368 HydrophobicContact CD2-CG1 4.3Å; L310-L520 HydrophobicContact CD2-CD2 4.4Å
311	P	88.9	Confident	85.2	Confident	4 Å²	4	40.8 Å²	40.8	3%	0.026	23%	0.234	C	C	.	.			trans	-61.6	175.7	173.6	-25.4	35.3	0	0	0	114.3	G295 N296 A315 M316 L364 E366 V368	G295-P311 CarbonylContact C-O 3.51Å; G295-P311 WeakPolarHBondContact CA-O 3.47Å; N296-P311 PolarHBondContact N-O 3.34Å; P311-A315 HydrophobicContact CB-CB 4.01Å; P311-M316 HydrophobicContact CB-CG 4.44Å; P311-M316 VanDerWaalsContact O-CE 3.22Å; P311-M316 WeakPolarHBondContact O-CE 3.21Å; P311-L364 HydrophobicContact CG-CD1 4.26Å; P311-E366 HydrophobicContact CB-CB 3.77Å; P311-E366 HydrophobicContact CG-CB 4.41Å; P311-E366 WeakPolarHBondContact CG-O 3.48Å; P311-V368 HydrophobicContact CG-CG2 4Å
312	S	90.2	Very high	85.2	Confident	15 Å²	15	46 Å²	46	11%	0.105	25%	0.251	C	S	.	.			trans	-60.4	152.6	171.2	75.1	0	0	0	0	112	S314 A315 E366	S312-S314 PolarHBondContact O-N 2.95Å; S312-S314 PolarHBondContact OG-OG 3.03Å; S312-A315 PolarHBondContact O-N 3.23Å; S312-A315 VanDerWaalsContact O-N 3.08Å; S312-A315 PolarHBondContact OG-N 3.46Å; S312-E366 WeakPolarHBondContact CB-OE2 3.31Å; S312-E366 PolarHBondContact N-OE2 3.16Å; S312-E366 PolarHBondContact OG-OE1 3.04Å; S312-E366 PolarHBondContact OG-OE2 3.22Å
313	F	88.6	Confident	85.4	Confident	46 Å²	46	45.3 Å²	45.3	20%	0.202	25%	0.246	C	C	.	.	H	α-helix	trans	-57.8	-37.7	177.8	178	-114.2	0	0	0	111.9	P291 E292 A315 M316 Q317 I320	P291-F313 HydrophobicContact CB-CE2 3.75Å; P291-F313 HydrophobicContact CB-CZ 4.35Å; P291-F313 WeakPolarHBondContact O-CD2 3.33Å; P291-F313 WeakPolarHBondContact O-CE2 3.31Å; E292-F313 HydrophobicContact CG-CE1 4.09Å; E292-F313 HydrophobicContact CG-CE2 4.46Å; E292-F313 HydrophobicContact CG-CZ 4.01Å; F313-A315 VanDerWaalsContact C-N 3.26Å; F313-A315 PolarHBondContact O-N 3.02Å; F313-M316 CarbonylContact O-C 3.48Å; F313-M316 PolarHBondContact O-N 3.14Å; F313-Q317 HydrophobicContact CE1-CB 4.26Å; F313-Q317 HydrophobicContact CE1-CG 3.86Å; F313-Q317 HydrophobicContact CZ-CB 4.32Å; F313-Q317 HydrophobicContact CZ-CG 3.94Å; F313-Q317 WeakPolarHBondContact O-CA 3.35Å; F313-Q317 WeakPolarHBondContact O-CB 3.48Å; F313-Q317 PolarHBondContact O-N 2.82Å; F313-I320 HydrophobicContact CD2-CD1 3.93Å; F313-I320 HydrophobicContact CD2-CG1 4.37Å; F313-I320 HydrophobicContact CE2-CD1 3.97Å; F313-I320 HydrophobicContact CE2-CG1 3.99Å
314	S	87.1	Confident	85.5	Confident	87 Å²	87	46.6 Å²	46.6	61%	0.608	25%	0.252	S	S	*	.	H	α-helix	trans	-56.5	-36.8	176.4	32.5	0	0	0	0	113.5	S312 M316	S312-S314 PolarHBondContact O-N 2.95Å; S312-S314 PolarHBondContact OG-OG 3.03Å; S314-M316 VanDerWaalsContact C-N 3.3Å; S314-M316 PolarHBondContact O-N 2.72Å
315	A	84.9	Confident	85.7	Confident	11 Å²	11	50.5 Å²	50.5	9%	0.091	27%	0.272	C	S	.	.	H	α-helix	trans	-72.1	-24.6	178.4	0	0	0	0	0	113	P311 S312 F313 E366	P311-A315 HydrophobicContact CB-CB 4.01Å; S312-A315 PolarHBondContact O-N 3.23Å; S312-A315 VanDerWaalsContact O-N 3.08Å; S312-A315 PolarHBondContact OG-N 3.46Å; F313-A315 VanDerWaalsContact C-N 3.26Å; F313-A315 PolarHBondContact O-N 3.02Å; A315-E366 HydrophobicContact CB-CB 3.86Å; A315-E366 HydrophobicContact CB-CG 4.1Å
316	M	86.9	Confident	86.2	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-104.5	-13.3	-177.7	-61.6	-177.1	-69.2	0	0	113.4	L310 P311 F313 S314 S318 T319 I320 L361 L364	L310-M316 HydrophobicContact CB-CE 4.23Å; L310-M316 HydrophobicContact CB-SD 4.46Å; P311-M316 HydrophobicContact CB-CG 4.44Å; P311-M316 VanDerWaalsContact O-CE 3.22Å; P311-M316 WeakPolarHBondContact O-CE 3.21Å; F313-M316 CarbonylContact O-C 3.48Å; F313-M316 PolarHBondContact O-N 3.14Å; S314-M316 VanDerWaalsContact C-N 3.3Å; S314-M316 PolarHBondContact O-N 2.72Å; M316-S318 VanDerWaalsContact C-N 3.29Å; M316-S318 PolarHBondContact O-N 3.37Å; M316-S318 VanDerWaalsContact O-N 3.15Å; M316-T319 PolarHBondContact O-N 3.23Å; M316-I320 HydrophobicContact CB-CD1 3.59Å; M316-I320 HydrophobicContact CB-CG1 3.86Å; M316-I320 HydrophobicContact CB-CG2 4.46Å; M316-I320 HydrophobicContact CE-CD1 4.13Å; M316-I320 WeakPolarHBondContact O-CG1 3.08Å; M316-I320 PolarHBondContact O-N 3.39Å; M316-I320 HydrophobicContact SD-CD1 4.37Å; M316-L361 HydrophobicContact CG-CD1 4.19Å; M316-L361 HydrophobicContact SD-CD1 3.88Å; M316-L364 HydrophobicContact CG-CD2 4.12Å
317	Q	85.2	Confident	86.2	Confident	111 Å²	111	50.8 Å²	50.8	52%	0.519	27%	0.272	S	S	.	.	H	α-helix	trans	-54.6	-39.4	-167.3	-174.2	171.9	11.8	0	0	113.7	F313 T319 G321	F313-Q317 HydrophobicContact CE1-CB 4.26Å; F313-Q317 HydrophobicContact CE1-CG 3.86Å; F313-Q317 HydrophobicContact CZ-CB 4.32Å; F313-Q317 HydrophobicContact CZ-CG 3.94Å; F313-Q317 WeakPolarHBondContact O-CA 3.35Å; F313-Q317 WeakPolarHBondContact O-CB 3.48Å; F313-Q317 PolarHBondContact O-N 2.82Å; Q317-T319 PolarHBondContact O-N 3.49Å; Q317-T319 VanDerWaalsContact O-N 3.16Å; Q317-G321 WeakPolarHBondContact O-CA 3.35Å; Q317-G321 PolarHBondContact O-N 3.34Å
318	S	82.7	Confident	86	Confident	99 Å²	99	48.6 Å²	48.6	69%	0.692	26%	0.262	S	S	*	.	H	α-helix	trans	-58.6	-27.6	178.1	56	0	0	0	0	113.3	M316	M316-S318 VanDerWaalsContact C-N 3.29Å; M316-S318 PolarHBondContact O-N 3.37Å; M316-S318 VanDerWaalsContact O-N 3.15Å
319	T	82.4	Confident	85.8	Confident	40 Å²	40	49.1 Å²	49.1	25%	0.245	27%	0.265	C	S	.	.	H	α-helix	trans	-106.3	-45.6	-173.2	-44.7	0	0	0	0	111.6	M316 Q317 K322 Y323 I359 L361	M316-T319 PolarHBondContact O-N 3.23Å; Q317-T319 PolarHBondContact O-N 3.49Å; Q317-T319 VanDerWaalsContact O-N 3.16Å; T319-K322 WeakPolarHBondContact O-CE 3.39Å; T319-K322 WeakPolarHBondContact O-CG 3.34Å; T319-Y323 WeakPolarHBondContact O-CE2 3.36Å; T319-I359 HydrophobicContact CG2-CG2 4.22Å; T319-L361 HydrophobicContact CG2-CD2 3.66Å
320	I	85.3	Confident	85.6	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-92.6	-21.5	-175.4	68.7	175.4	0	0	0	114.1	P291 L294 F313 M316 K322 Y323 V326 I359 L361	P291-I320 HydrophobicContact CB-CD1 4.47Å; P291-I320 HydrophobicContact CB-CG1 4.33Å; L294-I320 HydrophobicContact CB-CD1 4.36Å; L294-I320 HydrophobicContact CD2-CD1 3.91Å; F313-I320 HydrophobicContact CD2-CD1 3.93Å; F313-I320 HydrophobicContact CD2-CG1 4.37Å; F313-I320 HydrophobicContact CE2-CD1 3.97Å; F313-I320 HydrophobicContact CE2-CG1 3.99Å; M316-I320 HydrophobicContact CB-CD1 3.59Å; M316-I320 HydrophobicContact CB-CG1 3.86Å; M316-I320 HydrophobicContact CB-CG2 4.46Å; M316-I320 HydrophobicContact CE-CD1 4.13Å; M316-I320 WeakPolarHBondContact O-CG1 3.08Å; M316-I320 PolarHBondContact O-N 3.39Å; M316-I320 HydrophobicContact SD-CD1 4.37Å; I320-K322 PolarHBondContact O-N 3.08Å; I320-Y323 PolarHBondContact O-N 3.04Å; I320-V326 HydrophobicContact CB-CG2 4.48Å; I320-I359 HydrophobicContact CG2-CG2 4.42Å; I320-L361 HydrophobicContact CG2-CD2 4.1Å
321	G	80.9	Confident	85.3	Confident	40 Å²	40	46.1 Å²	46.1	41%	0.412	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-7.2	-172.9	0	0	0	0	0	115.3	Q317	Q317-G321 WeakPolarHBondContact O-CA 3.35Å; Q317-G321 PolarHBondContact O-N 3.34Å
322	K	84.4	Confident	85.2	Confident	148 Å²	148	46.1 Å²	46.1	64%	0.643	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-6.2	178.5	35.6	177.3	169.6	178.3	0	113.7	T319 I320	T319-K322 WeakPolarHBondContact O-CE 3.39Å; T319-K322 WeakPolarHBondContact O-CG 3.34Å; I320-K322 PolarHBondContact O-N 3.08Å
323	Y	84.8	Confident	84.7	Confident	64 Å²	64	45.6 Å²	45.6	25%	0.251	25%	0.248	S	C	.	.			trans	-104.2	146.9	179.5	-59.1	-80.6	0	0	0	110.5	P291 T319 I320 D354 I359	P291-Y323 WeakPolarHBondContact CG-O 3.37Å; T319-Y323 WeakPolarHBondContact O-CE2 3.36Å; I320-Y323 PolarHBondContact O-N 3.04Å; Y323-D354 HydrophobicContact CD1-CB 3.48Å; Y323-D354 VanDerWaalsContact CD1-CB 3.48Å; Y323-D354 HydrophobicContact CE1-CB 3.68Å; Y323-D354 HydrophobicContact CG-CB 4.31Å; Y323-I359 HydrophobicContact CD1-CD1 4.46Å; Y323-I359 HydrophobicContact CD2-CD1 3.77Å; Y323-I359 HydrophobicContact CD2-CG1 4.48Å; Y323-I359 HydrophobicContact CE1-CD1 4.47Å; Y323-I359 HydrophobicContact CE2-CD1 3.8Å; Y323-I359 HydrophobicContact CE2-CG1 3.99Å; Y323-I359 HydrophobicContact CE2-CG2 4.26Å; Y323-I359 HydrophobicContact CG-CD1 4.12Å
324	E	80.3	Confident	84.1	Confident	182 Å²	182	46 Å²	46	85%	0.85	26%	0.256	S	S	*	.	S	Bend	trans	-76.7	-42	178	-68.9	-176.8	168.9	0	0	112	P291	P291-E324 WeakPolarHBondContact CD-O 3.47Å
325	N	84.2	Confident	83.4	Confident	92 Å²	92	44 Å²	44	49%	0.492	24%	0.239	S	C	.	.			trans	-135	141.8	177	-76.8	-23.9	0	0	0	109.3
326	V	87.3	Confident	82.8	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.3	177.1	-179.6	0	0	0	0	108.7	Y289 P291 L294 I320 L352 I359	Y289-V326 PolarHBondContact N-O 3.4Å; Y289-V326 PolarHBondContact O-N 3.44Å; P291-V326 HydrophobicContact CG-CG2 4.29Å; L294-V326 HydrophobicContact CD2-CB 4.43Å; L294-V326 HydrophobicContact CD2-CG1 3.98Å; I320-V326 HydrophobicContact CB-CG2 4.48Å; V326-L352 HydrophobicContact CG1-CB 4.26Å; V326-L352 HydrophobicContact CG1-CD2 4.11Å; V326-I359 HydrophobicContact CG1-CD1 4.15Å; V326-I359 HydrophobicContact CG2-CD1 4.3Å
327	I	85.1	Confident	81.8	Confident	16 Å²	16	46.8 Å²	46.8	8%	0.082	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	120.5	175.1	-58.7	158.9	0	0	0	107.3	L267 V270 L352 S353	L267-I327 HydrophobicContact CD2-CD1 3.99Å; L267-I327 HydrophobicContact CD2-CG2 4.44Å; V270-I327 HydrophobicContact CB-CD1 4.45Å; V270-I327 HydrophobicContact CG1-CD1 4.1Å; V270-I327 HydrophobicContact CG1-CG1 4Å; V270-I327 HydrophobicContact CG2-CD1 3.43Å; V270-I327 VanDerWaalsContact CG2-CD1 3.43Å; V270-I327 HydrophobicContact CG2-CG1 4.12Å; I327-L352 CarbonylContact O-C 2.96Å; I327-L352 WeakPolarHBondContact O-CA 3.43Å; I327-S353 PolarHBondContact N-O 3.39Å; I327-S353 PolarHBondContact O-N 3.49Å
328	A	86.6	Confident	81	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	128.9	173.5	0	0	0	0	0	109.7	T286 S287 Y289 L294 L299 F350 L352	T286-A328 WeakPolarHBondContact CA-O 3.34Å; S287-A328 PolarHBondContact N-O 3.34Å; S287-A328 PolarHBondContact O-N 3.07Å; Y289-A328 HydrophobicContact CD2-CB 4.05Å; Y289-A328 HydrophobicContact CE2-CB 4.01Å; L294-A328 HydrophobicContact CD1-CB 4.27Å; L299-A328 HydrophobicContact CD1-CB 4.38Å; L299-A328 HydrophobicContact CD2-CB 3.53Å; A328-F350 HydrophobicContact CB-CZ 4.19Å; A328-L352 HydrophobicContact CB-CD2 3.59Å
329	Q	85.2	Confident	79.8	Confident	11 Å²	11	39.5 Å²	39.5	5%	0.051	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	130.5	178.4	173.9	172.6	38.5	0	0	109.9	I262 S266 I285 T286 F350 I351	I262-Q329 PolarHBondContact O-NE2 2.86Å; S266-Q329 PolarHBondContact OG-NE2 3.04Å; I285-Q329 CarbonylContact O-C 3.59Å; I285-Q329 VanDerWaalsContact O-CA 3.31Å; I285-Q329 WeakPolarHBondContact O-CA 3.23Å; T286-Q329 HydrophobicContact CG2-CB 3.82Å; T286-Q329 HydrophobicContact CG2-CG 3.7Å; Q329-F350 WeakPolarHBondContact O-CA 3.38Å; Q329-I351 PolarHBondContact N-O 3.2Å; Q329-I351 PolarHBondContact O-N 3.36Å
330	M	86.3	Confident	78.4	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	130.6	172.5	179.7	173.3	168.8	0	0	109.2	V284 I285 L299 G306 V308 T332 C348 N349 F350	V284-M330 CarbonylContact C-O 3.57Å; V284-M330 WeakPolarHBondContact CA-O 3.37Å; I285-M330 HydrophobicContact CB-CB 4.39Å; I285-M330 PolarHBondContact N-O 3.45Å; I285-M330 PolarHBondContact O-N 3.17Å; L299-M330 HydrophobicContact CB-SD 4.39Å; L299-M330 VanDerWaalsContact O-SD 3.33Å; G306-M330 VanDerWaalsContact C-CE 3.42Å; G306-M330 WeakPolarHBondContact O-CE 3.43Å; V308-M330 HydrophobicContact CB-SD 4.26Å; V308-M330 HydrophobicContact CG2-CE 4.11Å; V308-M330 HydrophobicContact CG2-SD 3.83Å; M330-T332 HydrophobicContact CE-CG2 3.46Å; M330-T332 VanDerWaalsContact CE-CG2 3.46Å; M330-C348 VanDerWaalsContact CE-SG 3.54Å; M330-N349 CarbonylContact C-O 3.6Å; M330-N349 WeakPolarHBondContact CA-O 3.42Å; M330-F350 HydrophobicContact CB-CD2 3.89Å; M330-F350 HydrophobicContact CB-CE2 4.33Å; M330-F350 HydrophobicContact CG-CD2 4.26Å
331	A	84.5	Confident	77	Confident	3 Å²	3	43.9 Å²	43.9	3%	0.025	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	123.4	173.4	0	0	0	0	0	109.9	S283 V284 F333 C348 N349	S283-A331 CarbonylContact O-C 3.45Å; S283-A331 VanDerWaalsContact O-CA 3.27Å; S283-A331 WeakPolarHBondContact O-CA 3.36Å; V284-A331 HydrophobicContact CG2-CB 4.1Å; A331-F333 HydrophobicContact CB-CE2 3.81Å; A331-F333 HydrophobicContact CB-CZ 4.1Å; A331-C348 CarbonylContact O-C 3.51Å; A331-N349 HydrophobicContact CB-CB 4.47Å; A331-N349 PolarHBondContact N-O 3.04Å; A331-N349 PolarHBondContact O-N 3.21Å
332	T	85.8	Confident	76	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.018	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	145	175.1	58.6	0	0	0	0	110.6	G282 S283 D304 M330 I347	G282-T332 VanDerWaalsContact CA-O 3.28Å; G282-T332 WeakPolarHBondContact CA-O 3.36Å; S283-T332 PolarHBondContact N-O 3.5Å; S283-T332 PolarHBondContact N-OG1 3.03Å; S283-T332 VanDerWaalsContact N-OG1 3.1Å; S283-T332 PolarHBondContact O-N 3.02Å; S283-T332 PolarHBondContact OG-OG1 3.43Å; D304-T332 WeakPolarHBondContact O-CB 3.46Å; D304-T332 PolarHBondContact O-OG1 3.45Å; M330-T332 HydrophobicContact CE-CG2 3.46Å; M330-T332 VanDerWaalsContact CE-CG2 3.46Å; T332-I347 CarbonylContact C-O 3.55Å; T332-I347 VanDerWaalsContact CA-O 3.23Å; T332-I347 WeakPolarHBondContact CA-O 3.34Å
333	F	80.5	Confident	75.3	Confident	5 Å²	5	42.8 Å²	42.8	2%	0.022	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	134.2	176.6	-59.3	-84.6	0	0	0	109.9	L237 F255 L259 I262 L281 A331 I335 N346 I347	L237-F333 HydrophobicContact CD2-CD1 4.16Å; L237-F333 HydrophobicContact CD2-CE1 4.2Å; F255-F333 HydrophobicContact CE2-CD1 4.41Å; F255-F333 HydrophobicContact CE2-CE1 4.45Å; F255-F333 HydrophobicContact CZ-CD1 4.41Å; F255-F333 HydrophobicContact CZ-CD2 4.09Å; F255-F333 HydrophobicContact CZ-CE1 4.44Å; F255-F333 HydrophobicContact CZ-CE2 4.13Å; F255-F333 HydrophobicContact CZ-CG 4.24Å; F255-F333 HydrophobicContact CZ-CZ 4.3Å; L259-F333 HydrophobicContact CD2-CE2 3.47Å; L259-F333 VanDerWaalsContact CD2-CE2 3.47Å; L259-F333 HydrophobicContact CD2-CZ 3.59Å; I262-F333 HydrophobicContact CD1-CE1 4.23Å; I262-F333 HydrophobicContact CD1-CZ 3.99Å; L281-F333 CarbonylContact O-C 3.47Å; L281-F333 WeakPolarHBondContact O-CA 3.39Å; A331-F333 HydrophobicContact CB-CE2 3.81Å; A331-F333 HydrophobicContact CB-CZ 4.1Å; F333-I335 VanDerWaalsContact C-N 3.29Å; F333-N346 CarbonylContact O-C 3.58Å; F333-N346 WeakPolarHBondContact O-CA 3.45Å; F333-I347 PolarHBondContact N-O 3.43Å; F333-I347 PolarHBondContact O-N 3.06Å
334	S	75.6	Confident	74.5	Confident	54 Å²	54	41 Å²	41	38%	0.378	24%	0.235	S	C	.	.	S	Bend	trans	-82.1	-5.8	178.9	58.1	0	0	0	0	114.2	L281 N346	L281-S334 PolarHBondContact O-N 3.14Å; L281-S334 PolarHBondContact O-OG 3.35Å; S334-N346 WeakPolarHBondContact CA-OD1 3.22Å
335	I	72	Confident	74	Confident	46 Å²	46	32.7 Å²	32.7	24%	0.236	20%	0.198	C	C	.	.	S	Bend	trans	-122.6	141.3	-179.3	-69.2	128.8	0	0	0	109.9	V241 L281 F333 P337	V241-I335 HydrophobicContact CB-CD1 4.35Å; V241-I335 HydrophobicContact CB-CG2 4.46Å; V241-I335 HydrophobicContact CG1-CB 4.27Å; V241-I335 HydrophobicContact CG1-CD1 3.65Å; V241-I335 HydrophobicContact CG1-CG1 3.79Å; V241-I335 HydrophobicContact CG1-CG2 3.68Å; V241-I335 HydrophobicContact CG2-CD1 4.4Å; V241-I335 HydrophobicContact CG2-CG2 3.86Å; L281-I335 HydrophobicContact CD2-CD1 3.36Å; F333-I335 VanDerWaalsContact C-N 3.29Å; I335-P337 WeakPolarHBondContact O-CD 3.42Å
336	N	72.2	Confident	73.8	Confident	35 Å²	35	29.7 Å²	29.7	19%	0.187	18%	0.182	C	C	.	.			trans	-82.3	117	169.8	-178.5	18.9	0	0	0	111.8	Y338 A341 I343 I347	N336-Y338 PolarHBondContact ND2-O 3.39Å; N336-Y338 VanDerWaalsContact ND2-O 3.11Å; N336-Y338 PolarHBondContact OD1-N 2.95Å; N336-Y338 PolarHBondContact OD1-O 3.3Å; N336-A341 PolarHBondContact ND2-O 3.41Å; N336-I343 HydrophobicContact CB-CB 4.16Å; N336-I343 HydrophobicContact CB-CG2 4.36Å; N336-I347 HydrophobicContact CB-CD1 3.86Å; N336-I347 WeakPolarHBondContact OD1-CD1 3.29Å
337	P	65.7	Low	73.7	Confident	34 Å²	34	29.7 Å²	29.7	22%	0.221	18%	0.182	C	C	.	.			trans	-96.9	-6.8	-179	35.3	-28.7	0	0	0	113.7	F255 I335	F255-P337 HydrophobicContact CB-CB 3.96Å; F255-P337 HydrophobicContact CB-CG 4.48Å; F255-P337 HydrophobicContact CD1-CB 3.73Å; F255-P337 HydrophobicContact CD1-CG 3.29Å; F255-P337 HydrophobicContact CD2-CB 3.34Å; F255-P337 HydrophobicContact CD2-CG 3.57Å; F255-P337 HydrophobicContact CE1-CB 4.06Å; F255-P337 HydrophobicContact CE1-CG 3.18Å; F255-P337 HydrophobicContact CE2-CB 3.73Å; F255-P337 HydrophobicContact CE2-CG 3.49Å; F255-P337 VanDerWaalsContact CE2-CG 3.49Å; F255-P337 HydrophobicContact CG-CB 3.36Å; F255-P337 HydrophobicContact CG-CG 3.49Å; F255-P337 VanDerWaalsContact CG-CG 3.49Å; F255-P337 HydrophobicContact CZ-CB 4.1Å; F255-P337 HydrophobicContact CZ-CG 3.33Å; I335-P337 WeakPolarHBondContact O-CD 3.42Å
338	Y	69.8	Low	73.7	Confident	9 Å²	9	29 Å²	29	4%	0.035	18%	0.178	C	C	.	.	S	Bend	trans	-102.1	134.8	-179	-63.8	-69.4	0	0	0	111	F255 D256 N336 W490 W497 L522	F255-Y338 HydrophobicContact CD1-CE1 4.29Å; F255-Y338 AromaticContact CD1-CE2 3.88Å; F255-Y338 HydrophobicContact CD1-CE2 3.88Å; F255-Y338 AromaticContact CD1-CZ 3.66Å; F255-Y338 AromaticContact CE1-CE2 3.9Å; F255-Y338 HydrophobicContact CE1-CE2 3.9Å; D256-Y338 WeakPolarHBondContact OD1-CE1 3.35Å; D256-Y338 PolarHBondContact OD1-OH 3.29Å; N336-Y338 PolarHBondContact ND2-O 3.39Å; N336-Y338 VanDerWaalsContact ND2-O 3.11Å; N336-Y338 PolarHBondContact OD1-N 2.95Å; N336-Y338 PolarHBondContact OD1-O 3.3Å; Y338-W490 HydrophobicContact CD1-CD2 4.03Å; Y338-W490 AromaticContact CD1-CE2 3.46Å; Y338-W490 VanDerWaalsContact CD1-CE2 3.46Å; Y338-W490 HydrophobicContact CD1-CH2 4.02Å; Y338-W490 AromaticContact CD1-CZ2 3.46Å; Y338-W490 HydrophobicContact CD1-CZ2 3.46Å; Y338-W490 VanDerWaalsContact CD1-CZ2 3.46Å; Y338-W490 AromaticContact CD1-NE1 3.78Å; Y338-W490 AromaticContact CD2-CD2 4Å; Y338-W490 HydrophobicContact CD2-CD2 4Å; Y338-W490 HydrophobicContact CD2-CE3 4.37Å; Y338-W490 HydrophobicContact CD2-CG 4.12Å; Y338-W490 HydrophobicContact CE1-CD2 4.42Å; Y338-W490 AromaticContact CE1-CE2 3.73Å; Y338-W490 HydrophobicContact CE1-CZ2 4.05Å; Y338-W490 AromaticContact CE1-NE1 3.51Å; Y338-W490 HydrophobicContact CE2-CD2 4.38Å; Y338-W490 HydrophobicContact CE2-CG 4.11Å; Y338-W490 AromaticContact CG-CD2 3.81Å; Y338-W490 HydrophobicContact CG-CD2 3.81Å; Y338-W490 AromaticContact CG-CE2 3.75Å; Y338-W490 HydrophobicContact CG-CE3 4.02Å; Y338-W490 HydrophobicContact CG-CG 4.38Å; Y338-W490 HydrophobicContact CG-CH2 4.12Å; Y338-W490 AromaticContact CG-CZ2 3.92Å; Y338-W490 HydrophobicContact CG-CZ2 3.92Å; Y338-W490 HydrophobicContact CG-CZ3 4.17Å; Y338-W490 AromaticContact CZ-CD1 3.86Å; Y338-W490 AromaticContact CZ-NE1 3.76Å; Y338-W497 AromaticContact CD2-CZ2 3.88Å; Y338-W497 HydrophobicContact CD2-CZ2 3.88Å; Y338-W497 HydrophobicContact CG-CZ2 4.46Å; Y338-L522 HydrophobicContact CD2-CD2 4.23Å; Y338-L522 HydrophobicContact CE2-CD1 3.82Å; Y338-L522 HydrophobicContact CE2-CD2 3.86Å
339	P	56.7	Low	73.7	Confident	47 Å²	47	30 Å²	30	31%	0.305	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	163.9	-179.8	28.8	-33.7	0	0	0	110.9	K252	K252-P339 VanDerWaalsContact CE-CG 3.42Å
340	S	53.6	Low	73.7	Confident	107 Å²	107	29.5 Å²	29.5	75%	0.748	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.1	-7.8	161.7	78.6	0	0	0	0	120.4
341	A	54.6	Low	73.6	Confident	25 Å²	25	30.2 Å²	30.2	21%	0.207	19%	0.185	C	C	.	.	S	Bend	trans	-134.8	136.5	176.7	0	0	0	0	0	112.7	N336 I343 W497	N336-A341 PolarHBondContact ND2-O 3.41Å; A341-I343 HydrophobicContact CB-CD1 4.44Å; A341-I343 HydrophobicContact CB-CG1 4.08Å; A341-I343 PolarHBondContact O-N 3.48Å; A341-W497 HydrophobicContact CB-CB 4.28Å; A341-W497 HydrophobicContact CB-CG 4Å
342	N	61.3	Low	73.8	Confident	141 Å²	141	30.1 Å²	30.1	75%	0.754	18%	0.184	S	C	*	.			trans	-68.1	70.4	169.5	-86.7	-6.6	0	0	0	109.9	S526	N342-S526 VanDerWaalsContact O-CB 3.29Å; N342-S526 WeakPolarHBondContact O-CB 3.17Å; N342-S526 PolarHBondContact O-OG 3.08Å
343	I	70.1	Confident	73.6	Confident	24 Å²	24	30.2 Å²	30.2	12%	0.123	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-81.2	120.2	170.9	-65.8	-179.9	0	0	0	107.3	N336 A341 I347 W497 S525	N336-I343 HydrophobicContact CB-CB 4.16Å; N336-I343 HydrophobicContact CB-CG2 4.36Å; A341-I343 HydrophobicContact CB-CD1 4.44Å; A341-I343 HydrophobicContact CB-CG1 4.08Å; A341-I343 PolarHBondContact O-N 3.48Å; I343-I347 HydrophobicContact CG2-CD1 4.49Å; I343-I347 HydrophobicContact CG2-CG1 4.16Å; I343-W497 HydrophobicContact CD1-CD2 3.47Å; I343-W497 VanDerWaalsContact CD1-CD2 3.47Å; I343-W497 HydrophobicContact CD1-CE3 3.73Å; I343-W497 HydrophobicContact CD1-CG 4.2Å; I343-W497 HydrophobicContact CD1-CH2 3.4Å; I343-W497 VanDerWaalsContact CD1-CH2 3.4Å; I343-W497 HydrophobicContact CD1-CZ2 3.13Å; I343-W497 HydrophobicContact CD1-CZ3 3.7Å; I343-S525 WeakPolarHBondContact CA-O 2.89Å; I343-S525 WeakPolarHBondContact CG2-O 3.27Å
344	S	66.4	Low	73.7	Confident	28 Å²	28	32.4 Å²	32.4	20%	0.196	20%	0.197	C	C	.	.			trans	-108	-21.2	-170.2	57	0	0	0	0	112.3	N377 S525 F527	S344-N377 WeakPolarHBondContact CB-ND2 3.48Å; S344-N377 PolarHBondContact O-ND2 3.48Å; S344-S525 PolarHBondContact N-O 3.31Å; S344-S525 VanDerWaalsContact N-O 3.11Å; S344-F527 WeakPolarHBondContact OG-CA 3.41Å; S344-F527 WeakPolarHBondContact OG-CB 3.44Å; S344-F527 PolarHBondContact OG-N 3.38Å
345	G	71.6	Confident	73.6	Confident	7 Å²	7	31.6 Å²	31.6	7%	0.072	20%	0.197	C	C	.	.	S	Bend	trans	-103.6	178	179.1	0	0	0	0	0	113	S525	G345-S525 PolarHBondContact N-O 2.94Å
346	N	79.6	Confident	73.6	Confident	29 Å²	29	38.8 Å²	38.8	16%	0.155	23%	0.226	C	C	.	.			trans	-61.4	148.4	174.8	-67.5	-10.8	0	0	0	111.7	G305 F333 S334 D373	G305-N346 VanDerWaalsContact CA-ND2 3.28Å; G305-N346 WeakPolarHBondContact CA-ND2 3.47Å; G305-N346 PolarHBondContact O-ND2 3.06Å; F333-N346 CarbonylContact O-C 3.58Å; F333-N346 WeakPolarHBondContact O-CA 3.45Å; S334-N346 WeakPolarHBondContact CA-OD1 3.22Å; N346-D373 PolarHBondContact N-O 3.06Å
347	I	84.3	Confident	73.8	Confident	0 Å²	0	40 Å²	40	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	141.7	171.6	-67.3	-179.9	0	0	0	108.9	T332 F333 N336 I343 W497 L522 F523	T332-I347 CarbonylContact C-O 3.55Å; T332-I347 VanDerWaalsContact CA-O 3.23Å; T332-I347 WeakPolarHBondContact CA-O 3.34Å; F333-I347 PolarHBondContact N-O 3.43Å; F333-I347 PolarHBondContact O-N 3.06Å; N336-I347 HydrophobicContact CB-CD1 3.86Å; N336-I347 WeakPolarHBondContact OD1-CD1 3.29Å; I343-I347 HydrophobicContact CG2-CD1 4.49Å; I343-I347 HydrophobicContact CG2-CG1 4.16Å; I347-W497 HydrophobicContact CD1-CH2 3.95Å; I347-W497 HydrophobicContact CD1-CZ2 4.06Å; I347-W497 HydrophobicContact CG1-CH2 4.39Å; I347-L522 HydrophobicContact CG2-CD1 4.36Å; I347-L522 HydrophobicContact CG2-CD2 3.57Å; I347-L522 HydrophobicContact CG2-CG 3.87Å; I347-F523 CarbonylContact C-O 3.49Å; I347-F523 VanDerWaalsContact CA-O 3.31Å; I347-F523 WeakPolarHBondContact CA-O 3.34Å; I347-F523 WeakPolarHBondContact CG2-O 3.48Å
348	C	86.3	Confident	74.6	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	117.3	177.5	174.8	0	0	0	0	110.3	M330 A331 L372 F523	M330-C348 VanDerWaalsContact CE-SG 3.54Å; A331-C348 CarbonylContact O-C 3.51Å; C348-L372 HydrophobicContact CB-CD2 3.44Å; C348-L372 VanDerWaalsContact CB-CD2 3.44Å; C348-F523 PolarHBondContact N-O 2.94Å; C348-F523 PolarHBondContact O-N 3.42Å
349	N	85.6	Confident	75.4	Confident	21 Å²	21	42.3 Å²	42.3	11%	0.112	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	124.6	169	-173.4	24.9	0	0	0	109.8	M330 A331 L522	M330-N349 CarbonylContact C-O 3.6Å; M330-N349 WeakPolarHBondContact CA-O 3.42Å; A331-N349 HydrophobicContact CB-CB 4.47Å; A331-N349 PolarHBondContact N-O 3.04Å; A331-N349 PolarHBondContact O-N 3.21Å; N349-L522 HydrophobicContact CB-CD1 4.06Å; N349-L522 HydrophobicContact CB-CG 4.25Å
350	F	86.4	Confident	76.6	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.009	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	125.4	-179.7	-170.5	-83.9	0	0	0	111	L299 V308 L310 A328 Q329 M330 L352 L520 T521	L299-F350 HydrophobicContact CB-CE2 4.12Å; L299-F350 HydrophobicContact CD1-CE2 4.4Å; L299-F350 HydrophobicContact CD1-CZ 4.5Å; L299-F350 HydrophobicContact CD2-CE2 3.91Å; L299-F350 HydrophobicContact CD2-CZ 4.35Å; L299-F350 HydrophobicContact CG-CE2 4.36Å; V308-F350 HydrophobicContact CB-CD2 3.98Å; V308-F350 HydrophobicContact CB-CE2 4.15Å; V308-F350 HydrophobicContact CG1-CD2 4.07Å; V308-F350 HydrophobicContact CG1-CE2 4.15Å; V308-F350 HydrophobicContact CG1-CG 4.46Å; V308-F350 HydrophobicContact CG2-CD2 3.96Å; L310-F350 HydrophobicContact CD1-CZ 4.07Å; L310-F350 HydrophobicContact CD2-CE1 3.89Å; L310-F350 HydrophobicContact CD2-CZ 3.93Å; L310-F350 HydrophobicContact CG-CZ 4.27Å; A328-F350 HydrophobicContact CB-CZ 4.19Å; Q329-F350 WeakPolarHBondContact O-CA 3.38Å; M330-F350 HydrophobicContact CB-CD2 3.89Å; M330-F350 HydrophobicContact CB-CE2 4.33Å; M330-F350 HydrophobicContact CG-CD2 4.26Å; F350-L352 HydrophobicContact CE1-CD2 3.62Å; F350-L352 HydrophobicContact CE1-CG 3.89Å; F350-L352 HydrophobicContact CZ-CD2 4.01Å; F350-L520 HydrophobicContact CD1-CD1 3.71Å; F350-L520 HydrophobicContact CD1-CD2 3.57Å; F350-L520 HydrophobicContact CD1-CG 4.14Å; F350-L520 HydrophobicContact CE1-CD1 3.73Å; F350-L520 HydrophobicContact CE1-CD2 4.05Å; F350-L520 HydrophobicContact CG-CD2 4.34Å; F350-T521 PolarHBondContact N-O 3.39Å
351	I	84.3	Confident	78	Confident	14 Å²	14	41.1 Å²	41.1	7%	0.072	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	136.2	-172.7	-59.7	178	0	0	0	109.9	K263 Q329 E358	K263-I351 HydrophobicContact CD-CD1 4.06Å; K263-I351 HydrophobicContact CG-CD1 4.48Å; Q329-I351 PolarHBondContact N-O 3.2Å; Q329-I351 PolarHBondContact O-N 3.36Å; I351-E358 HydrophobicContact CG2-CG 3.92Å
352	L	86.8	Confident	79.4	Confident	1 Å²	1	46 Å²	46	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	142.7	167.4	-62.3	-179.8	0	0	0	110.1	L294 V326 I327 A328 F350 E358 I359 L361 L520	L294-L352 HydrophobicContact CD2-CD1 4.23Å; L294-L352 HydrophobicContact CD2-CD2 4.23Å; V326-L352 HydrophobicContact CG1-CB 4.26Å; V326-L352 HydrophobicContact CG1-CD2 4.11Å; I327-L352 CarbonylContact O-C 2.96Å; I327-L352 WeakPolarHBondContact O-CA 3.43Å; A328-L352 HydrophobicContact CB-CD2 3.59Å; F350-L352 HydrophobicContact CE1-CD2 3.62Å; F350-L352 HydrophobicContact CE1-CG 3.89Å; F350-L352 HydrophobicContact CZ-CD2 4.01Å; L352-E358 WeakPolarHBondContact O-CA 3.46Å; L352-I359 HydrophobicContact CB-CB 4.05Å; L352-I359 PolarHBondContact O-N 2.65Å; L352-L361 HydrophobicContact CD1-CD1 3.63Å; L352-L361 HydrophobicContact CD1-CG 4.08Å; L352-L520 HydrophobicContact CD1-CD1 3.59Å; L352-L520 HydrophobicContact CG-CD1 3.8Å
353	S	83.1	Confident	80.4	Confident	5 Å²	5	45.6 Å²	45.6	4%	0.035	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	149	-178.8	176	0	0	0	0	112	L267 I327 G355 S357	L267-S353 WeakPolarHBondContact CD2-OG 3.49Å; I327-S353 PolarHBondContact N-O 3.39Å; I327-S353 PolarHBondContact O-N 3.49Å; S353-G355 VanDerWaalsContact C-N 3.27Å; S353-G355 PolarHBondContact OG-N 3.13Å; S353-S357 WeakPolarHBondContact CA-O 3.39Å; S353-S357 PolarHBondContact OG-O 3.13Å; S353-S357 VanDerWaalsContact OG-O 3.13Å
354	D	81.9	Confident	81.1	Confident	52 Å²	52	45.2 Å²	45.2	28%	0.278	24%	0.237	S	C	.	.			trans	-88.4	6.6	170.6	72.6	-11.2	0	0	0	112.9	Y323 K356 S357 I359	Y323-D354 HydrophobicContact CD1-CB 3.48Å; Y323-D354 VanDerWaalsContact CD1-CB 3.48Å; Y323-D354 HydrophobicContact CE1-CB 3.68Å; Y323-D354 HydrophobicContact CG-CB 4.31Å; D354-K356 WeakPolarHBondContact OD1-CA 3.46Å; D354-K356 PolarHBondContact OD1-N 3.04Å; D354-S357 PolarHBondContact N-O 3.45Å; D354-S357 VanDerWaalsContact N-O 3.16Å; D354-S357 PolarHBondContact OD1-N 2.9Å; D354-S357 VanDerWaalsContact OD1-O 3.06Å; D354-S357 PolarHBondContact OD1-OG 2.97Å; D354-S357 PolarHBondContact OD2-OG 2.86Å; D354-I359 HydrophobicContact CB-CD1 4.24Å
355	G	72.9	Confident	82	Confident	37 Å²	37	48.8 Å²	48.8	38%	0.381	26%	0.262	S	S	.	.	S	Bend	trans	90.7	-8	-175.1	0	0	0	0	0	114.4	S353	S353-G355 VanDerWaalsContact C-N 3.27Å; S353-G355 PolarHBondContact OG-N 3.13Å
356	K	71.7	Confident	82.8	Confident	197 Å²	197	52.3 Å²	52.3	86%	0.857	28%	0.276	S	S	*	.	S	Bend	trans	-124.7	-36.2	175.4	-66.2	178.8	-177.6	172.6	0	112.7	D354	D354-K356 WeakPolarHBondContact OD1-CA 3.46Å; D354-K356 PolarHBondContact OD1-N 3.04Å
357	S	77.6	Confident	83.2	Confident	61 Å²	61	54.2 Å²	54.2	43%	0.427	29%	0.285	S	S	.	.	S	Bend	trans	-142	154.7	-174	62.9	0	0	0	0	111.1	S353 D354	S353-S357 WeakPolarHBondContact CA-O 3.39Å; S353-S357 PolarHBondContact OG-O 3.13Å; S353-S357 VanDerWaalsContact OG-O 3.13Å; D354-S357 PolarHBondContact N-O 3.45Å; D354-S357 VanDerWaalsContact N-O 3.16Å; D354-S357 PolarHBondContact OD1-N 2.9Å; D354-S357 VanDerWaalsContact OD1-O 3.06Å; D354-S357 PolarHBondContact OD1-OG 2.97Å; D354-S357 PolarHBondContact OD2-OG 2.86Å
358	E	81.6	Confident	83.5	Confident	84 Å²	84	54.2 Å²	54.2	39%	0.393	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	135.6	178.8	-179.8	169.1	-179.7	0	0	111.4	K263 I351 L352	K263-E358 IonicContact NZ-OE2 2.65Å; K263-E358 PolarHBondContact NZ-OE2 2.78Å; I351-E358 HydrophobicContact CG2-CG 3.92Å; L352-E358 WeakPolarHBondContact O-CA 3.46Å
359	I	86.5	Confident	83.8	Confident	6 Å²	6	55.7 Å²	55.7	3%	0.031	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	107.1	176.9	-56	169.6	0	0	0	107.6	T319 I320 Y323 V326 L352 D354	T319-I359 HydrophobicContact CG2-CG2 4.22Å; I320-I359 HydrophobicContact CG2-CG2 4.42Å; Y323-I359 HydrophobicContact CD1-CD1 4.46Å; Y323-I359 HydrophobicContact CD2-CD1 3.77Å; Y323-I359 HydrophobicContact CD2-CG1 4.48Å; Y323-I359 HydrophobicContact CE1-CD1 4.47Å; Y323-I359 HydrophobicContact CE2-CD1 3.8Å; Y323-I359 HydrophobicContact CE2-CG1 3.99Å; Y323-I359 HydrophobicContact CE2-CG2 4.26Å; Y323-I359 HydrophobicContact CG-CD1 4.12Å; V326-I359 HydrophobicContact CG1-CD1 4.15Å; V326-I359 HydrophobicContact CG2-CD1 4.3Å; L352-I359 HydrophobicContact CB-CB 4.05Å; L352-I359 PolarHBondContact O-N 2.65Å; D354-I359 HydrophobicContact CB-CD1 4.24Å
360	K	82.5	Confident	84	Confident	130 Å²	130	54.7 Å²	54.7	57%	0.565	29%	0.287	S	S	*	.			trans	-81.3	130	175.9	-65.1	-171	174.3	-168.9	0	110.9
361	L	84.1	Confident	84.2	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.289	C	S	.	.			trans	-110.3	122.2	169.5	-63.5	-173	0	0	0	109.2	M316 T319 I320 L352 L364 H519 L520	M316-L361 HydrophobicContact CG-CD1 4.19Å; M316-L361 HydrophobicContact SD-CD1 3.88Å; T319-L361 HydrophobicContact CG2-CD2 3.66Å; I320-L361 HydrophobicContact CG2-CD2 4.1Å; L352-L361 HydrophobicContact CD1-CD1 3.63Å; L352-L361 HydrophobicContact CD1-CG 4.08Å; L361-L364 HydrophobicContact CB-CD1 4.12Å; L361-L364 HydrophobicContact CB-CD2 4.33Å; L361-L364 HydrophobicContact CB-CG 4.41Å; L361-L364 HydrophobicContact CD1-CD1 4.33Å; L361-L364 HydrophobicContact CD1-CD2 4.42Å; L361-H519 CarbonylContact O-C 3.53Å; L361-H519 WeakPolarHBondContact O-CA 3.34Å; L361-H519 WeakPolarHBondContact O-CB 3.23Å; L361-L520 HydrophobicContact CB-CB 4.49Å; L361-L520 HydrophobicContact CB-CD1 4.04Å; L361-L520 HydrophobicContact CB-CG 4.12Å; L361-L520 HydrophobicContact CD1-CD1 3.56Å; L361-L520 HydrophobicContact CD1-CG 4.26Å; L361-L520 HydrophobicContact CG-CD1 3.91Å; L361-L520 PolarHBondContact O-N 2.9Å
362	E	83.4	Confident	84.3	Confident	126 Å²	126	54.4 Å²	54.4	59%	0.589	29%	0.285	S	S	*	.			trans	-140.4	149.9	179.5	-65.7	175.5	-163.5	0	0	109.2	L364 H519	E362-L364 PolarHBondContact O-N 3.07Å; E362-H519 HydrophobicContact CG-CB 4.36Å
363	N	82.4	Confident	84.1	Confident	134 Å²	134	54.9 Å²	54.9	72%	0.717	29%	0.288	S	S	*	.	S	Bend	trans	55.7	42.7	178.6	-63	-35.1	0	0	0	114.5	N518	N363-N518 PolarHBondContact N-O 3.41Å; N363-N518 VanDerWaalsContact N-O 3.1Å
364	L	84.1	Confident	83.6	Confident	15 Å²	15	55.4 Å²	55.4	8%	0.079	29%	0.289	C	S	.	.			trans	-64.4	140.8	176.2	-64	166.2	0	0	0	111.3	P311 M316 L361 E362 E366 V368 N518	P311-L364 HydrophobicContact CG-CD1 4.26Å; M316-L364 HydrophobicContact CG-CD2 4.12Å; L361-L364 HydrophobicContact CB-CD1 4.12Å; L361-L364 HydrophobicContact CB-CD2 4.33Å; L361-L364 HydrophobicContact CB-CG 4.41Å; L361-L364 HydrophobicContact CD1-CD1 4.33Å; L361-L364 HydrophobicContact CD1-CD2 4.42Å; E362-L364 PolarHBondContact O-N 3.07Å; L364-E366 VanDerWaalsContact C-N 3.3Å; L364-E366 VanDerWaalsContact CB-O 3.24Å; L364-E366 WeakPolarHBondContact CB-O 3.46Å; L364-V368 HydrophobicContact CD1-CG2 3.7Å; L364-N518 PolarHBondContact N-O 3.04Å
365	S	84.6	Confident	82.6	Confident	104 Å²	104	59.6 Å²	59.6	73%	0.727	30%	0.301	S	S	*	.	S	Bend	trans	-71.1	-28	176.2	55	0	0	0	0	112.8
366	E	88.5	Confident	81.7	Confident	80 Å²	80	65.2 Å²	65.2	37%	0.374	32%	0.322	S	S	.	.	S	Bend	trans	-114.4	138	173.1	-75.3	175.2	-148.8	0	0	109.1	P311 S312 A315 L364	P311-E366 HydrophobicContact CB-CB 3.77Å; P311-E366 HydrophobicContact CG-CB 4.41Å; P311-E366 WeakPolarHBondContact CG-O 3.48Å; S312-E366 WeakPolarHBondContact CB-OE2 3.31Å; S312-E366 PolarHBondContact N-OE2 3.16Å; S312-E366 PolarHBondContact OG-OE1 3.04Å; S312-E366 PolarHBondContact OG-OE2 3.22Å; A315-E366 HydrophobicContact CB-CB 3.86Å; A315-E366 HydrophobicContact CB-CG 4.1Å; L364-E366 VanDerWaalsContact C-N 3.3Å; L364-E366 VanDerWaalsContact CB-O 3.24Å; L364-E366 WeakPolarHBondContact CB-O 3.46Å
367	M	89.1	Confident	80.8	Confident	69 Å²	69	59.6 Å²	59.6	34%	0.34	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-76.7	142.2	-176.9	-61.9	-71	178.8	0	0	111.1	L516 C517 N518	M367-L516 HydrophobicContact CB-CB 4.08Å; M367-L516 HydrophobicContact CB-CD2 4.32Å; M367-L516 HydrophobicContact CG-CB 4.29Å; M367-C517 WeakPolarHBondContact CA-O 3.42Å; M367-C517 VanDerWaalsContact SD-C 3.54Å; M367-N518 HydrophobicContact CE-CB 4.14Å; M367-N518 HydrophobicContact SD-CB 3.64Å; M367-N518 PolarHBondContact SD-N 2.98Å
368	V	90.3	Very high	79.4	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	126.7	165.1	-172.9	0	0	0	0	108	V308 L310 P311 L364 I370 L516 C517 L520	V308-V368 HydrophobicContact CG1-CG1 3.52Å; L310-V368 HydrophobicContact CD2-CG1 4.3Å; P311-V368 HydrophobicContact CG-CG2 4Å; L364-V368 HydrophobicContact CD1-CG2 3.7Å; V368-I370 HydrophobicContact CG1-CD1 4.47Å; V368-I370 HydrophobicContact CG1-CG1 4.05Å; V368-L516 WeakPolarHBondContact O-CA 3.42Å; V368-C517 PolarHBondContact N-O 3.49Å; V368-C517 PolarHBondContact O-N 3.32Å; V368-L520 HydrophobicContact CB-CD2 4.43Å; V368-L520 HydrophobicContact CG1-CD2 3.99Å; V368-L520 HydrophobicContact CG2-CD2 3.86Å
369	E	92	Very high	77.8	Confident	32 Å²	32	60.8 Å²	60.8	15%	0.15	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	118.4	175	-63.1	-179.7	-112.6	0	0	109	V308 K309 F371 K507 H514 L516	V308-E369 CarbonylContact C-O 3.37Å; V308-E369 WeakPolarHBondContact CA-O 3.35Å; K309-E369 HydrophobicContact CB-CB 4.19Å; K309-E369 WeakPolarHBondContact CD-OE1 3.34Å; K309-E369 PolarHBondContact N-O 3.5Å; K309-E369 IonicContact NZ-OE1 3.52Å; K309-E369 PolarHBondContact NZ-OE1 2.91Å; K309-E369 PolarHBondContact O-N 3.27Å; E369-F371 HydrophobicContact CB-CE2 3.71Å; E369-F371 HydrophobicContact CB-CZ 4.28Å; E369-K507 IonicContact OE2-NZ 2.79Å; E369-K507 PolarHBondContact OE2-NZ 3.47Å; E369-H514 IonicContact OE2-CE1 3.76Å; E369-H514 IonicContact OE2-NE2 2.63Å; E369-H514 PolarHBondContact OE2-NE2 3Å; E369-L516 HydrophobicContact CB-CD2 4.39Å; E369-L516 HydrophobicContact CG-CD2 3.72Å
370	I	89.9	Confident	76.3	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	127.5	-177.5	-58.8	151.9	0	0	0	108.6	V308 V368 L372 C515 C517 F523	V308-I370 HydrophobicContact CG1-CG1 4.32Å; V308-I370 HydrophobicContact CG2-CG1 4.23Å; V308-I370 HydrophobicContact CG2-CG2 4.29Å; V368-I370 HydrophobicContact CG1-CD1 4.47Å; V368-I370 HydrophobicContact CG1-CG1 4.05Å; I370-L372 HydrophobicContact CG2-CD2 3.99Å; I370-L372 HydrophobicContact CG2-CG 4.16Å; I370-C515 HydrophobicContact CB-CB 4.19Å; I370-C515 PolarHBondContact N-O 3.31Å; I370-C515 PolarHBondContact O-N 3.01Å; I370-C517 HydrophobicContact CD1-CB 3.99Å; I370-F523 HydrophobicContact CD1-CB 4.48Å; I370-F523 HydrophobicContact CD1-CD1 3.66Å; I370-F523 HydrophobicContact CD1-CD2 3.53Å; I370-F523 HydrophobicContact CD1-CE1 3.6Å; I370-F523 HydrophobicContact CD1-CE2 3.47Å; I370-F523 VanDerWaalsContact CD1-CE2 3.47Å; I370-F523 HydrophobicContact CD1-CG 3.62Å; I370-F523 HydrophobicContact CD1-CZ 3.5Å; I370-F523 HydrophobicContact CG1-CD2 4.36Å; I370-F523 HydrophobicContact CG1-CE2 4.4Å; I370-F523 HydrophobicContact CG2-CB 4.45Å
371	F	89.9	Confident	74.9	Confident	10 Å²	10	59.7 Å²	59.7	4%	0.044	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	120.7	-178.1	-62.8	-95.4	0	0	0	110.1	G306 F307 E369 K507 L512 T513 H514	G306-F371 CarbonylContact C-O 3.48Å; G306-F371 WeakPolarHBondContact CA-O 3.48Å; F307-F371 HydrophobicContact CD1-CB 3.74Å; F307-F371 HydrophobicContact CD1-CG 4.32Å; F307-F371 HydrophobicContact CD2-CB 4.13Å; F307-F371 AromaticContact CD2-CD2 3.47Å; F307-F371 HydrophobicContact CD2-CD2 3.47Å; F307-F371 VanDerWaalsContact CD2-CD2 3.47Å; F307-F371 HydrophobicContact CD2-CE2 4.11Å; F307-F371 AromaticContact CD2-CG 4Å; F307-F371 HydrophobicContact CD2-CG 4Å; F307-F371 HydrophobicContact CE1-CB 3.5Å; F307-F371 HydrophobicContact CE1-CD1 4.31Å; F307-F371 HydrophobicContact CE1-CD2 4.25Å; F307-F371 AromaticContact CE1-CG 3.79Å; F307-F371 HydrophobicContact CE1-CG 3.79Å; F307-F371 HydrophobicContact CE2-CB 3.93Å; F307-F371 HydrophobicContact CE2-CD1 4.11Å; F307-F371 AromaticContact CE2-CD2 3.05Å; F307-F371 HydrophobicContact CE2-CD2 3.05Å; F307-F371 HydrophobicContact CE2-CE1 4.39Å; F307-F371 AromaticContact CE2-CE2 3.43Å; F307-F371 HydrophobicContact CE2-CE2 3.43Å; F307-F371 VanDerWaalsContact CE2-CE2 3.43Å; F307-F371 AromaticContact CE2-CG 3.43Å; F307-F371 HydrophobicContact CE2-CG 3.43Å; F307-F371 VanDerWaalsContact CE2-CG 3.43Å; F307-F371 HydrophobicContact CE2-CZ 4.09Å; F307-F371 HydrophobicContact CG-CB 4.04Å; F307-F371 HydrophobicContact CG-CD2 4.23Å; F307-F371 HydrophobicContact CG-CG 4.41Å; F307-F371 HydrophobicContact CZ-CB 3.61Å; F307-F371 AromaticContact CZ-CD1 3.69Å; F307-F371 HydrophobicContact CZ-CD1 3.69Å; F307-F371 AromaticContact CZ-CD2 3.5Å; F307-F371 HydrophobicContact CZ-CD2 3.5Å; F307-F371 VanDerWaalsContact CZ-CD2 3.5Å; F307-F371 HydrophobicContact CZ-CE1 4.18Å; F307-F371 HydrophobicContact CZ-CE2 4.01Å; F307-F371 AromaticContact CZ-CG 3.3Å; F307-F371 HydrophobicContact CZ-CG 3.3Å; F307-F371 HydrophobicContact CZ-CZ 4.33Å; F307-F371 PolarHBondContact N-O 3.4Å; F307-F371 PolarHBondContact O-N 2.89Å; E369-F371 HydrophobicContact CB-CE2 3.71Å; E369-F371 HydrophobicContact CB-CZ 4.28Å; F371-K507 HydrophobicContact CE1-CB 4.07Å; F371-K507 HydrophobicContact CE1-CD 3.98Å; F371-K507 HydrophobicContact CZ-CD 3.95Å; F371-L512 HydrophobicContact CB-CD1 4.19Å; F371-L512 HydrophobicContact CB-CD2 4.27Å; F371-L512 HydrophobicContact CB-CG 4.36Å; F371-L512 HydrophobicContact CD1-CD2 3.77Å; F371-L512 HydrophobicContact CD1-CG 4.4Å; F371-L512 HydrophobicContact CG-CD2 4.46Å; F371-T513 CarbonylContact C-O 3.59Å; F371-T513 VanDerWaalsContact CA-O 3.27Å; F371-T513 WeakPolarHBondContact CA-O 3.22Å; F371-H514 HydrophobicContact CD1-CB 4.07Å; F371-H514 AromaticContact CD1-CD2 3.86Å; F371-H514 HydrophobicContact CE1-CB 3.92Å; F371-H514 AromaticContact CE1-CD2 3.34Å; F371-H514 WeakPolarHBondContact CE1-CD2 3.3Å; F371-H514 AromaticContact CE1-CG 3.6Å; F371-H514 AromaticContact CE1-NE2 3.95Å; F371-H514 AromaticContact CE2-CD2 3.84Å; F371-H514 AromaticContact CZ-CD2 3.32Å; F371-H514 WeakPolarHBondContact CZ-CD2 3.32Å; F371-H514 AromaticContact CZ-CG 3.99Å; F371-H514 AromaticContact CZ-NE2 3.51Å
372	L	87.1	Confident	73.9	Confident	0 Å²	0	63 Å²	63	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	118.9	-174.9	-58.5	174.9	0	0	0	111	C348 I370 T513	C348-L372 HydrophobicContact CB-CD2 3.44Å; C348-L372 VanDerWaalsContact CB-CD2 3.44Å; I370-L372 HydrophobicContact CG2-CD2 3.99Å; I370-L372 HydrophobicContact CG2-CG 4.16Å; L372-T513 PolarHBondContact N-O 2.76Å; L372-T513 PolarHBondContact O-N 3.49Å; L372-T513 PolarHBondContact O-OG1 2.73Å
373	D	83.4	Confident	73	Confident	11 Å²	11	59.6 Å²	59.6	6%	0.059	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	150.9	-178.7	-166.6	-3.2	0	0	0	112.6	G305 N346 R375	G305-D373 VanDerWaalsContact O-CB 3.28Å; G305-D373 WeakPolarHBondContact O-CB 3.32Å; G305-D373 PolarHBondContact O-N 3.46Å; G305-D373 VanDerWaalsContact O-N 3.16Å; N346-D373 PolarHBondContact N-O 3.06Å; D373-R375 WeakPolarHBondContact OD1-CG 3.29Å; D373-R375 PolarHBondContact OD1-N 3.49Å; D373-R375 IonicContact OD1-NE 3.58Å; D373-R375 PolarHBondContact OD1-NE 2.93Å; D373-R375 IonicContact OD2-CZ 3.2Å; D373-R375 VanDerWaalsContact OD2-CZ 3.25Å; D373-R375 IonicContact OD2-NE 3.89Å; D373-R375 PolarHBondContact OD2-NE 2.92Å; D373-R375 IonicContact OD2-NH2 3.89Å; D373-R375 PolarHBondContact OD2-NH2 3.41Å
374	R	72.3	Confident	72.6	Confident	16 Å²	16	58.2 Å²	58.2	6%	0.06	34%	0.337	C	S	.	.			trans	-140.1	11.4	-172.4	-57.7	-176.5	168.8	175.5	-1.9	115.7	N376 N377 T485 E511 T513 S525	R374-N376 PolarHBondContact O-N 3.49Å; R374-N377 PolarHBondContact O-N 3.09Å; R374-T485 PolarHBondContact NH1-OG1 2.8Å; R374-T485 PolarHBondContact NH2-OG1 3.19Å; R374-E511 VanDerWaalsContact CB-O 3.32Å; R374-E511 WeakPolarHBondContact CB-O 3.31Å; R374-E511 PolarHBondContact N-O 3.2Å; R374-T513 PolarHBondContact NE-OG1 3.33Å; R374-T513 PolarHBondContact NH2-OG1 3.11Å; R374-S525 PolarHBondContact NH2-OG 3.12Å; R374-S525 VanDerWaalsContact NH2-OG 3.11Å
375	R	61	Low	72.2	Confident	140 Å²	140	59.6 Å²	59.6	53%	0.528	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-11.4	-172.8	-81.1	-180	-85.5	-176.4	-4	118	Q302 D373	Q302-R375 PolarHBondContact O-NH2 3.05Å; D373-R375 WeakPolarHBondContact OD1-CG 3.29Å; D373-R375 PolarHBondContact OD1-N 3.49Å; D373-R375 IonicContact OD1-NE 3.58Å; D373-R375 PolarHBondContact OD1-NE 2.93Å; D373-R375 IonicContact OD2-CZ 3.2Å; D373-R375 VanDerWaalsContact OD2-CZ 3.25Å; D373-R375 IonicContact OD2-NE 3.89Å; D373-R375 PolarHBondContact OD2-NE 2.92Å; D373-R375 IonicContact OD2-NH2 3.89Å; D373-R375 PolarHBondContact OD2-NH2 3.41Å
376	N	54.4	Low	71.9	Confident	154 Å²	154	58.2 Å²	58.2	82%	0.824	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-1.5	-177.7	-74.1	-7.9	0	0	0	116.3	R374	R374-N376 PolarHBondContact O-N 3.49Å
377	N	51.3	Low	71.3	Confident	79 Å²	79	54.5 Å²	54.5	42%	0.422	32%	0.315	S	S	.	.	S	Bend	trans	-112.8	129	-174.1	-75.9	4	0	0	0	115.1	S344 R374	S344-N377 WeakPolarHBondContact CB-ND2 3.48Å; S344-N377 PolarHBondContact O-ND2 3.48Å; R374-N377 PolarHBondContact O-N 3.09Å
378	S	48.3	Very low	70.6	Confident	79 Å²	79	54.1 Å²	54.1	55%	0.552	32%	0.317	S	S	*	.			trans	19.5	130.3	165.1	61.4	0	0	0	0	120.7	L380	S378-L380 PolarHBondContact O-N 3.29Å
379	A	48.7	Very low	69.5	Low	91 Å²	91	60.1 Å²	60.1	75%	0.752	34%	0.343	S	S	*	.			trans	-44.8	126.1	170.9	0	0	0	0	0	114	T381	A379-T381 PolarHBondContact O-N 2.83Å
380	L	55.7	Low	68.3	Low	56 Å²	56	66 Å²	66	29%	0.293	38%	0.375	S	S	.	.			trans	-66	125.4	174.4	-165.3	70.8	0	0	0	109.4	S378 S382 N481 Y483 P510	S378-L380 PolarHBondContact O-N 3.29Å; L380-S382 PolarHBondContact O-N 3.21Å; L380-N481 HydrophobicContact CD2-CB 3.77Å; L380-N481 WeakPolarHBondContact CD2-ND2 3.2Å; L380-N481 HydrophobicContact CG-CB 4.22Å; L380-Y483 HydrophobicContact CD1-CD1 4.16Å; L380-P510 HydrophobicContact CD1-CB 4.39Å; L380-P510 HydrophobicContact CD1-CG 4.36Å; L380-P510 HydrophobicContact CD2-CB 4.49Å; L380-P510 HydrophobicContact CD2-CG 3.97Å
381	T	53.2	Low	67.6	Low	58 Å²	58	68.9 Å²	68.9	36%	0.356	39%	0.393	S	S	.	.			trans	-82.8	113.6	172.7	-54.8	0	0	0	0	108.6	A379 N532	A379-T381 PolarHBondContact O-N 2.83Å; T381-N532 WeakPolarHBondContact CG2-ND2 3.39Å; T381-N532 WeakPolarHBondContact CG2-OD1 3.5Å
382	S	62.1	Low	67.2	Low	69 Å²	69	73.3 Å²	73.3	48%	0.483	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	140	176.4	58.9	0	0	0	0	111.6	L380 N479 N481	L380-S382 PolarHBondContact O-N 3.21Å; S382-N479 VanDerWaalsContact CB-OD1 3.3Å; S382-N479 WeakPolarHBondContact CB-OD1 3.46Å; S382-N481 WeakPolarHBondContact CA-OD1 3.44Å; S382-N481 WeakPolarHBondContact CB-OD1 3.01Å
383	S	65.5	Low	66.9	Low	54 Å²	54	73.7 Å²	73.7	38%	0.378	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	125	172.2	59.7	0	0	0	0	109.2	I480	S383-I480 PolarHBondContact N-O 2.79Å; S383-I480 PolarHBondContact O-N 3.4Å; S383-I480 PolarHBondContact OG-O 3.07Å
384	T	73.4	Confident	66.8	Low	106 Å²	106	75.9 Å²	75.9	65%	0.65	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	128.5	177.6	49.8	0	0	0	0	109.6	L478	T384-L478 CarbonylContact C-O 3.59Å; T384-L478 VanDerWaalsContact CA-O 3.31Å; T384-L478 WeakPolarHBondContact CA-O 3.03Å
385	V	74.8	Confident	67.2	Low	43 Å²	43	76.1 Å²	76.1	26%	0.261	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	129.2	-178.7	-177.8	0	0	0	0	109	L478 I480	V385-L478 PolarHBondContact N-O 3.41Å; V385-L478 PolarHBondContact O-N 3.32Å; V385-I480 HydrophobicContact CB-CD1 4.45Å; V385-I480 HydrophobicContact CG2-CD1 4.08Å
386	V	78.8	Confident	68.1	Low	76 Å²	76	74.8 Å²	74.8	46%	0.461	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	127.9	176.4	-176.9	0	0	0	0	109.4	E475 T477	V386-E475 HydrophobicContact CG1-CB 3.82Å; V386-E475 HydrophobicContact CG1-CG 4.23Å; V386-T477 HydrophobicContact CG2-CG2 4.44Å
387	L	76.3	Confident	69.3	Low	2 Å²	2	67.7 Å²	67.7	1%	0.01	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	140	175.3	-70.1	-175.6	0	0	0	111.7	T391 L467 V476 L478	L387-T391 WeakPolarHBondContact CA-OG1 3.28Å; L387-L467 HydrophobicContact CB-CD1 3.96Å; L387-L467 HydrophobicContact CD1-CG 4.36Å; L387-V476 PolarHBondContact N-O 3.41Å; L387-V476 PolarHBondContact O-N 3.02Å; L387-L478 HydrophobicContact CD1-CD1 3.24Å; L387-L478 HydrophobicContact CD1-CG 3.91Å; L387-L478 HydrophobicContact CG-CD1 3.9Å; L387-L478 HydrophobicContact CG-CG 4.22Å
388	T	74.9	Confident	70.5	Confident	61 Å²	61	66.9 Å²	66.9	37%	0.374	39%	0.39	S	S	.	.			trans	-115.6	171.7	166.3	64.2	0	0	0	0	110.6	D390 T391 E475	T388-D390 PolarHBondContact O-N 3.4Å; T388-T391 PolarHBondContact N-OG1 3.09Å; T388-T391 PolarHBondContact O-N 3.46Å; T388-T391 PolarHBondContact O-OG1 2.97Å; T388-T391 WeakPolarHBondContact OG1-CG2 3.45Å; T388-T391 PolarHBondContact OG1-OG1 3.12Å; T388-E475 HydrophobicContact CG2-CG 4.13Å
389	K	66.3	Low	71.9	Confident	125 Å²	125	63.3 Å²	63.3	54%	0.543	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-27.1	-168.6	-166.8	175.1	178.9	-179.5	0	116.2
390	D	67.5	Low	73.1	Confident	156 Å²	156	63.5 Å²	63.5	83%	0.834	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.2	8.8	-178.8	-61.8	-50.9	0	0	0	113.9	T388	T388-D390 PolarHBondContact O-N 3.4Å
391	T	75.6	Confident	74	Confident	60 Å²	60	63.3 Å²	63.3	37%	0.368	36%	0.36	S	S	.	.			trans	-96.5	151.6	178.8	58	0	0	0	0	111.4	L387 T388	L387-T391 WeakPolarHBondContact CA-OG1 3.28Å; T388-T391 PolarHBondContact N-OG1 3.09Å; T388-T391 PolarHBondContact O-N 3.46Å; T388-T391 PolarHBondContact O-OG1 2.97Å; T388-T391 WeakPolarHBondContact OG1-CG2 3.45Å; T388-T391 PolarHBondContact OG1-OG1 3.12Å
392	K	79.9	Confident	75	Confident	103 Å²	103	61.9 Å²	61.9	45%	0.448	35%	0.351	S	S	.	.			trans	-123	144.1	175.4	55.7	170.7	-176	170.9	0	109.9	V394 E464 R466	K392-V394 HydrophobicContact CD-CG2 4.35Å; K392-E464 HydrophobicContact CB-CG 4.21Å; K392-E464 HydrophobicContact CD-CG 4.06Å; K392-E464 VanDerWaalsContact CD-OE1 3.29Å; K392-E464 WeakPolarHBondContact CD-OE1 3.45Å; K392-E464 WeakPolarHBondContact CD-OE2 3.28Å; K392-E464 IonicContact NZ-OE1 2.71Å; K392-E464 IonicContact NZ-OE2 3.73Å; K392-E464 PolarHBondContact NZ-OE2 3.46Å; K392-R466 HydrophobicContact CB-CG 4.21Å
393	S	81.6	Confident	75.8	Confident	8 Å²	8	62.7 Å²	62.7	6%	0.056	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	134.6	169.3	-178.7	0	0	0	0	108.1	E464 V465	S393-E464 CarbonylContact O-C 3.47Å; S393-E464 WeakPolarHBondContact O-CA 3.18Å; S393-V465 PolarHBondContact N-O 2.96Å; S393-V465 PolarHBondContact O-N 3.41Å
394	V	82.1	Confident	76.6	Confident	58 Å²	58	60.7 Å²	60.7	35%	0.352	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	117.8	173.7	-178	0	0	0	0	108.1	K392 P427 Y462 V463 E464	K392-V394 HydrophobicContact CD-CG2 4.35Å; V394-P427 HydrophobicContact CG1-CB 4.28Å; V394-Y462 HydrophobicContact CG1-CD1 3.89Å; V394-V463 CarbonylContact C-O 3.44Å; V394-V463 WeakPolarHBondContact CA-O 3.48Å; V394-E464 HydrophobicContact CG2-CB 4.21Å; V394-E464 HydrophobicContact CG2-CG 3.96Å
395	S	79.4	Confident	77.3	Confident	20 Å²	20	56.2 Å²	56.2	14%	0.14	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	125.7	175.4	-60.1	0	0	0	0	109.4	Y462 V463	S395-Y462 WeakPolarHBondContact O-CA 3.47Å; S395-V463 PolarHBondContact N-O 3.07Å; S395-V463 PolarHBondContact O-N 3.39Å
396	Q	81.1	Confident	77.8	Confident	113 Å²	113	54.1 Å²	54.1	53%	0.528	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	131.2	172.6	-174.6	-177	-1.5	0	0	109.8	A460 W461 Y462	Q396-A460 HydrophobicContact CG-CB 4.4Å; Q396-W461 CarbonylContact C-O 3.57Å; Q396-W461 WeakPolarHBondContact CA-O 3.37Å; Q396-Y462 HydrophobicContact CB-CD1 4.07Å; Q396-Y462 HydrophobicContact CB-CE1 3.91Å; Q396-Y462 HydrophobicContact CG-CD1 4.23Å; Q396-Y462 HydrophobicContact CG-CE1 3.8Å
397	I	78.3	Confident	78.2	Confident	5 Å²	5	50.8 Å²	50.8	3%	0.026	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	120.2	178.3	-51.7	173.8	0	0	0	108.2	V399 I406 F408 W461 V463 T482 M530	I397-V399 HydrophobicContact CG2-CG2 4.32Å; I397-I406 HydrophobicContact CD1-CG2 4.25Å; I397-I406 HydrophobicContact CG2-CD1 4.04Å; I397-I406 HydrophobicContact CG2-CG2 4.48Å; I397-F408 HydrophobicContact CD1-CD2 4.32Å; I397-W461 PolarHBondContact N-O 2.89Å; I397-W461 PolarHBondContact O-N 2.87Å; I397-V463 HydrophobicContact CD1-CB 4.45Å; I397-V463 HydrophobicContact CD1-CG2 3.5Å; I397-V463 VanDerWaalsContact CD1-CG2 3.5Å; I397-V463 HydrophobicContact CG1-CG2 4.4Å; I397-T482 HydrophobicContact CD1-CG2 3.94Å; I397-T482 HydrophobicContact CG1-CG2 4.45Å; I397-M530 HydrophobicContact CG2-CE 4.48Å; I397-M530 HydrophobicContact CG2-SD 4.48Å
398	N	77.9	Confident	78.8	Confident	62 Å²	62	50.8 Å²	50.8	33%	0.332	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	111.2	177.7	-167.6	13.6	0	0	0	109.6	G459 M530	N398-G459 PolarHBondContact OD1-O 2.95Å; N398-M530 HydrophobicContact CB-SD 4.37Å
399	V	76.6	Confident	79.4	Confident	3 Å²	3	48.6 Å²	48.6	2%	0.018	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	105.1	-176.9	-178.3	0	0	0	0	108.6	I397 D401 T402 I406 L454 S458 G459 W461	I397-V399 HydrophobicContact CG2-CG2 4.32Å; V399-D401 VanDerWaalsContact CG1-O 3.24Å; V399-D401 WeakPolarHBondContact CG1-O 3.03Å; V399-T402 HydrophobicContact CG1-CG2 4.48Å; V399-I406 HydrophobicContact CG2-CD1 3.65Å; V399-L454 HydrophobicContact CG1-CD1 4.25Å; V399-L454 HydrophobicContact CG2-CD1 4.47Å; V399-S458 CarbonylContact O-C 3.49Å; V399-S458 VanDerWaalsContact O-CA 3.29Å; V399-S458 WeakPolarHBondContact O-CA 3.33Å; V399-S458 WeakPolarHBondContact O-CB 3.49Å; V399-G459 PolarHBondContact N-O 3.29Å; V399-G459 PolarHBondContact O-N 3.17Å; V399-W461 HydrophobicContact CG2-CB 4.47Å; V399-W461 VanDerWaalsContact CG2-CD1 3.47Å; V399-W461 HydrophobicContact CG2-CG 4.16Å
400	S	74.9	Confident	80.3	Confident	95 Å²	95	42.6 Å²	42.6	66%	0.664	23%	0.232	S	C	*	.	S	Bend	trans	-86.2	-39.2	174.5	56.3	0	0	0	0	112.6
401	D	73.1	Confident	81.2	Confident	52 Å²	52	39.8 Å²	39.8	28%	0.278	21%	0.213	S	C	.	.			trans	-108.7	116.3	177.5	-175.4	-9.2	0	0	0	108.5	V399 E403 M404	V399-D401 VanDerWaalsContact CG1-O 3.24Å; V399-D401 WeakPolarHBondContact CG1-O 3.03Å; D401-E403 VanDerWaalsContact C-N 3.32Å; D401-E403 PolarHBondContact OD1-N 3.31Å; D401-E403 VanDerWaalsContact OD1-N 3.07Å; D401-M404 HydrophobicContact CB-CE 4.14Å; D401-M404 HydrophobicContact CB-CG 4.1Å
402	T	74.9	Confident	81.8	Confident	28 Å²	28	37.9 Å²	37.9	17%	0.172	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-8.9	-171.6	59.3	0	0	0	0	113.1	V399 P451 N456	V399-T402 HydrophobicContact CG1-CG2 4.48Å; T402-P451 WeakPolarHBondContact O-CB 3.47Å; T402-N456 WeakPolarHBondContact CG2-O 3.41Å; T402-N456 PolarHBondContact OG1-O 2.9Å
403	E	78.9	Confident	82	Confident	86 Å²	86	36.4 Å²	36.4	40%	0.402	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-1.8	178.4	-61.4	-173.5	163.9	0	0	112.8	D401 P451 R486	D401-E403 VanDerWaalsContact C-N 3.32Å; D401-E403 PolarHBondContact OD1-N 3.31Å; D401-E403 VanDerWaalsContact OD1-N 3.07Å; E403-P451 WeakPolarHBondContact O-CG 3.35Å; E403-R486 WeakPolarHBondContact O-CD 3.41Å; E403-R486 IonicContact OE2-NH1 3.16Å; E403-R486 PolarHBondContact OE2-NH1 3.2Å
404	M	82.1	Confident	82.1	Confident	13 Å²	13	39.2 Å²	39.2	6%	0.064	22%	0.218	C	C	.	.	S	Bend	trans	-85.8	147.3	177.7	-67.5	-138.6	-86.3	0	0	112.6	D401 L484 R486 F528	D401-M404 HydrophobicContact CB-CE 4.14Å; D401-M404 HydrophobicContact CB-CG 4.1Å; M404-L484 HydrophobicContact CB-CD2 4.12Å; M404-L484 HydrophobicContact CE-CB 3.85Å; M404-L484 HydrophobicContact CE-CD1 4.31Å; M404-L484 HydrophobicContact CE-CG 4.45Å; M404-L484 HydrophobicContact SD-CB 4.17Å; M404-R486 HydrophobicContact CG-CB 4.35Å; M404-R486 HydrophobicContact SD-CB 4.49Å; M404-F528 HydrophobicContact CE-CB 4.06Å
405	T	87.5	Confident	82.2	Confident	11 Å²	11	42.3 Å²	42.3	7%	0.067	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	129.3	170.6	-56.3	0	0	0	0	109.3	L407 L448 I449 T485 V504	T405-L407 HydrophobicContact CG2-CD1 4.33Å; T405-L448 HydrophobicContact CG2-CB 4.44Å; T405-L448 HydrophobicContact CG2-CD2 3.89Å; T405-L448 HydrophobicContact CG2-CG 3.72Å; T405-I449 WeakPolarHBondContact CA-O 3.35Å; T405-I449 WeakPolarHBondContact CG2-O 3.49Å; T405-T485 WeakPolarHBondContact CB-O 3.33Å; T405-T485 PolarHBondContact N-O 3.43Å; T405-T485 PolarHBondContact O-N 3.47Å; T405-V504 HydrophobicContact CG2-CB 4.19Å; T405-V504 HydrophobicContact CG2-CG1 4.5Å; T405-V504 HydrophobicContact CG2-CG2 4.5Å
406	I	87.3	Confident	82.5	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	124.7	177.4	-36.2	-176.3	0	0	0	108.2	I397 V399 I449 L454 T482 L484	I397-I406 HydrophobicContact CD1-CG2 4.25Å; I397-I406 HydrophobicContact CG2-CD1 4.04Å; I397-I406 HydrophobicContact CG2-CG2 4.48Å; V399-I406 HydrophobicContact CG2-CD1 3.65Å; I406-I449 HydrophobicContact CB-CB 4.07Å; I406-I449 HydrophobicContact CB-CD1 4.4Å; I406-I449 HydrophobicContact CD1-CG2 4.5Å; I406-I449 HydrophobicContact CG1-CB 4.4Å; I406-I449 PolarHBondContact N-O 3.3Å; I406-I449 PolarHBondContact O-N 3.02Å; I406-L454 HydrophobicContact CD1-CD1 3.93Å; I406-L454 HydrophobicContact CD1-CD2 4.22Å; I406-L454 HydrophobicContact CG1-CD1 4.11Å; I406-T482 HydrophobicContact CG2-CG2 3.56Å; I406-L484 HydrophobicContact CB-CD2 4.28Å; I406-L484 HydrophobicContact CD1-CD2 4.35Å; I406-L484 HydrophobicContact CG1-CD2 3.7Å; I406-L484 HydrophobicContact CG2-CD2 4.3Å
407	L	86.8	Confident	82.9	Confident	5 Å²	5	38.9 Å²	38.9	3%	0.026	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	116.4	169.2	-83.7	85.3	0	0	0	109.1	T405 L448 T482 Y483 T485 V504 S508	T405-L407 HydrophobicContact CG2-CD1 4.33Å; L407-L448 HydrophobicContact CD1-CD1 4.06Å; L407-L448 HydrophobicContact CD1-CG 4.4Å; L407-L448 HydrophobicContact CD2-CD1 3.81Å; L407-L448 HydrophobicContact CG-CD1 3.65Å; L407-L448 HydrophobicContact CG-CG 4.37Å; L407-T482 WeakPolarHBondContact O-CA 3.33Å; L407-Y483 HydrophobicContact CB-CD1 4.23Å; L407-Y483 HydrophobicContact CB-CD2 3.91Å; L407-Y483 HydrophobicContact CB-CE1 3.83Å; L407-Y483 HydrophobicContact CB-CE2 3.51Å; L407-Y483 HydrophobicContact CB-CG 4.28Å; L407-Y483 VanDerWaalsContact CB-CZ 3.46Å; L407-Y483 HydrophobicContact CD1-CE2 4.02Å; L407-Y483 HydrophobicContact CD2-CE2 3.6Å; L407-Y483 WeakPolarHBondContact CD2-OH 3.1Å; L407-Y483 HydrophobicContact CG-CE2 3.87Å; L407-Y483 PolarHBondContact N-O 3.45Å; L407-Y483 PolarHBondContact O-N 2.95Å; L407-Y483 VanDerWaalsContact O-N 3.13Å; L407-T485 HydrophobicContact CD1-CG2 3.43Å; L407-T485 VanDerWaalsContact CD1-CG2 3.43Å; L407-V504 HydrophobicContact CD1-CG1 4.27Å; L407-S508 WeakPolarHBondContact CD2-O 3.5Å
408	F	87.9	Confident	83.3	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.009	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	105.3	177.8	-170.5	-105.4	0	0	0	108.6	I397 V410 V420 W447 I449 V463 V465 I480 T482	I397-F408 HydrophobicContact CD1-CD2 4.32Å; F408-V410 HydrophobicContact CD1-CG2 3.55Å; F408-V410 HydrophobicContact CE1-CG2 3.1Å; F408-V410 HydrophobicContact CG-CG2 4.47Å; F408-V410 HydrophobicContact CZ-CG2 3.7Å; F408-V420 HydrophobicContact CD1-CG1 4.3Å; F408-V420 HydrophobicContact CE1-CG1 4.09Å; F408-W447 HydrophobicContact CB-CB 4.47Å; F408-W447 PolarHBondContact N-O 3.39Å; F408-W447 PolarHBondContact O-N 2.79Å; F408-I449 HydrophobicContact CB-CD1 4.33Å; F408-V463 HydrophobicContact CD1-CG1 3.82Å; F408-V463 HydrophobicContact CD2-CG1 4.23Å; F408-V463 HydrophobicContact CE1-CB 4.44Å; F408-V463 HydrophobicContact CE1-CG1 3.4Å; F408-V463 VanDerWaalsContact CE1-CG1 3.4Å; F408-V463 HydrophobicContact CE2-CB 4.1Å; F408-V463 HydrophobicContact CE2-CG1 3.9Å; F408-V463 HydrophobicContact CG-CG1 4.21Å; F408-V463 HydrophobicContact CZ-CB 4.06Å; F408-V463 HydrophobicContact CZ-CG1 3.47Å; F408-V463 VanDerWaalsContact CZ-CG1 3.47Å; F408-V465 HydrophobicContact CE1-CG2 3.74Å; F408-V465 HydrophobicContact CZ-CG2 3.95Å; F408-I480 HydrophobicContact CD2-CG2 4.32Å; F408-I480 HydrophobicContact CE2-CG2 3.49Å; F408-I480 VanDerWaalsContact CE2-CG2 3.49Å; F408-I480 HydrophobicContact CZ-CG2 3.68Å; F408-T482 HydrophobicContact CD2-CG2 4.46Å; F408-T482 WeakPolarHBondContact CD2-OG1 3.13Å
409	N	86.8	Confident	83.8	Confident	15 Å²	15	36.2 Å²	36.2	8%	0.08	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	131.7	178	-172.5	31.3	0	0	0	109.6	E411 Y445 R446 I480 N481	N409-E411 PolarHBondContact ND2-OE1 2.85Å; N409-Y445 PolarHBondContact OD1-O 3.45Å; N409-R446 HydrophobicContact CB-CG 4.22Å; N409-R446 VanDerWaalsContact OD1-CG 3.25Å; N409-R446 WeakPolarHBondContact OD1-CG 3.37Å; N409-I480 WeakPolarHBondContact O-CA 3.43Å; N409-N481 HydrophobicContact CB-CB 4.34Å; N409-N481 PolarHBondContact N-O 3.25Å; N409-N481 PolarHBondContact O-N 3.49Å
410	V	87.1	Confident	84.4	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	92.9	-178.7	-175.7	0	0	0	0	109.8	F408 P412 L418 Y445 V465 L478 N479 I480	F408-V410 HydrophobicContact CD1-CG2 3.55Å; F408-V410 HydrophobicContact CE1-CG2 3.1Å; F408-V410 HydrophobicContact CG-CG2 4.47Å; F408-V410 HydrophobicContact CZ-CG2 3.7Å; V410-P412 WeakPolarHBondContact O-CD 3.01Å; V410-L418 HydrophobicContact CB-CD1 4.29Å; V410-L418 HydrophobicContact CG1-CD1 3.64Å; V410-Y445 PolarHBondContact N-O 3.44Å; V410-Y445 VanDerWaalsContact N-O 3.08Å; V410-Y445 WeakPolarHBondContact O-CB 3.39Å; V410-V465 HydrophobicContact CG1-CG1 4.47Å; V410-V465 HydrophobicContact CG2-CG2 4.39Å; V410-L478 HydrophobicContact CG1-CB 4.12Å; V410-L478 HydrophobicContact CG1-CD1 3.83Å; V410-L478 HydrophobicContact CG1-CD2 4.09Å; V410-L478 HydrophobicContact CG1-CG 4.25Å; V410-N479 WeakPolarHBondContact CA-O 3.42Å; V410-I480 HydrophobicContact CG1-CG1 4.06Å; V410-I480 HydrophobicContact CG2-CG1 4.19Å; V410-I480 HydrophobicContact CG2-CG2 4.42Å
411	E	86.1	Confident	85.1	Confident	96 Å²	96	33.3 Å²	33.3	45%	0.449	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	112.8	180	-72.9	167.3	-163	0	0	110.4	N409 N479	N409-E411 PolarHBondContact ND2-OE1 2.85Å; E411-N479 HydrophobicContact CB-CB 4.24Å; E411-N479 PolarHBondContact N-O 3.4Å; E411-N479 PolarHBondContact O-N 3.5Å
412	P	87	Confident	85.9	Confident	21 Å²	21	30.8 Å²	30.8	14%	0.136	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	149.5	174.6	33.9	-34.9	0	0	0	111.7	V410 I414 V416 Y445 V476 T477 L478	V410-P412 WeakPolarHBondContact O-CD 3.01Å; P412-I414 WeakPolarHBondContact CB-O 3.35Å; P412-I414 VanDerWaalsContact CG-O 3.3Å; P412-I414 WeakPolarHBondContact CG-O 3.17Å; P412-I414 PolarHBondContact O-N 2.83Å; P412-V416 HydrophobicContact CB-CG2 3.75Å; P412-V416 HydrophobicContact CG-CG2 3.99Å; P412-Y445 HydrophobicContact CG-CD1 4.1Å; P412-Y445 HydrophobicContact CG-CD2 4.24Å; P412-Y445 HydrophobicContact CG-CE1 3.67Å; P412-Y445 HydrophobicContact CG-CE2 3.83Å; P412-Y445 HydrophobicContact CG-CG 4.36Å; P412-V476 HydrophobicContact CB-CG1 4.09Å; P412-T477 CarbonylContact C-O 3.55Å; P412-L478 HydrophobicContact CB-CD2 3.69Å
413	S	84.4	Confident	86.5	Confident	71 Å²	71	29.5 Å²	29.5	50%	0.497	16%	0.16	S	C	.	.	S	Bend	trans	-65.6	-17.3	176.1	61.3	0	0	0	0	114	T477	S413-T477 WeakPolarHBondContact CB-O 3.46Å; S413-T477 PolarHBondContact N-O 3.45Å; S413-T477 PolarHBondContact OG-N 2.91Å; S413-T477 VanDerWaalsContact OG-N 3.08Å
414	I	83.6	Confident	86.8	Confident	67 Å²	67	28 Å²	28	34%	0.344	15%	0.151	S	C	.	.	S	Bend	trans	-139	152.9	177	48.5	162.2	0	0	0	110	P412 V416 F470 V476	P412-I414 WeakPolarHBondContact CB-O 3.35Å; P412-I414 VanDerWaalsContact CG-O 3.3Å; P412-I414 WeakPolarHBondContact CG-O 3.17Å; P412-I414 PolarHBondContact O-N 2.83Å; I414-V416 HydrophobicContact CD1-CG1 3.8Å; I414-V416 HydrophobicContact CG1-CG1 3.87Å; I414-V416 PolarHBondContact O-N 2.97Å; I414-F470 HydrophobicContact CD1-CE2 3.55Å; I414-F470 HydrophobicContact CD1-CZ 3.43Å; I414-F470 VanDerWaalsContact CD1-CZ 3.43Å; I414-V476 HydrophobicContact CD1-CG2 3.58Å; I414-V476 HydrophobicContact CG1-CB 4.42Å; I414-V476 HydrophobicContact CG1-CG1 3.87Å; I414-V476 HydrophobicContact CG1-CG2 3.88Å
415	N	85.2	Confident	86.5	Confident	123 Å²	123	33.8 Å²	33.8	66%	0.658	18%	0.178	S	C	*	.			trans	-67.8	105.6	179.2	-70.7	-3.5	0	0	0	110.8	H441	N415-H441 PolarHBondContact ND2-CD2 2.72Å; N415-H441 PolarHBondContact OD1-CD2 3.32Å
416	V	86.1	Confident	86	Confident	12 Å²	12	35.6 Å²	35.6	7%	0.073	19%	0.191	C	C	.	.			trans	-134	169.6	-179.4	-65.7	0	0	0	0	109.8	P412 I414 L418 Y445 L467 F470 V476	P412-V416 HydrophobicContact CB-CG2 3.75Å; P412-V416 HydrophobicContact CG-CG2 3.99Å; I414-V416 HydrophobicContact CD1-CG1 3.8Å; I414-V416 HydrophobicContact CG1-CG1 3.87Å; I414-V416 PolarHBondContact O-N 2.97Å; V416-L418 HydrophobicContact CG2-CD2 3.85Å; V416-L418 HydrophobicContact CG2-CG 4.2Å; V416-Y445 PolarHBondContact N-OH 3.3Å; V416-Y445 WeakPolarHBondContact O-CE1 3.25Å; V416-Y445 PolarHBondContact O-OH 2.98Å; V416-L467 HydrophobicContact CB-CD2 4.14Å; V416-L467 HydrophobicContact CG1-CD2 4.42Å; V416-L467 HydrophobicContact CG2-CD2 3.84Å; V416-F470 HydrophobicContact CB-CD2 4.45Å; V416-F470 HydrophobicContact CG1-CD2 3.53Å; V416-F470 HydrophobicContact CG1-CE2 3.44Å; V416-F470 VanDerWaalsContact CG1-CE2 3.44Å; V416-F470 HydrophobicContact CG1-CZ 4.44Å; V416-V476 HydrophobicContact CG2-CG1 4.43Å
417	T	88	Confident	85.3	Confident	50 Å²	50	38.6 Å²	38.6	31%	0.307	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	134.3	168.7	48.9	0	0	0	0	109.5	L439 V468	T417-L439 WeakPolarHBondContact CA-O 3.42Å; T417-V468 PolarHBondContact O-N 3.06Å; T417-V468 PolarHBondContact OG1-O 3.46Å
418	L	87.9	Confident	84.6	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	128.3	-176.5	-58.3	174.5	0	0	0	109.5	V410 V416 I438 L439 Y445 V465 R466 L467 L478	V410-L418 HydrophobicContact CB-CD1 4.29Å; V410-L418 HydrophobicContact CG1-CD1 3.64Å; V416-L418 HydrophobicContact CG2-CD2 3.85Å; V416-L418 HydrophobicContact CG2-CG 4.2Å; L418-I438 CarbonylContact O-C 3.49Å; L418-I438 WeakPolarHBondContact O-CA 3.36Å; L418-L439 HydrophobicContact CB-CB 4.27Å; L418-L439 PolarHBondContact N-O 3.33Å; L418-L439 PolarHBondContact O-N 2.67Å; L418-Y445 HydrophobicContact CD1-CD1 4.07Å; L418-Y445 HydrophobicContact CD1-CE1 4.47Å; L418-V465 HydrophobicContact CB-CG1 4.07Å; L418-V465 HydrophobicContact CD1-CG1 4.2Å; L418-V465 HydrophobicContact CD2-CG1 4.17Å; L418-V465 HydrophobicContact CG-CG1 4.39Å; L418-R466 CarbonylContact C-O 3.51Å; L418-R466 WeakPolarHBondContact CA-O 3.38Å; L418-L467 HydrophobicContact CD2-CD2 3.72Å; L418-L467 HydrophobicContact CD2-CG 4.4Å; L418-L478 HydrophobicContact CD1-CD2 4.03Å; L418-L478 HydrophobicContact CD2-CD2 4.22Å
419	A	88.2	Confident	83.7	Confident	11 Å²	11	43.3 Å²	43.3	9%	0.091	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	127.2	167	0	0	0	0	0	109.1	F421 V465 R466 V468	A419-F421 HydrophobicContact CB-CE2 3.71Å; A419-F421 HydrophobicContact CB-CZ 4.01Å; A419-V465 CarbonylContact O-C 3.23Å; A419-V465 WeakPolarHBondContact O-CA 3.42Å; A419-R466 PolarHBondContact N-O 3.48Å; A419-R466 PolarHBondContact O-N 3.13Å; A419-V468 HydrophobicContact CB-CG2 3.44Å; A419-V468 VanDerWaalsContact CB-CG2 3.44Å
420	V	89.8	Confident	82.5	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	132.1	-178.9	-172.5	0	0	0	0	109.9	F408 S436 T437 L439 W447 V463 E464 V465	F408-V420 HydrophobicContact CD1-CG1 4.3Å; F408-V420 HydrophobicContact CE1-CG1 4.09Å; V420-S436 CarbonylContact O-C 3.56Å; V420-S436 WeakPolarHBondContact O-CA 3.18Å; V420-T437 HydrophobicContact CB-CG2 4.12Å; V420-T437 PolarHBondContact N-O 3.02Å; V420-T437 PolarHBondContact O-N 2.95Å; V420-L439 HydrophobicContact CG2-CD1 3.51Å; V420-L439 HydrophobicContact CG2-CG 3.89Å; V420-W447 HydrophobicContact CB-CE3 4.42Å; V420-W447 HydrophobicContact CG1-CE3 3.66Å; V420-W447 HydrophobicContact CG1-CZ3 3.7Å; V420-V463 HydrophobicContact CG1-CG1 3.41Å; V420-V463 VanDerWaalsContact CG1-CG1 3.41Å; V420-E464 CarbonylContact C-O 3.3Å; V420-E464 VanDerWaalsContact CA-O 3.23Å; V420-E464 WeakPolarHBondContact CA-O 3.47Å; V420-V465 HydrophobicContact CG1-CG2 4.32Å; V420-V465 HydrophobicContact CG2-CG1 4.31Å; V420-V465 HydrophobicContact CG2-CG2 4.16Å
421	F	88.6	Confident	81.3	Confident	36 Å²	36	53 Å²	53	16%	0.158	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	140.2	-177.1	-56.9	-91.6	0	0	0	110.6	A419 P428 F433 V463 E464 R466	A419-F421 HydrophobicContact CB-CE2 3.71Å; A419-F421 HydrophobicContact CB-CZ 4.01Å; F421-P428 HydrophobicContact CB-CB 4.08Å; F421-P428 HydrophobicContact CB-CG 3.86Å; F421-F433 HydrophobicContact CB-CB 4.39Å; F421-F433 HydrophobicContact CD1-CB 4.34Å; F421-F433 HydrophobicContact CD1-CD1 4.19Å; F421-F433 HydrophobicContact CD1-CD2 4.17Å; F421-F433 AromaticContact CD1-CG 3.98Å; F421-F433 HydrophobicContact CD1-CG 3.98Å; F421-V463 CarbonylContact O-C 3.53Å; F421-V463 WeakPolarHBondContact O-CA 3.39Å; F421-E464 HydrophobicContact CB-CB 4.36Å; F421-E464 PolarHBondContact N-O 2.78Å; F421-E464 PolarHBondContact O-N 3.42Å; F421-R466 HydrophobicContact CE2-CG 4.36Å
422	L	89.8	Confident	80.4	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135.1	177.7	179.2	72	0	0	0	110.9	H434 N435 W447 I449 M453 L454 W461 Y462 V463	L422-H434 PolarHBondContact O-N 3.01Å; L422-N435 PolarHBondContact N-O 3.11Å; L422-W447 HydrophobicContact CB-CH2 3.45Å; L422-W447 VanDerWaalsContact CB-CH2 3.45Å; L422-W447 HydrophobicContact CB-CZ3 3.81Å; L422-W447 HydrophobicContact CD2-CH2 4.34Å; L422-W447 HydrophobicContact CG-CH2 4.46Å; L422-I449 HydrophobicContact CD1-CD1 4.23Å; L422-I449 HydrophobicContact CD2-CG2 3.61Å; L422-M453 HydrophobicContact CD2-CB 4.49Å; L422-M453 HydrophobicContact CD2-CE 4.33Å; L422-L454 HydrophobicContact CD2-CD2 4.36Å; L422-W461 HydrophobicContact CD1-CB 4.3Å; L422-W461 HydrophobicContact CD1-CD2 4.43Å; L422-W461 HydrophobicContact CD1-CE3 3.65Å; L422-W461 HydrophobicContact CD1-CZ3 4.36Å; L422-W461 HydrophobicContact CD2-CE3 4.03Å; L422-W461 HydrophobicContact CD2-CZ3 3.96Å; L422-W461 HydrophobicContact CG-CE3 3.63Å; L422-W461 HydrophobicContact CG-CZ3 3.83Å; L422-Y462 WeakPolarHBondContact CA-O 3.37Å; L422-V463 HydrophobicContact CD1-CG2 3.78Å
423	S	87.5	Confident	79.8	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	156.7	175.5	57.9	0	0	0	0	112.8	S426 P428 W461 Y462	S423-S426 VanDerWaalsContact CB-O 3.28Å; S423-S426 WeakPolarHBondContact CB-O 3.4Å; S423-S426 PolarHBondContact OG-O 2.68Å; S423-P428 WeakPolarHBondContact OG-CD 3.27Å; S423-P428 VanDerWaalsContact OG-N 3.11Å; S423-W461 CarbonylContact O-C 3.55Å; S423-W461 WeakPolarHBondContact O-CA 3.39Å; S423-Y462 PolarHBondContact N-O 3.41Å; S423-Y462 PolarHBondContact O-N 2.82Å
424	Y	84.5	Confident	79.5	Confident	54 Å²	54	55.1 Å²	55.1	21%	0.212	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	139.5	-179.8	-177.3	-116.6	0	0	0	110.9	S426 S458 W461	Y424-S426 PolarHBondContact O-N 3.33Å; Y424-S458 WeakPolarHBondContact CE2-O 3.45Å; Y424-S458 PolarHBondContact OH-O 2.81Å; Y424-W461 HydrophobicContact CD2-CD2 4.01Å; Y424-W461 AromaticContact CD2-CE2 3.56Å; Y424-W461 HydrophobicContact CD2-CG 4.39Å; Y424-W461 HydrophobicContact CD2-CH2 4.46Å; Y424-W461 AromaticContact CD2-CZ2 3.81Å; Y424-W461 HydrophobicContact CD2-CZ2 3.81Å; Y424-W461 AromaticContact CD2-NE1 3.67Å; Y424-W461 AromaticContact CE2-NE1 3.99Å; Y424-W461 HydrophobicContact CG-CZ2 4.28Å
425	E	77.5	Confident	79.6	Confident	136 Å²	136	54.5 Å²	54.5	64%	0.636	29%	0.292	S	S	*	.	S	Bend	trans	60.2	-24.5	177.4	-74.9	-178.1	167.9	0	0	117.5	A460 Y462	E425-A460 PolarHBondContact N-O 3.44Å; E425-Y462 VanDerWaalsContact C-CE2 3.41Å; E425-Y462 WeakPolarHBondContact O-CE2 3.32Å
426	S	75.2	Confident	79.8	Confident	49 Å²	49	51.6 Å²	51.6	34%	0.343	28%	0.282	S	S	.	.	S	Bend	trans	-138.1	149	179.4	57	0	0	0	0	111.2	S423 Y424	S423-S426 VanDerWaalsContact CB-O 3.28Å; S423-S426 WeakPolarHBondContact CB-O 3.4Å; S423-S426 PolarHBondContact OG-O 2.68Å; Y424-S426 PolarHBondContact O-N 3.33Å
427	P	74.1	Confident	79.8	Confident	63 Å²	63	52.8 Å²	52.8	41%	0.409	29%	0.289	S	S	.	.			trans	-58.9	147.7	173.2	-22.3	32.7	0	0	0	111.7	V394 N429 Y462	V394-P427 HydrophobicContact CG1-CB 4.28Å; P427-N429 PolarHBondContact O-N 3.43Å; P427-Y462 HydrophobicContact CG-CD1 4.15Å; P427-Y462 HydrophobicContact CG-CE1 4.34Å; P427-Y462 HydrophobicContact CG-CG 4.42Å
428	P	72.5	Confident	79.8	Confident	3 Å²	3	55.5 Å²	55.5	2%	0.019	30%	0.301	C	S	.	.			trans	-68.1	137.9	-175.1	23	-24.2	0	0	0	111.1	F421 S423 Y432 F433 E464	F421-P428 HydrophobicContact CB-CB 4.08Å; F421-P428 HydrophobicContact CB-CG 3.86Å; S423-P428 WeakPolarHBondContact OG-CD 3.27Å; S423-P428 VanDerWaalsContact OG-N 3.11Å; P428-Y432 VanDerWaalsContact CA-O 3.31Å; P428-Y432 WeakPolarHBondContact CA-O 3.38Å; P428-F433 HydrophobicContact CB-CB 4.04Å; P428-E464 HydrophobicContact CG-CB 3.31Å; P428-E464 HydrophobicContact CG-CG 4.14Å
429	N	68.1	Low	79.7	Confident	103 Å²	103	55.6 Å²	55.6	55%	0.551	30%	0.301	S	S	*	.	B	Isolated β-bridge	trans	-108.1	165	173.9	-162.7	-0.3	0	0	0	109.2	P427 T431 Y432	P427-N429 PolarHBondContact O-N 3.43Å; N429-T431 PolarHBondContact O-N 3.44Å; N429-Y432 PolarHBondContact N-O 2.94Å; N429-Y432 PolarHBondContact O-N 2.93Å
430	S	62.1	Low	79.6	Confident	93 Å²	93	56.3 Å²	56.3	65%	0.65	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-18.7	-177.2	57.7	0	0	0	0	114.6
431	T	61.2	Low	79.1	Confident	125 Å²	125	61.9 Å²	61.9	77%	0.767	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.6	-6.8	178.3	55.2	0	0	0	0	114.5	N429	N429-T431 PolarHBondContact O-N 3.44Å
432	Y	67.2	Low	78.4	Confident	110 Å²	110	65 Å²	65	43%	0.431	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-132.6	99.5	-174.9	-173.3	-98	0	0	0	110.7	P428 N429 H434	P428-Y432 VanDerWaalsContact CA-O 3.31Å; P428-Y432 WeakPolarHBondContact CA-O 3.38Å; N429-Y432 PolarHBondContact N-O 2.94Å; N429-Y432 PolarHBondContact O-N 2.93Å; Y432-H434 AromaticContact CZ-CE1 3.91Å; Y432-H434 PolarHBondContact OH-CE1 3.07Å
433	F	75.3	Confident	77.4	Confident	84 Å²	84	70 Å²	70	37%	0.368	38%	0.381	S	S	.	.			trans	-146.2	149.3	167.1	58.5	-87.8	0	0	0	107.6	F421 P428	F421-F433 HydrophobicContact CB-CB 4.39Å; F421-F433 HydrophobicContact CD1-CB 4.34Å; F421-F433 HydrophobicContact CD1-CD1 4.19Å; F421-F433 HydrophobicContact CD1-CD2 4.17Å; F421-F433 AromaticContact CD1-CG 3.98Å; F421-F433 HydrophobicContact CD1-CG 3.98Å; P428-F433 HydrophobicContact CB-CB 4.04Å
434	H	77.6	Confident	76.9	Confident	38 Å²	38	74.5 Å²	74.5	18%	0.176	41%	0.405	C	S	.	.	S	Bend	trans	-79.7	-57.3	177.2	-78.3	70.4	0	0	0	109.7	L422 Y432 W461	L422-H434 PolarHBondContact O-N 3.01Å; Y432-H434 AromaticContact CZ-CE1 3.91Å; Y432-H434 PolarHBondContact OH-CE1 3.07Å; H434-W461 HydrophobicContact CB-CZ3 4.49Å
435	N	86.2	Confident	77	Confident	54 Å²	54	72.7 Å²	72.7	29%	0.289	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	154.5	-177.9	-71	21.8	0	0	0	110.2	L422 W447 M453	L422-N435 PolarHBondContact N-O 3.11Å; N435-W447 HydrophobicContact CB-CH2 4.45Å; N435-W447 HydrophobicContact CB-CZ2 4.23Å; N435-M453 HydrophobicContact CB-CE 3.89Å; N435-M453 WeakPolarHBondContact ND2-CB 3.4Å; N435-M453 WeakPolarHBondContact ND2-CE 3.41Å; N435-M453 WeakPolarHBondContact ND2-CG 3.49Å
436	S	87.6	Confident	77.5	Confident	62 Å²	62	69.2 Å²	69.2	43%	0.434	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	148.7	175.8	61.8	0	0	0	0	111.4	V420	V420-S436 CarbonylContact O-C 3.56Å; V420-S436 WeakPolarHBondContact O-CA 3.18Å
437	T	88	Confident	78.1	Confident	37 Å²	37	68 Å²	68	23%	0.227	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	164.1	173.2	-166.6	0	0	0	0	111.5	V420 L439 W447	V420-T437 HydrophobicContact CB-CG2 4.12Å; V420-T437 PolarHBondContact N-O 3.02Å; V420-T437 PolarHBondContact O-N 2.95Å; T437-L439 HydrophobicContact CG2-CD2 3.99Å; T437-L439 HydrophobicContact CG2-CG 4.22Å; T437-W447 HydrophobicContact CG2-CB 4.25Å; T437-W447 HydrophobicContact CG2-CD2 3.66Å; T437-W447 HydrophobicContact CG2-CE3 4.35Å; T437-W447 HydrophobicContact CG2-CG 3.62Å; T437-W447 HydrophobicContact CG2-CZ2 4.2Å
438	I	87.5	Confident	78.8	Confident	108 Å²	108	66.4 Å²	66.4	55%	0.554	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	118.4	173.3	-59.7	173.3	0	0	0	107.8	L418	L418-I438 CarbonylContact O-C 3.49Å; L418-I438 WeakPolarHBondContact O-CA 3.36Å
439	L	86.4	Confident	79.6	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.005	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	135.1	177.8	-61.1	-177.8	0	0	0	110.4	T417 L418 V420 T437 Y445 R446 W447	T417-L439 WeakPolarHBondContact CA-O 3.42Å; L418-L439 HydrophobicContact CB-CB 4.27Å; L418-L439 PolarHBondContact N-O 3.33Å; L418-L439 PolarHBondContact O-N 2.67Å; V420-L439 HydrophobicContact CG2-CD1 3.51Å; V420-L439 HydrophobicContact CG2-CG 3.89Å; T437-L439 HydrophobicContact CG2-CD2 3.99Å; T437-L439 HydrophobicContact CG2-CG 4.22Å; L439-Y445 HydrophobicContact CB-CD1 4.13Å; L439-R446 VanDerWaalsContact CD2-O 3.25Å; L439-R446 WeakPolarHBondContact CD2-O 3.47Å; L439-W447 HydrophobicContact CD2-CB 4.28Å
440	S	84.6	Confident	80.6	Confident	26 Å²	26	63.3 Å²	63.3	18%	0.182	34%	0.34	C	S	.	.			trans	-143.4	170.6	179.4	71	0	0	0	0	110.9	S442 E443 Y445	S440-S442 PolarHBondContact O-N 3.23Å; S440-S442 VanDerWaalsContact O-N 3.16Å; S440-S442 PolarHBondContact OG-OG 2.86Å; S440-S442 VanDerWaalsContact OG-OG 3.05Å; S440-E443 PolarHBondContact O-N 3.4Å; S440-Y445 PolarHBondContact O-N 3.13Å
441	H	78.9	Confident	81.7	Confident	117 Å²	117	60.1 Å²	60.1	54%	0.542	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-58.2	-26.2	178.7	-175.6	-69.7	0	0	0	113.7	N415 E443 Y445	N415-H441 PolarHBondContact ND2-CD2 2.72Å; N415-H441 PolarHBondContact OD1-CD2 3.32Å; H441-E443 VanDerWaalsContact C-N 3.25Å; H441-E443 PolarHBondContact O-N 3.39Å; H441-Y445 HydrophobicContact CB-CE2 4.22Å
442	S	74.6	Confident	82.8	Confident	103 Å²	103	62.3 Å²	62.3	72%	0.72	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-73.9	-16.7	177.8	54.8	0	0	0	0	113.7	S440	S440-S442 PolarHBondContact O-N 3.23Å; S440-S442 VanDerWaalsContact O-N 3.16Å; S440-S442 PolarHBondContact OG-OG 2.86Å; S440-S442 VanDerWaalsContact OG-OG 3.05Å
443	E	68.9	Low	83.7	Confident	104 Å²	104	58.4 Å²	58.4	49%	0.486	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-114.5	19.7	-176.8	-60.6	-171.2	175.5	0	0	112.1	S440 H441 Y445 R446	S440-E443 PolarHBondContact O-N 3.4Å; H441-E443 VanDerWaalsContact C-N 3.25Å; H441-E443 PolarHBondContact O-N 3.39Å; E443-Y445 PolarHBondContact O-N 3.44Å; E443-R446 PolarHBondContact O-N 3Å
444	D	77.5	Confident	84.1	Confident	94 Å²	94	54.4 Å²	54.4	50%	0.503	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	21.2	-179.7	-62.1	-30.8	0	0	0	114.9	R446	D444-R446 VanDerWaalsContact C-N 3.26Å; D444-R446 PolarHBondContact O-N 2.96Å; D444-R446 IonicContact OD2-CZ 3.69Å; D444-R446 IonicContact OD2-NH2 2.63Å; D444-R446 PolarHBondContact OD2-NH2 3.03Å
445	Y	87.1	Confident	84.3	Confident	16 Å²	16	60.5 Å²	60.5	6%	0.063	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	36.9	-175.6	-54.9	-85.7	0	0	0	116.1	N409 V410 P412 V416 L418 L439 S440 H441 E443	N409-Y445 PolarHBondContact OD1-O 3.45Å; V410-Y445 PolarHBondContact N-O 3.44Å; V410-Y445 VanDerWaalsContact N-O 3.08Å; V410-Y445 WeakPolarHBondContact O-CB 3.39Å; P412-Y445 HydrophobicContact CG-CD1 4.1Å; P412-Y445 HydrophobicContact CG-CD2 4.24Å; P412-Y445 HydrophobicContact CG-CE1 3.67Å; P412-Y445 HydrophobicContact CG-CE2 3.83Å; P412-Y445 HydrophobicContact CG-CG 4.36Å; V416-Y445 PolarHBondContact N-OH 3.3Å; V416-Y445 WeakPolarHBondContact O-CE1 3.25Å; V416-Y445 PolarHBondContact O-OH 2.98Å; L418-Y445 HydrophobicContact CD1-CD1 4.07Å; L418-Y445 HydrophobicContact CD1-CE1 4.47Å; L439-Y445 HydrophobicContact CB-CD1 4.13Å; S440-Y445 PolarHBondContact O-N 3.13Å; H441-Y445 HydrophobicContact CB-CE2 4.22Å; E443-Y445 PolarHBondContact O-N 3.44Å
446	R	86.6	Confident	83.8	Confident	63 Å²	63	62.6 Å²	62.6	24%	0.238	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	142	-179.4	-72	179.4	-68	164.1	-5.5	112	N409 L439 E443 D444 E506 S508	N409-R446 HydrophobicContact CB-CG 4.22Å; N409-R446 VanDerWaalsContact OD1-CG 3.25Å; N409-R446 WeakPolarHBondContact OD1-CG 3.37Å; L439-R446 VanDerWaalsContact CD2-O 3.25Å; L439-R446 WeakPolarHBondContact CD2-O 3.47Å; E443-R446 PolarHBondContact O-N 3Å; D444-R446 VanDerWaalsContact C-N 3.26Å; D444-R446 PolarHBondContact O-N 2.96Å; D444-R446 IonicContact OD2-CZ 3.69Å; D444-R446 IonicContact OD2-NH2 2.63Å; D444-R446 PolarHBondContact OD2-NH2 3.03Å; R446-E506 PolarHBondContact NH1-O 2.92Å; R446-S508 PolarHBondContact NH1-O 3.09Å
447	W	89.3	Confident	83.5	Confident	23 Å²	23	62 Å²	62	9%	0.087	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	125.7	171.4	-168.4	30.8	0	0	0	111.8	F408 V420 L422 N435 T437 L439 I449 M453 V463	F408-W447 HydrophobicContact CB-CB 4.47Å; F408-W447 PolarHBondContact N-O 3.39Å; F408-W447 PolarHBondContact O-N 2.79Å; V420-W447 HydrophobicContact CB-CE3 4.42Å; V420-W447 HydrophobicContact CG1-CE3 3.66Å; V420-W447 HydrophobicContact CG1-CZ3 3.7Å; L422-W447 HydrophobicContact CB-CH2 3.45Å; L422-W447 VanDerWaalsContact CB-CH2 3.45Å; L422-W447 HydrophobicContact CB-CZ3 3.81Å; L422-W447 HydrophobicContact CD2-CH2 4.34Å; L422-W447 HydrophobicContact CG-CH2 4.46Å; N435-W447 HydrophobicContact CB-CH2 4.45Å; N435-W447 HydrophobicContact CB-CZ2 4.23Å; T437-W447 HydrophobicContact CG2-CB 4.25Å; T437-W447 HydrophobicContact CG2-CD2 3.66Å; T437-W447 HydrophobicContact CG2-CE3 4.35Å; T437-W447 HydrophobicContact CG2-CG 3.62Å; T437-W447 HydrophobicContact CG2-CZ2 4.2Å; L439-W447 HydrophobicContact CD2-CB 4.28Å; W447-I449 HydrophobicContact CD2-CD1 4.43Å; W447-I449 HydrophobicContact CD2-CG1 3.76Å; W447-I449 HydrophobicContact CE3-CD1 3.75Å; W447-I449 HydrophobicContact CE3-CG1 3.58Å; W447-I449 HydrophobicContact CG-CG1 4.38Å; W447-I449 HydrophobicContact CH2-CG1 4.41Å; W447-I449 HydrophobicContact CZ3-CD1 3.93Å; W447-I449 HydrophobicContact CZ3-CG1 3.91Å; W447-M453 HydrophobicContact CH2-CE 3.93Å; W447-M453 HydrophobicContact CZ2-CE 3.14Å; W447-V463 HydrophobicContact CZ3-CG1 4.34Å
448	L	88.8	Confident	83.1	Confident	30 Å²	30	63.6 Å²	63.6	16%	0.157	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	111	168.9	-116.8	79.5	0	0	0	109.2	T405 L407 V504	T405-L448 HydrophobicContact CG2-CB 4.44Å; T405-L448 HydrophobicContact CG2-CD2 3.89Å; T405-L448 HydrophobicContact CG2-CG 3.72Å; L407-L448 HydrophobicContact CD1-CD1 4.06Å; L407-L448 HydrophobicContact CD1-CG 4.4Å; L407-L448 HydrophobicContact CD2-CD1 3.81Å; L407-L448 HydrophobicContact CG-CD1 3.65Å; L407-L448 HydrophobicContact CG-CG 4.37Å; L448-V504 HydrophobicContact CD2-CB 4.27Å; L448-V504 HydrophobicContact CD2-CG1 4.15Å; L448-V504 WeakPolarHBondContact CD2-O 3.46Å
449	I	88.9	Confident	82.7	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	102.8	172	-56.7	164.4	0	0	0	107.3	T405 I406 F408 L422 W447 M453 L454 V463	T405-I449 WeakPolarHBondContact CA-O 3.35Å; T405-I449 WeakPolarHBondContact CG2-O 3.49Å; I406-I449 HydrophobicContact CB-CB 4.07Å; I406-I449 HydrophobicContact CB-CD1 4.4Å; I406-I449 HydrophobicContact CD1-CG2 4.5Å; I406-I449 HydrophobicContact CG1-CB 4.4Å; I406-I449 PolarHBondContact N-O 3.3Å; I406-I449 PolarHBondContact O-N 3.02Å; F408-I449 HydrophobicContact CB-CD1 4.33Å; L422-I449 HydrophobicContact CD1-CD1 4.23Å; L422-I449 HydrophobicContact CD2-CG2 3.61Å; W447-I449 HydrophobicContact CD2-CD1 4.43Å; W447-I449 HydrophobicContact CD2-CG1 3.76Å; W447-I449 HydrophobicContact CE3-CD1 3.75Å; W447-I449 HydrophobicContact CE3-CG1 3.58Å; W447-I449 HydrophobicContact CG-CG1 4.38Å; W447-I449 HydrophobicContact CH2-CG1 4.41Å; W447-I449 HydrophobicContact CZ3-CD1 3.93Å; W447-I449 HydrophobicContact CZ3-CG1 3.91Å; I449-M453 HydrophobicContact CB-CE 4.43Å; I449-M453 HydrophobicContact CG1-CE 4.39Å; I449-M453 HydrophobicContact CG2-CB 4.25Å; I449-M453 HydrophobicContact CG2-CE 4.21Å; I449-L454 HydrophobicContact CG2-CD1 4.45Å; I449-L454 HydrophobicContact CG2-CD2 3.73Å; I449-L454 HydrophobicContact CG2-CG 3.93Å; I449-V463 HydrophobicContact CD1-CG2 4Å
450	T	88	Confident	82.5	Confident	41 Å²	41	60.5 Å²	60.5	25%	0.252	32%	0.318	S	S	.	.			trans	-81.7	159.5	-176.3	64.8	0	0	0	0	112.1	E452 M453 L454	T450-E452 PolarHBondContact O-N 3.1Å; T450-E452 VanDerWaalsContact O-N 3.16Å; T450-M453 WeakPolarHBondContact O-CB 3.47Å; T450-M453 PolarHBondContact O-N 3.48Å; T450-M453 WeakPolarHBondContact OG1-CG 3.35Å; T450-L454 PolarHBondContact O-N 2.86Å
451	P	85.6	Confident	82.5	Confident	27 Å²	27	59.3 Å²	59.3	18%	0.175	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-35.3	174.3	-31.3	37.9	0	0	0	114.1	T402 E403 M453 L454 R455 N456	T402-P451 WeakPolarHBondContact O-CB 3.47Å; E403-P451 WeakPolarHBondContact O-CG 3.35Å; P451-M453 VanDerWaalsContact C-N 3.31Å; P451-M453 PolarHBondContact O-N 3.43Å; P451-L454 CarbonylContact O-C 3.51Å; P451-L454 WeakPolarHBondContact O-CA 3.34Å; P451-L454 PolarHBondContact O-N 3.19Å; P451-L454 VanDerWaalsContact O-N 3.1Å; P451-R455 PolarHBondContact O-N 3.36Å; P451-N456 PolarHBondContact O-N 3.23Å
452	E	85.4	Confident	82.8	Confident	171 Å²	171	55.8 Å²	55.8	80%	0.799	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-39.2	175.9	-63.5	179	179.7	0	0	112.1	T450 L454 R455	T450-E452 PolarHBondContact O-N 3.1Å; T450-E452 VanDerWaalsContact O-N 3.16Å; E452-L454 VanDerWaalsContact C-N 3.29Å; E452-L454 PolarHBondContact O-N 3.06Å; E452-R455 PolarHBondContact O-N 3.27Å
453	M	85.3	Confident	83.4	Confident	28 Å²	28	50.9 Å²	50.9	14%	0.138	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-30.1	176.3	-56.5	174.7	47.8	0	0	111.8	L422 N435 W447 I449 T450 P451 R455	L422-M453 HydrophobicContact CD2-CB 4.49Å; L422-M453 HydrophobicContact CD2-CE 4.33Å; N435-M453 HydrophobicContact CB-CE 3.89Å; N435-M453 WeakPolarHBondContact ND2-CB 3.4Å; N435-M453 WeakPolarHBondContact ND2-CE 3.41Å; N435-M453 WeakPolarHBondContact ND2-CG 3.49Å; W447-M453 HydrophobicContact CH2-CE 3.93Å; W447-M453 HydrophobicContact CZ2-CE 3.14Å; I449-M453 HydrophobicContact CB-CE 4.43Å; I449-M453 HydrophobicContact CG1-CE 4.39Å; I449-M453 HydrophobicContact CG2-CB 4.25Å; I449-M453 HydrophobicContact CG2-CE 4.21Å; T450-M453 WeakPolarHBondContact O-CB 3.47Å; T450-M453 PolarHBondContact O-N 3.48Å; T450-M453 WeakPolarHBondContact OG1-CG 3.35Å; P451-M453 VanDerWaalsContact C-N 3.31Å; P451-M453 PolarHBondContact O-N 3.43Å; M453-R455 VanDerWaalsContact C-N 3.29Å
454	L	83.5	Confident	84.3	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-2.4	174.5	-58.8	172.8	0	0	0	113	V399 I406 L422 I449 T450 P451 E452 N456 T457 W461	V399-L454 HydrophobicContact CG1-CD1 4.25Å; V399-L454 HydrophobicContact CG2-CD1 4.47Å; I406-L454 HydrophobicContact CD1-CD1 3.93Å; I406-L454 HydrophobicContact CD1-CD2 4.22Å; I406-L454 HydrophobicContact CG1-CD1 4.11Å; L422-L454 HydrophobicContact CD2-CD2 4.36Å; I449-L454 HydrophobicContact CG2-CD1 4.45Å; I449-L454 HydrophobicContact CG2-CD2 3.73Å; I449-L454 HydrophobicContact CG2-CG 3.93Å; T450-L454 PolarHBondContact O-N 2.86Å; P451-L454 CarbonylContact O-C 3.51Å; P451-L454 WeakPolarHBondContact O-CA 3.34Å; P451-L454 PolarHBondContact O-N 3.19Å; P451-L454 VanDerWaalsContact O-N 3.1Å; E452-L454 VanDerWaalsContact C-N 3.29Å; E452-L454 PolarHBondContact O-N 3.06Å; L454-N456 PolarHBondContact O-N 3.01Å; L454-T457 PolarHBondContact O-N 3.2Å; L454-T457 PolarHBondContact O-OG1 3.08Å; L454-W461 HydrophobicContact CB-CZ2 4.03Å; L454-W461 HydrophobicContact CD2-CD2 3.57Å; L454-W461 HydrophobicContact CD2-CE3 4Å; L454-W461 HydrophobicContact CD2-CG 3.95Å; L454-W461 HydrophobicContact CD2-CH2 4.26Å; L454-W461 HydrophobicContact CD2-CZ2 3.88Å; L454-W461 HydrophobicContact CD2-CZ3 4.32Å; L454-W461 VanDerWaalsContact O-CZ2 3.26Å; L454-W461 WeakPolarHBondContact O-CZ2 3.48Å
455	R	82.2	Confident	84.8	Confident	166 Å²	166	41.5 Å²	41.5	63%	0.626	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.3	29.3	-179.2	-59	-177.9	177.5	175.8	1.4	114.1	P451 E452 M453 T457	P451-R455 PolarHBondContact O-N 3.36Å; E452-R455 PolarHBondContact O-N 3.27Å; M453-R455 VanDerWaalsContact C-N 3.29Å; R455-T457 PolarHBondContact O-N 3.49Å
456	N	76.1	Confident	84.7	Confident	98 Å²	98	44.7 Å²	44.7	52%	0.524	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	27.8	-172.3	-70.9	3.4	0	0	0	115.3	T402 P451 L454	T402-N456 WeakPolarHBondContact CG2-O 3.41Å; T402-N456 PolarHBondContact OG1-O 2.9Å; P451-N456 PolarHBondContact O-N 3.23Å; L454-N456 PolarHBondContact O-N 3.01Å
457	T	79.5	Confident	84.7	Confident	50 Å²	50	43 Å²	43	31%	0.307	22%	0.219	S	C	.	.			trans	-101.4	129.3	178.9	57.3	0	0	0	0	112.6	L454 R455 W461	L454-T457 PolarHBondContact O-N 3.2Å; L454-T457 PolarHBondContact O-OG1 3.08Å; R455-T457 PolarHBondContact O-N 3.49Å; T457-W461 PolarHBondContact O-NE1 3.45Å; T457-W461 WeakPolarHBondContact OG1-CZ2 3.33Å
458	S	80.4	Confident	84.2	Confident	69 Å²	69	44 Å²	44	48%	0.483	23%	0.227	S	C	.	.			trans	-84.3	156.5	175.1	56.2	0	0	0	0	111.1	V399 Y424	V399-S458 CarbonylContact O-C 3.49Å; V399-S458 VanDerWaalsContact O-CA 3.29Å; V399-S458 WeakPolarHBondContact O-CA 3.33Å; V399-S458 WeakPolarHBondContact O-CB 3.49Å; Y424-S458 WeakPolarHBondContact CE2-O 3.45Å; Y424-S458 PolarHBondContact OH-O 2.81Å
459	G	79.9	Confident	83.3	Confident	21 Å²	21	49.8 Å²	49.8	22%	0.216	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	125	-162.4	178.8	0	0	0	0	0	113.7	N398 V399 W461	N398-G459 PolarHBondContact OD1-O 2.95Å; V399-G459 PolarHBondContact N-O 3.29Å; V399-G459 PolarHBondContact O-N 3.17Å; G459-W461 PolarHBondContact O-N 3.35Å
460	A	81.2	Confident	82.2	Confident	23 Å²	23	51.3 Å²	51.3	19%	0.19	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	114.8	-174.1	0	0	0	0	0	111.8	Q396 E425 Y462	Q396-A460 HydrophobicContact CG-CB 4.4Å; E425-A460 PolarHBondContact N-O 3.44Å; A460-Y462 HydrophobicContact CB-CE2 4.21Å
461	W	85.4	Confident	80.9	Confident	1 Å²	1	55 Å²	55	0%	0.004	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	144.9	171	-74	86.4	0	0	0	110.1	Q396 I397 V399 L422 S423 Y424 H434 L454 T457 G459	Q396-W461 CarbonylContact C-O 3.57Å; Q396-W461 WeakPolarHBondContact CA-O 3.37Å; I397-W461 PolarHBondContact N-O 2.89Å; I397-W461 PolarHBondContact O-N 2.87Å; V399-W461 HydrophobicContact CG2-CB 4.47Å; V399-W461 VanDerWaalsContact CG2-CD1 3.47Å; V399-W461 HydrophobicContact CG2-CG 4.16Å; L422-W461 HydrophobicContact CD1-CB 4.3Å; L422-W461 HydrophobicContact CD1-CD2 4.43Å; L422-W461 HydrophobicContact CD1-CE3 3.65Å; L422-W461 HydrophobicContact CD1-CZ3 4.36Å; L422-W461 HydrophobicContact CD2-CE3 4.03Å; L422-W461 HydrophobicContact CD2-CZ3 3.96Å; L422-W461 HydrophobicContact CG-CE3 3.63Å; L422-W461 HydrophobicContact CG-CZ3 3.83Å; S423-W461 CarbonylContact O-C 3.55Å; S423-W461 WeakPolarHBondContact O-CA 3.39Å; Y424-W461 HydrophobicContact CD2-CD2 4.01Å; Y424-W461 AromaticContact CD2-CE2 3.56Å; Y424-W461 HydrophobicContact CD2-CG 4.39Å; Y424-W461 HydrophobicContact CD2-CH2 4.46Å; Y424-W461 AromaticContact CD2-CZ2 3.81Å; Y424-W461 HydrophobicContact CD2-CZ2 3.81Å; Y424-W461 AromaticContact CD2-NE1 3.67Å; Y424-W461 AromaticContact CE2-NE1 3.99Å; Y424-W461 HydrophobicContact CG-CZ2 4.28Å; H434-W461 HydrophobicContact CB-CZ3 4.49Å; L454-W461 HydrophobicContact CB-CZ2 4.03Å; L454-W461 HydrophobicContact CD2-CD2 3.57Å; L454-W461 HydrophobicContact CD2-CE3 4Å; L454-W461 HydrophobicContact CD2-CG 3.95Å; L454-W461 HydrophobicContact CD2-CH2 4.26Å; L454-W461 HydrophobicContact CD2-CZ2 3.88Å; L454-W461 HydrophobicContact CD2-CZ3 4.32Å; L454-W461 VanDerWaalsContact O-CZ2 3.26Å; L454-W461 WeakPolarHBondContact O-CZ2 3.48Å; T457-W461 PolarHBondContact O-NE1 3.45Å; T457-W461 WeakPolarHBondContact OG1-CZ2 3.33Å; G459-W461 PolarHBondContact O-N 3.35Å
462	Y	85.6	Confident	79.6	Confident	44 Å²	44	58.6 Å²	58.6	17%	0.173	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128.8	179.3	-64.3	-92	0	0	0	109.5	V394 S395 Q396 L422 S423 E425 P427 A460	V394-Y462 HydrophobicContact CG1-CD1 3.89Å; S395-Y462 WeakPolarHBondContact O-CA 3.47Å; Q396-Y462 HydrophobicContact CB-CD1 4.07Å; Q396-Y462 HydrophobicContact CB-CE1 3.91Å; Q396-Y462 HydrophobicContact CG-CD1 4.23Å; Q396-Y462 HydrophobicContact CG-CE1 3.8Å; L422-Y462 WeakPolarHBondContact CA-O 3.37Å; S423-Y462 PolarHBondContact N-O 3.41Å; S423-Y462 PolarHBondContact O-N 2.82Å; E425-Y462 VanDerWaalsContact C-CE2 3.41Å; E425-Y462 WeakPolarHBondContact O-CE2 3.32Å; P427-Y462 HydrophobicContact CG-CD1 4.15Å; P427-Y462 HydrophobicContact CG-CE1 4.34Å; P427-Y462 HydrophobicContact CG-CG 4.42Å; A460-Y462 HydrophobicContact CB-CE2 4.21Å
463	V	87.3	Confident	78.5	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	115.9	174.4	-176	0	0	0	0	108.6	V394 S395 I397 F408 V420 F421 L422 W447 I449	V394-V463 CarbonylContact C-O 3.44Å; V394-V463 WeakPolarHBondContact CA-O 3.48Å; S395-V463 PolarHBondContact N-O 3.07Å; S395-V463 PolarHBondContact O-N 3.39Å; I397-V463 HydrophobicContact CD1-CB 4.45Å; I397-V463 HydrophobicContact CD1-CG2 3.5Å; I397-V463 VanDerWaalsContact CD1-CG2 3.5Å; I397-V463 HydrophobicContact CG1-CG2 4.4Å; F408-V463 HydrophobicContact CD1-CG1 3.82Å; F408-V463 HydrophobicContact CD2-CG1 4.23Å; F408-V463 HydrophobicContact CE1-CB 4.44Å; F408-V463 HydrophobicContact CE1-CG1 3.4Å; F408-V463 VanDerWaalsContact CE1-CG1 3.4Å; F408-V463 HydrophobicContact CE2-CB 4.1Å; F408-V463 HydrophobicContact CE2-CG1 3.9Å; F408-V463 HydrophobicContact CG-CG1 4.21Å; F408-V463 HydrophobicContact CZ-CB 4.06Å; F408-V463 HydrophobicContact CZ-CG1 3.47Å; F408-V463 VanDerWaalsContact CZ-CG1 3.47Å; V420-V463 HydrophobicContact CG1-CG1 3.41Å; V420-V463 VanDerWaalsContact CG1-CG1 3.41Å; F421-V463 CarbonylContact O-C 3.53Å; F421-V463 WeakPolarHBondContact O-CA 3.39Å; L422-V463 HydrophobicContact CD1-CG2 3.78Å; W447-V463 HydrophobicContact CZ3-CG1 4.34Å; I449-V463 HydrophobicContact CD1-CG2 4Å
464	E	86.4	Confident	77.7	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	131.8	179.6	-177.2	174	129.7	0	0	111.1	K392 S393 V394 V420 F421 P428 R466	K392-E464 HydrophobicContact CB-CG 4.21Å; K392-E464 HydrophobicContact CD-CG 4.06Å; K392-E464 VanDerWaalsContact CD-OE1 3.29Å; K392-E464 WeakPolarHBondContact CD-OE1 3.45Å; K392-E464 WeakPolarHBondContact CD-OE2 3.28Å; K392-E464 IonicContact NZ-OE1 2.71Å; K392-E464 IonicContact NZ-OE2 3.73Å; K392-E464 PolarHBondContact NZ-OE2 3.46Å; S393-E464 CarbonylContact O-C 3.47Å; S393-E464 WeakPolarHBondContact O-CA 3.18Å; V394-E464 HydrophobicContact CG2-CB 4.21Å; V394-E464 HydrophobicContact CG2-CG 3.96Å; V420-E464 CarbonylContact C-O 3.3Å; V420-E464 VanDerWaalsContact CA-O 3.23Å; V420-E464 WeakPolarHBondContact CA-O 3.47Å; F421-E464 HydrophobicContact CB-CB 4.36Å; F421-E464 PolarHBondContact N-O 2.78Å; F421-E464 PolarHBondContact O-N 3.42Å; P428-E464 HydrophobicContact CG-CB 3.31Å; P428-E464 HydrophobicContact CG-CG 4.14Å; E464-R466 IonicContact OE1-CZ 3.04Å; E464-R466 IonicContact OE1-NE 2.65Å; E464-R466 PolarHBondContact OE1-NE 2.88Å; E464-R466 IonicContact OE1-NH2 2.64Å; E464-R466 PolarHBondContact OE1-NH2 3.36Å
465	V	87.4	Confident	77.4	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	131.1	178.9	-173.7	0	0	0	0	109.9	S393 F408 V410 L418 A419 V420 L478	S393-V465 PolarHBondContact N-O 2.96Å; S393-V465 PolarHBondContact O-N 3.41Å; F408-V465 HydrophobicContact CE1-CG2 3.74Å; F408-V465 HydrophobicContact CZ-CG2 3.95Å; V410-V465 HydrophobicContact CG1-CG1 4.47Å; V410-V465 HydrophobicContact CG2-CG2 4.39Å; L418-V465 HydrophobicContact CB-CG1 4.07Å; L418-V465 HydrophobicContact CD1-CG1 4.2Å; L418-V465 HydrophobicContact CD2-CG1 4.17Å; L418-V465 HydrophobicContact CG-CG1 4.39Å; A419-V465 CarbonylContact O-C 3.23Å; A419-V465 WeakPolarHBondContact O-CA 3.42Å; V420-V465 HydrophobicContact CG1-CG2 4.32Å; V420-V465 HydrophobicContact CG2-CG1 4.31Å; V420-V465 HydrophobicContact CG2-CG2 4.16Å; V465-L478 HydrophobicContact CB-CD1 4.4Å; V465-L478 HydrophobicContact CG1-CD1 3.84Å
466	R	86.2	Confident	77.4	Confident	84 Å²	84	60.3 Å²	60.3	32%	0.317	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	148.8	177	-59	-173.4	-170.4	172.7	6	111.4	K392 L418 A419 F421 E464	K392-R466 HydrophobicContact CB-CG 4.21Å; L418-R466 CarbonylContact C-O 3.51Å; L418-R466 WeakPolarHBondContact CA-O 3.38Å; A419-R466 PolarHBondContact N-O 3.48Å; A419-R466 PolarHBondContact O-N 3.13Å; F421-R466 HydrophobicContact CE2-CG 4.36Å; E464-R466 IonicContact OE1-CZ 3.04Å; E464-R466 IonicContact OE1-NE 2.65Å; E464-R466 PolarHBondContact OE1-NE 2.88Å; E464-R466 IonicContact OE1-NH2 2.64Å; E464-R466 PolarHBondContact OE1-NH2 3.36Å
467	L	85.5	Confident	77.7	Confident	27 Å²	27	58.4 Å²	58.4	14%	0.141	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	136.4	170.8	-69.8	159.9	0	0	0	110.4	L387 V416 L418 F470 V476	L387-L467 HydrophobicContact CB-CD1 3.96Å; L387-L467 HydrophobicContact CD1-CG 4.36Å; V416-L467 HydrophobicContact CB-CD2 4.14Å; V416-L467 HydrophobicContact CG1-CD2 4.42Å; V416-L467 HydrophobicContact CG2-CD2 3.84Å; L418-L467 HydrophobicContact CD2-CD2 3.72Å; L418-L467 HydrophobicContact CD2-CG 4.4Å; L467-F470 HydrophobicContact CB-CB 4.25Å; L467-V476 HydrophobicContact CD1-CG2 4.44Å; L467-V476 HydrophobicContact CD2-CG2 4.37Å
468	V	79.9	Confident	77.9	Confident	43 Å²	43	56 Å²	56	26%	0.261	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.2	175.8	-177.9	0	0	0	0	109.2	T417 A419 F470	T417-V468 PolarHBondContact O-N 3.06Å; T417-V468 PolarHBondContact OG1-O 3.46Å; A419-V468 HydrophobicContact CB-CG2 3.44Å; A419-V468 VanDerWaalsContact CB-CG2 3.44Å; V468-F470 VanDerWaalsContact C-N 3.25Å; V468-F470 PolarHBondContact O-N 3.05Å; V468-F470 VanDerWaalsContact O-N 3.16Å
469	N	69.4	Low	78.1	Confident	153 Å²	153	54.8 Å²	54.8	82%	0.818	29%	0.289	S	S	*	.	S	Bend	trans	54.9	31	175.5	-64.6	-15.8	0	0	0	115.6
470	F	65.5	Low	78.2	Confident	32 Å²	32	53.8 Å²	53.8	14%	0.14	28%	0.279	C	S	.	.			trans	-92	121.6	179.6	-161.5	-107.7	0	0	0	111.9	I414 V416 L467 V468 L472 T474 V476	I414-F470 HydrophobicContact CD1-CE2 3.55Å; I414-F470 HydrophobicContact CD1-CZ 3.43Å; I414-F470 VanDerWaalsContact CD1-CZ 3.43Å; V416-F470 HydrophobicContact CB-CD2 4.45Å; V416-F470 HydrophobicContact CG1-CD2 3.53Å; V416-F470 HydrophobicContact CG1-CE2 3.44Å; V416-F470 VanDerWaalsContact CG1-CE2 3.44Å; V416-F470 HydrophobicContact CG1-CZ 4.44Å; L467-F470 HydrophobicContact CB-CB 4.25Å; V468-F470 VanDerWaalsContact C-N 3.25Å; V468-F470 PolarHBondContact O-N 3.05Å; V468-F470 VanDerWaalsContact O-N 3.16Å; F470-L472 WeakPolarHBondContact CD1-O 3.37Å; F470-L472 HydrophobicContact CE1-CB 3.85Å; F470-L472 WeakPolarHBondContact CE1-O 3.39Å; F470-L472 HydrophobicContact CZ-CB 3.82Å; F470-T474 WeakPolarHBondContact CZ-OG1 3.45Å; F470-V476 HydrophobicContact CE1-CG2 4.06Å; F470-V476 HydrophobicContact CZ-CG2 3.96Å
471	T	60.2	Low	78.2	Confident	119 Å²	119	53.2 Å²	53.2	73%	0.73	27%	0.273	S	S	*	.			trans	-109.2	-10.5	-172.6	50.2	0	0	0	0	114.6
472	L	59.8	Low	77.8	Confident	101 Å²	101	55.1 Å²	55.1	53%	0.529	28%	0.284	S	S	.	.	S	Bend	trans	-85.1	145.7	177	-86.4	102.6	0	0	0	112.5	F470 T474	F470-L472 WeakPolarHBondContact CD1-O 3.37Å; F470-L472 HydrophobicContact CE1-CB 3.85Å; F470-L472 WeakPolarHBondContact CE1-O 3.39Å; F470-L472 HydrophobicContact CZ-CB 3.82Å; L472-T474 HydrophobicContact CB-CG2 4.29Å; L472-T474 WeakPolarHBondContact CB-OG1 3.41Å; L472-T474 HydrophobicContact CD2-CG2 3.84Å; L472-T474 PolarHBondContact O-N 2.87Å
473	E	62.5	Low	77.5	Confident	199 Å²	199	53.2 Å²	53.2	93%	0.93	28%	0.277	S	S	*	.			trans	-76.8	18.1	171.2	-68.8	-175.7	162.1	0	0	113.4
474	T	67.3	Low	77.1	Confident	63 Å²	63	53.7 Å²	53.7	39%	0.387	28%	0.279	S	S	.	.			trans	-89.8	137.3	-176	53.5	0	0	0	0	111.7	F470 L472	F470-T474 WeakPolarHBondContact CZ-OG1 3.45Å; L472-T474 HydrophobicContact CB-CG2 4.29Å; L472-T474 WeakPolarHBondContact CB-OG1 3.41Å; L472-T474 HydrophobicContact CD2-CG2 3.84Å; L472-T474 PolarHBondContact O-N 2.87Å
475	E	78.1	Confident	77	Confident	139 Å²	139	53.7 Å²	53.7	65%	0.65	28%	0.279	S	S	*	.			trans	-65.4	133.2	172.3	-65.5	-179.8	174.9	0	0	111.1	V386 T388	V386-E475 HydrophobicContact CG1-CB 3.82Å; V386-E475 HydrophobicContact CG1-CG 4.23Å; T388-E475 HydrophobicContact CG2-CG 4.13Å
476	V	81.3	Confident	76.8	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	118.2	177.3	-175.2	0	0	0	0	108.9	L387 P412 I414 V416 L467 F470 L478	L387-V476 PolarHBondContact N-O 3.41Å; L387-V476 PolarHBondContact O-N 3.02Å; P412-V476 HydrophobicContact CB-CG1 4.09Å; I414-V476 HydrophobicContact CD1-CG2 3.58Å; I414-V476 HydrophobicContact CG1-CB 4.42Å; I414-V476 HydrophobicContact CG1-CG1 3.87Å; I414-V476 HydrophobicContact CG1-CG2 3.88Å; V416-V476 HydrophobicContact CG2-CG1 4.43Å; L467-V476 HydrophobicContact CD1-CG2 4.44Å; L467-V476 HydrophobicContact CD2-CG2 4.37Å; F470-V476 HydrophobicContact CE1-CG2 4.06Å; F470-V476 HydrophobicContact CZ-CG2 3.96Å; V476-L478 HydrophobicContact CG1-CD2 4.16Å
477	T	83	Confident	76.8	Confident	58 Å²	58	51.9 Å²	51.9	36%	0.356	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	123.4	174.7	-52.2	0	0	0	0	108.9	V386 P412 S413	V386-T477 HydrophobicContact CG2-CG2 4.44Å; P412-T477 CarbonylContact C-O 3.55Å; S413-T477 WeakPolarHBondContact CB-O 3.46Å; S413-T477 PolarHBondContact N-O 3.45Å; S413-T477 PolarHBondContact OG-N 2.91Å; S413-T477 VanDerWaalsContact OG-N 3.08Å
478	L	83.5	Confident	76.8	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	130.6	171.7	-59.6	-171.5	0	0	0	110	T384 V385 L387 V410 P412 L418 V465 V476 I480	T384-L478 CarbonylContact C-O 3.59Å; T384-L478 VanDerWaalsContact CA-O 3.31Å; T384-L478 WeakPolarHBondContact CA-O 3.03Å; V385-L478 PolarHBondContact N-O 3.41Å; V385-L478 PolarHBondContact O-N 3.32Å; L387-L478 HydrophobicContact CD1-CD1 3.24Å; L387-L478 HydrophobicContact CD1-CG 3.91Å; L387-L478 HydrophobicContact CG-CD1 3.9Å; L387-L478 HydrophobicContact CG-CG 4.22Å; V410-L478 HydrophobicContact CG1-CB 4.12Å; V410-L478 HydrophobicContact CG1-CD1 3.83Å; V410-L478 HydrophobicContact CG1-CD2 4.09Å; V410-L478 HydrophobicContact CG1-CG 4.25Å; P412-L478 HydrophobicContact CB-CD2 3.69Å; L418-L478 HydrophobicContact CD1-CD2 4.03Å; L418-L478 HydrophobicContact CD2-CD2 4.22Å; V465-L478 HydrophobicContact CB-CD1 4.4Å; V465-L478 HydrophobicContact CG1-CD1 3.84Å; V476-L478 HydrophobicContact CG1-CD2 4.16Å; L478-I480 HydrophobicContact CB-CG1 4.21Å
479	N	83.9	Confident	77.1	Confident	43 Å²	43	49.6 Å²	49.6	23%	0.23	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	105	168.6	-172.6	34.8	0	0	0	108.8	S382 V410 E411	S382-N479 VanDerWaalsContact CB-OD1 3.3Å; S382-N479 WeakPolarHBondContact CB-OD1 3.46Å; V410-N479 WeakPolarHBondContact CA-O 3.42Å; E411-N479 HydrophobicContact CB-CB 4.24Å; E411-N479 PolarHBondContact N-O 3.4Å; E411-N479 PolarHBondContact O-N 3.5Å
480	I	83.6	Confident	77.8	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	119.7	-174.9	-57.3	172	0	0	0	109	S383 V385 F408 N409 V410 L478	S383-I480 PolarHBondContact N-O 2.79Å; S383-I480 PolarHBondContact O-N 3.4Å; S383-I480 PolarHBondContact OG-O 3.07Å; V385-I480 HydrophobicContact CB-CD1 4.45Å; V385-I480 HydrophobicContact CG2-CD1 4.08Å; F408-I480 HydrophobicContact CD2-CG2 4.32Å; F408-I480 HydrophobicContact CE2-CG2 3.49Å; F408-I480 VanDerWaalsContact CE2-CG2 3.49Å; F408-I480 HydrophobicContact CZ-CG2 3.68Å; N409-I480 WeakPolarHBondContact O-CA 3.43Å; V410-I480 HydrophobicContact CG1-CG1 4.06Å; V410-I480 HydrophobicContact CG2-CG1 4.19Å; V410-I480 HydrophobicContact CG2-CG2 4.42Å; L478-I480 HydrophobicContact CB-CG1 4.21Å
481	N	80.4	Confident	78.4	Confident	11 Å²	11	43.6 Å²	43.6	6%	0.059	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	132.8	175.8	-58	-19.5	0	0	0	109	L380 S382 N409	L380-N481 HydrophobicContact CD2-CB 3.77Å; L380-N481 WeakPolarHBondContact CD2-ND2 3.2Å; L380-N481 HydrophobicContact CG-CB 4.22Å; S382-N481 WeakPolarHBondContact CA-OD1 3.44Å; S382-N481 WeakPolarHBondContact CB-OD1 3.01Å; N409-N481 HydrophobicContact CB-CB 4.34Å; N409-N481 PolarHBondContact N-O 3.25Å; N409-N481 PolarHBondContact O-N 3.49Å
482	T	77.9	Confident	79.1	Confident	40 Å²	40	44.2 Å²	44.2	25%	0.245	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	132	179	-53.7	0	0	0	0	110	I397 I406 L407 F408	I397-T482 HydrophobicContact CD1-CG2 3.94Å; I397-T482 HydrophobicContact CG1-CG2 4.45Å; I406-T482 HydrophobicContact CG2-CG2 3.56Å; L407-T482 WeakPolarHBondContact O-CA 3.33Å; F408-T482 HydrophobicContact CD2-CG2 4.46Å; F408-T482 WeakPolarHBondContact CD2-OG1 3.13Å
483	Y	78.5	Confident	79.9	Confident	5 Å²	5	47 Å²	47	2%	0.02	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	154.4	175.1	57.4	-87.4	0	0	0	111.1	L380 L407 S508 T509 P510 F527	L380-Y483 HydrophobicContact CD1-CD1 4.16Å; L407-Y483 HydrophobicContact CB-CD1 4.23Å; L407-Y483 HydrophobicContact CB-CD2 3.91Å; L407-Y483 HydrophobicContact CB-CE1 3.83Å; L407-Y483 HydrophobicContact CB-CE2 3.51Å; L407-Y483 HydrophobicContact CB-CG 4.28Å; L407-Y483 VanDerWaalsContact CB-CZ 3.46Å; L407-Y483 HydrophobicContact CD1-CE2 4.02Å; L407-Y483 HydrophobicContact CD2-CE2 3.6Å; L407-Y483 WeakPolarHBondContact CD2-OH 3.1Å; L407-Y483 HydrophobicContact CG-CE2 3.87Å; L407-Y483 PolarHBondContact N-O 3.45Å; L407-Y483 PolarHBondContact O-N 2.95Å; L407-Y483 VanDerWaalsContact O-N 3.13Å; Y483-S508 PolarHBondContact OH-O 3.29Å; Y483-T509 VanDerWaalsContact OH-CA 3.28Å; Y483-T509 WeakPolarHBondContact OH-CA 3.4Å; Y483-P510 HydrophobicContact CD1-CG 4.44Å; Y483-P510 HydrophobicContact CE1-CG 3.81Å; Y483-F527 HydrophobicContact CD2-CD2 4.11Å; Y483-F527 AromaticContact CD2-CE2 3.54Å; Y483-F527 HydrophobicContact CD2-CE2 3.54Å; Y483-F527 HydrophobicContact CE2-CE2 4.4Å; Y483-F527 AromaticContact CG-CE2 3.74Å; Y483-F527 HydrophobicContact CG-CE2 3.74Å; Y483-F527 HydrophobicContact CG-CZ 4.46Å
484	L	79.1	Confident	80.5	Confident	9 Å²	9	41.9 Å²	41.9	5%	0.047	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	137.6	-177.7	-69.7	147.4	0	0	0	109.3	M404 I406 F527 F528	M404-L484 HydrophobicContact CB-CD2 4.12Å; M404-L484 HydrophobicContact CE-CB 3.85Å; M404-L484 HydrophobicContact CE-CD1 4.31Å; M404-L484 HydrophobicContact CE-CG 4.45Å; M404-L484 HydrophobicContact SD-CB 4.17Å; I406-L484 HydrophobicContact CB-CD2 4.28Å; I406-L484 HydrophobicContact CD1-CD2 4.35Å; I406-L484 HydrophobicContact CG1-CD2 3.7Å; I406-L484 HydrophobicContact CG2-CD2 4.3Å; L484-F527 WeakPolarHBondContact O-CA 3.34Å; L484-F528 HydrophobicContact CB-CB 4.34Å; L484-F528 HydrophobicContact CD1-CD1 3.87Å; L484-F528 PolarHBondContact N-O 2.88Å; L484-F528 PolarHBondContact O-N 3.19Å
485	T	82.9	Confident	80.9	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	153.1	175	-157.5	0	0	0	0	113.9	R374 T405 L407 V504 S526	R374-T485 PolarHBondContact NH1-OG1 2.8Å; R374-T485 PolarHBondContact NH2-OG1 3.19Å; T405-T485 WeakPolarHBondContact CB-O 3.33Å; T405-T485 PolarHBondContact N-O 3.43Å; T405-T485 PolarHBondContact O-N 3.47Å; L407-T485 HydrophobicContact CD1-CG2 3.43Å; L407-T485 VanDerWaalsContact CD1-CG2 3.43Å; T485-V504 HydrophobicContact CG2-CB 4.38Å; T485-V504 HydrophobicContact CG2-CG1 3.62Å; T485-V504 HydrophobicContact CG2-CG2 3.85Å; T485-S526 VanDerWaalsContact CA-O 3.27Å; T485-S526 WeakPolarHBondContact CA-O 3.36Å; T485-S526 PolarHBondContact OG1-O 3.28Å
486	R	83.8	Confident	81	Confident	43 Å²	43	41.6 Å²	41.6	16%	0.162	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	142.2	176.3	-171.1	166.7	63.2	158.1	-0.5	110.3	E403 M404 L488 S525 S526	E403-R486 WeakPolarHBondContact O-CD 3.41Å; E403-R486 IonicContact OE2-NH1 3.16Å; E403-R486 PolarHBondContact OE2-NH1 3.2Å; M404-R486 HydrophobicContact CG-CB 4.35Å; M404-R486 HydrophobicContact SD-CB 4.49Å; R486-L488 HydrophobicContact CG-CD2 4.14Å; R486-L488 HydrophobicContact CG-CG 4.21Å; R486-S525 WeakPolarHBondContact O-CA 3.36Å; R486-S526 PolarHBondContact N-O 2.94Å; R486-S526 PolarHBondContact O-N 2.96Å
487	C	87.4	Confident	80.9	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.02	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	125.3	172.3	-68.6	0	0	0	0	108.9	C502 V504 C515	C487-C502 HydrophobicContact CB-CB 4.38Å; C487-V504 HydrophobicContact CB-CG2 4.47Å; C487-C515 HydrophobicContact CB-CB 3.68Å; C487-C515 WeakPolarHBondContact CB-SG 3.45Å; C487-C515 WeakPolarHBondContact SG-CA 3.46Å; C487-C515 WeakPolarHBondContact SG-CB 3.07Å; C487-C515 CovalentContact SG-SG 2.03Å; C487-C515 PolarHBondContact SG-SG 3.1Å
488	L	85.6	Confident	80.9	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	153.8	-176.2	-66.9	169.7	0	0	0	109.7	R486 W497 S498 D499 F523 G524	R486-L488 HydrophobicContact CG-CD2 4.14Å; R486-L488 HydrophobicContact CG-CG 4.21Å; L488-W497 HydrophobicContact CB-CB 4.45Å; L488-W497 HydrophobicContact CB-CE3 3.84Å; L488-W497 HydrophobicContact CD1-CB 4.31Å; L488-S498 CarbonylContact C-O 3.6Å; L488-S498 WeakPolarHBondContact CA-O 3.38Å; L488-D499 HydrophobicContact CD2-CB 4.05Å; L488-F523 WeakPolarHBondContact O-CA 3.46Å; L488-G524 PolarHBondContact N-O 3.46Å; L488-G524 PolarHBondContact O-N 3.39Å
489	Y	85.8	Confident	80.8	Confident	22 Å²	22	43.1 Å²	43.1	9%	0.086	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	152.2	168.1	77.3	-80.5	0	0	0	110.3	H491 W497 S498 K500 H519 T521 L522	Y489-H491 HydrophobicContact CE2-CB 4.09Å; Y489-H491 AromaticContact CE2-CD2 3.86Å; Y489-H491 PolarHBondContact O-N 3.47Å; Y489-W497 VanDerWaalsContact C-CE3 3.41Å; Y489-W497 CarbonylContact O-C 3.55Å; Y489-W497 WeakPolarHBondContact O-CA 3.47Å; Y489-S498 WeakPolarHBondContact CD1-O 3.48Å; Y489-S498 WeakPolarHBondContact CE1-O 3.42Å; Y489-S498 PolarHBondContact N-O 3.05Å; Y489-S498 PolarHBondContact O-N 2.93Å; Y489-K500 HydrophobicContact CE1-CB 4.29Å; Y489-K500 WeakPolarHBondContact CE1-O 3.39Å; Y489-H519 AromaticContact CD1-CE1 3.57Å; Y489-H519 AromaticContact CD1-NE2 3.63Å; Y489-H519 AromaticContact CD2-CE1 3.57Å; Y489-H519 AromaticContact CE1-CE1 3.92Å; Y489-H519 AromaticContact CE1-NE2 3.57Å; Y489-H519 AromaticContact CE2-CE1 3.89Å; Y489-H519 AromaticContact CG-CE1 3.4Å; Y489-H519 AromaticContact CG-NE2 3.92Å; Y489-H519 AromaticContact CZ-NE2 3.75Å; Y489-T521 WeakPolarHBondContact CB-OG1 3.36Å; Y489-T521 HydrophobicContact CD2-CG2 4.03Å; Y489-T521 WeakPolarHBondContact CD2-OG1 3.49Å; Y489-T521 HydrophobicContact CE2-CG2 4.43Å; Y489-L522 CarbonylContact C-O 3.59Å; Y489-L522 WeakPolarHBondContact CA-O 3.47Å; Y489-L522 WeakPolarHBondContact CB-O 3.29Å
490	W	82.6	Confident	80.9	Confident	10 Å²	10	48 Å²	48	4%	0.038	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	114	178.4	-176.5	-108.8	0	0	0	110	Y338 I492 E495 W497 L522	Y338-W490 HydrophobicContact CD1-CD2 4.03Å; Y338-W490 AromaticContact CD1-CE2 3.46Å; Y338-W490 VanDerWaalsContact CD1-CE2 3.46Å; Y338-W490 HydrophobicContact CD1-CH2 4.02Å; Y338-W490 AromaticContact CD1-CZ2 3.46Å; Y338-W490 HydrophobicContact CD1-CZ2 3.46Å; Y338-W490 VanDerWaalsContact CD1-CZ2 3.46Å; Y338-W490 AromaticContact CD1-NE1 3.78Å; Y338-W490 AromaticContact CD2-CD2 4Å; Y338-W490 HydrophobicContact CD2-CD2 4Å; Y338-W490 HydrophobicContact CD2-CE3 4.37Å; Y338-W490 HydrophobicContact CD2-CG 4.12Å; Y338-W490 HydrophobicContact CE1-CD2 4.42Å; Y338-W490 AromaticContact CE1-CE2 3.73Å; Y338-W490 HydrophobicContact CE1-CZ2 4.05Å; Y338-W490 AromaticContact CE1-NE1 3.51Å; Y338-W490 HydrophobicContact CE2-CD2 4.38Å; Y338-W490 HydrophobicContact CE2-CG 4.11Å; Y338-W490 AromaticContact CG-CD2 3.81Å; Y338-W490 HydrophobicContact CG-CD2 3.81Å; Y338-W490 AromaticContact CG-CE2 3.75Å; Y338-W490 HydrophobicContact CG-CE3 4.02Å; Y338-W490 HydrophobicContact CG-CG 4.38Å; Y338-W490 HydrophobicContact CG-CH2 4.12Å; Y338-W490 AromaticContact CG-CZ2 3.92Å; Y338-W490 HydrophobicContact CG-CZ2 3.92Å; Y338-W490 HydrophobicContact CG-CZ3 4.17Å; Y338-W490 AromaticContact CZ-CD1 3.86Å; Y338-W490 AromaticContact CZ-NE1 3.76Å; W490-I492 PolarHBondContact O-N 2.98Å; W490-E495 HydrophobicContact CH2-CB 4.37Å; W490-E495 WeakPolarHBondContact CH2-O 3.26Å; W490-E495 HydrophobicContact CZ2-CB 4.08Å; W490-W497 HydrophobicContact CB-CD2 4.49Å; W490-W497 HydrophobicContact CB-CE3 4.18Å; W490-W497 HydrophobicContact CB-CH2 4.17Å; W490-W497 HydrophobicContact CB-CZ2 4.43Å; W490-W497 HydrophobicContact CB-CZ3 4.03Å; W490-W497 AromaticContact CE3-CD1 3.56Å; W490-W497 AromaticContact CE3-CD2 3.74Å; W490-W497 HydrophobicContact CE3-CD2 3.74Å; W490-W497 AromaticContact CE3-CE2 3.53Å; W490-W497 AromaticContact CE3-CG 3.77Å; W490-W497 HydrophobicContact CE3-CG 3.77Å; W490-W497 HydrophobicContact CE3-CZ2 4.19Å; W490-W497 AromaticContact CE3-NE1 3.4Å; W490-W497 AromaticContact CZ3-CD1 3.5Å; W490-W497 HydrophobicContact CZ3-CD2 4.46Å; W490-W497 HydrophobicContact CZ3-CG 4.11Å; W490-W497 AromaticContact CZ3-NE1 3.5Å; W490-L522 HydrophobicContact CB-CB 4.28Å; W490-L522 HydrophobicContact CB-CD2 3.67Å; W490-L522 PolarHBondContact N-O 3.49Å
491	H	79.6	Confident	80.9	Confident	48 Å²	48	49.5 Å²	49.5	22%	0.222	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	99.4	176	-166.6	-84.3	0	0	0	109.9	Y489 E493 N494 E495 E496	Y489-H491 HydrophobicContact CE2-CB 4.09Å; Y489-H491 AromaticContact CE2-CD2 3.86Å; Y489-H491 PolarHBondContact O-N 3.47Å; H491-E493 VanDerWaalsContact C-N 3.31Å; H491-E493 PolarHBondContact O-N 3.38Å; H491-N494 HydrophobicContact CB-CB 4.36Å; H491-N494 VanDerWaalsContact ND1-CB 3.34Å; H491-N494 WeakPolarHBondContact ND1-CB 3.37Å; H491-N494 PolarHBondContact ND1-N 2.04Å; H491-N494 VanDerWaalsContact ND1-N 3.18Å; H491-N494 PolarHBondContact O-N 2.77Å; H491-E495 WeakPolarHBondContact O-CA 3.16Å; H491-E495 PolarHBondContact O-N 2.84Å; H491-E496 HydrophobicContact CB-CG 4.32Å; H491-E496 WeakPolarHBondContact CB-O 3.25Å; H491-E496 PolarHBondContact N-O 3.39Å
492	I	74.6	Confident	81.3	Confident	133 Å²	133	49.7 Å²	49.7	68%	0.682	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-42.2	-172.5	-61.1	172.3	0	0	0	112.4	W490	W490-I492 PolarHBondContact O-N 2.98Å
493	E	76.3	Confident	81.8	Confident	159 Å²	159	55 Å²	55	74%	0.743	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-27.7	-175.7	-59.8	-179.2	177.1	0	0	113.7	H491	H491-E493 VanDerWaalsContact C-N 3.31Å; H491-E493 PolarHBondContact O-N 3.38Å
494	N	74.6	Confident	82.3	Confident	92 Å²	92	55.3 Å²	55.3	49%	0.492	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-8.3	-178.4	-67.8	0.3	0	0	0	111.8	H491 E496	H491-N494 HydrophobicContact CB-CB 4.36Å; H491-N494 VanDerWaalsContact ND1-CB 3.34Å; H491-N494 WeakPolarHBondContact ND1-CB 3.37Å; H491-N494 PolarHBondContact ND1-N 2.04Å; H491-N494 VanDerWaalsContact ND1-N 3.18Å; H491-N494 PolarHBondContact O-N 2.77Å; N494-E496 HydrophobicContact CB-CG 3.79Å; N494-E496 PolarHBondContact ND2-OE1 3.25Å; N494-E496 PolarHBondContact O-N 3.24Å
495	E	75.6	Confident	82.8	Confident	110 Å²	110	55 Å²	55	51%	0.514	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	40.8	-173.6	-55.9	-173.4	-179.9	0	0	113.5	K252 W490 H491	K252-E495 IonicContact NZ-OE2 2.74Å; K252-E495 PolarHBondContact NZ-OE2 2.95Å; W490-E495 HydrophobicContact CH2-CB 4.37Å; W490-E495 WeakPolarHBondContact CH2-O 3.26Å; W490-E495 HydrophobicContact CZ2-CB 4.08Å; H491-E495 WeakPolarHBondContact O-CA 3.16Å; H491-E495 PolarHBondContact O-N 2.84Å
496	E	80.2	Confident	82.9	Confident	85 Å²	85	62.6 Å²	62.6	40%	0.397	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	149.3	-177.9	74.9	-172.7	161	0	0	111.9	H491 N494	H491-E496 HydrophobicContact CB-CG 4.32Å; H491-E496 WeakPolarHBondContact CB-O 3.25Å; H491-E496 PolarHBondContact N-O 3.39Å; N494-E496 HydrophobicContact CB-CG 3.79Å; N494-E496 PolarHBondContact ND2-OE1 3.25Å; N494-E496 PolarHBondContact O-N 3.24Å
497	W	80.6	Confident	83	Confident	26 Å²	26	65.8 Å²	65.8	10%	0.098	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	120.4	165.8	-71.7	100.1	0	0	0	109.2	Y338 A341 I343 I347 L488 Y489 W490 L522	Y338-W497 AromaticContact CD2-CZ2 3.88Å; Y338-W497 HydrophobicContact CD2-CZ2 3.88Å; Y338-W497 HydrophobicContact CG-CZ2 4.46Å; A341-W497 HydrophobicContact CB-CB 4.28Å; A341-W497 HydrophobicContact CB-CG 4Å; I343-W497 HydrophobicContact CD1-CD2 3.47Å; I343-W497 VanDerWaalsContact CD1-CD2 3.47Å; I343-W497 HydrophobicContact CD1-CE3 3.73Å; I343-W497 HydrophobicContact CD1-CG 4.2Å; I343-W497 HydrophobicContact CD1-CH2 3.4Å; I343-W497 VanDerWaalsContact CD1-CH2 3.4Å; I343-W497 HydrophobicContact CD1-CZ2 3.13Å; I343-W497 HydrophobicContact CD1-CZ3 3.7Å; I347-W497 HydrophobicContact CD1-CH2 3.95Å; I347-W497 HydrophobicContact CD1-CZ2 4.06Å; I347-W497 HydrophobicContact CG1-CH2 4.39Å; L488-W497 HydrophobicContact CB-CB 4.45Å; L488-W497 HydrophobicContact CB-CE3 3.84Å; L488-W497 HydrophobicContact CD1-CB 4.31Å; Y489-W497 VanDerWaalsContact C-CE3 3.41Å; Y489-W497 CarbonylContact O-C 3.55Å; Y489-W497 WeakPolarHBondContact O-CA 3.47Å; W490-W497 HydrophobicContact CB-CD2 4.49Å; W490-W497 HydrophobicContact CB-CE3 4.18Å; W490-W497 HydrophobicContact CB-CH2 4.17Å; W490-W497 HydrophobicContact CB-CZ2 4.43Å; W490-W497 HydrophobicContact CB-CZ3 4.03Å; W490-W497 AromaticContact CE3-CD1 3.56Å; W490-W497 AromaticContact CE3-CD2 3.74Å; W490-W497 HydrophobicContact CE3-CD2 3.74Å; W490-W497 AromaticContact CE3-CE2 3.53Å; W490-W497 AromaticContact CE3-CG 3.77Å; W490-W497 HydrophobicContact CE3-CG 3.77Å; W490-W497 HydrophobicContact CE3-CZ2 4.19Å; W490-W497 AromaticContact CE3-NE1 3.4Å; W490-W497 AromaticContact CZ3-CD1 3.5Å; W490-W497 HydrophobicContact CZ3-CD2 4.46Å; W490-W497 HydrophobicContact CZ3-CG 4.11Å; W490-W497 AromaticContact CZ3-NE1 3.5Å; W497-L522 HydrophobicContact CH2-CD2 3.46Å; W497-L522 VanDerWaalsContact CH2-CD2 3.46Å; W497-L522 HydrophobicContact CZ2-CD2 4.26Å; W497-L522 HydrophobicContact CZ3-CD2 4.02Å
498	S	81.9	Confident	83	Confident	12 Å²	12	65.6 Å²	65.6	8%	0.084	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	155.2	178.8	-171.4	0	0	0	0	110.7	L488 Y489 K500	L488-S498 CarbonylContact C-O 3.6Å; L488-S498 WeakPolarHBondContact CA-O 3.38Å; Y489-S498 WeakPolarHBondContact CD1-O 3.48Å; Y489-S498 WeakPolarHBondContact CE1-O 3.42Å; Y489-S498 PolarHBondContact N-O 3.05Å; Y489-S498 PolarHBondContact O-N 2.93Å; S498-K500 PolarHBondContact OG-N 3.39Å
499	D	82.4	Confident	82.8	Confident	52 Å²	52	67.8 Å²	67.8	28%	0.278	33%	0.328	S	S	.	.			trans	-104	-4.3	173.6	64.1	-19.6	0	0	0	112.3	L488 G501 C502	L488-D499 HydrophobicContact CD2-CB 4.05Å; D499-G501 PolarHBondContact O-N 3.36Å; D499-C502 WeakPolarHBondContact O-CA 3.39Å; D499-C502 PolarHBondContact O-N 3.31Å
500	K	84.6	Confident	82.3	Confident	146 Å²	146	68.9 Å²	68.9	64%	0.635	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	123.4	-176.2	-70.9	179.8	-177.3	170.5	0	112.4	Y489 S498 C502 H519	Y489-K500 HydrophobicContact CE1-CB 4.29Å; Y489-K500 WeakPolarHBondContact CE1-O 3.39Å; S498-K500 PolarHBondContact OG-N 3.39Å; K500-C502 PolarHBondContact O-N 3.15Å; K500-H519 PolarHBondContact O-NE2 3.45Å; K500-H519 VanDerWaalsContact O-NE2 3.11Å
501	G	84.5	Confident	82	Confident	33 Å²	33	73.8 Å²	73.8	34%	0.34	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	1.5	-178	0	0	0	0	0	114.3	D499 C517 N518	D499-G501 PolarHBondContact O-N 3.36Å; G501-C517 CarbonylContact O-C 3.57Å; G501-C517 VanDerWaalsContact O-CA 3.28Å; G501-C517 WeakPolarHBondContact O-CA 3.35Å; G501-N518 WeakPolarHBondContact CA-OD1 3.48Å; G501-N518 PolarHBondContact O-N 2.65Å; G501-N518 PolarHBondContact O-OD1 3.31Å
502	C	88.4	Confident	82.2	Confident	15 Å²	15	72.5 Å²	72.5	10%	0.101	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	145.7	175	-72.5	0	0	0	0	111.4	C487 D499 K500 L516 C517	C487-C502 HydrophobicContact CB-CB 4.38Å; D499-C502 WeakPolarHBondContact O-CA 3.39Å; D499-C502 PolarHBondContact O-N 3.31Å; K500-C502 PolarHBondContact O-N 3.15Å; C502-L516 CarbonylContact C-O 3.56Å; C502-L516 VanDerWaalsContact CA-O 3.28Å; C502-L516 WeakPolarHBondContact CA-O 3.3Å; C502-C517 HydrophobicContact CB-CB 4.22Å; C502-C517 WeakPolarHBondContact CB-SG 3.24Å; C502-C517 WeakPolarHBondContact SG-CB 3.47Å; C502-C517 CovalentContact SG-SG 2.05Å; C502-C517 PolarHBondContact SG-SG 3.08Å
503	R	88.4	Confident	82.9	Confident	151 Å²	151	66.1 Å²	66.1	57%	0.57	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.6	158	172.7	64	-177.3	178.2	-176.9	0.6	111.5	L516	R503-L516 HydrophobicContact CG-CB 3.9Å; R503-L516 HydrophobicContact CG-CD1 4.38Å; R503-L516 PolarHBondContact N-O 2.96Å; R503-L516 PolarHBondContact O-N 3.16Å
504	V	90.1	Very high	83.6	Confident	12 Å²	12	59 Å²	59	7%	0.073	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	135.2	175.3	-174.9	0	0	0	0	109.3	T405 L407 L448 T485 C487 S508	T405-V504 HydrophobicContact CG2-CB 4.19Å; T405-V504 HydrophobicContact CG2-CG1 4.5Å; T405-V504 HydrophobicContact CG2-CG2 4.5Å; L407-V504 HydrophobicContact CD1-CG1 4.27Å; L448-V504 HydrophobicContact CD2-CB 4.27Å; L448-V504 HydrophobicContact CD2-CG1 4.15Å; L448-V504 WeakPolarHBondContact CD2-O 3.46Å; T485-V504 HydrophobicContact CG2-CB 4.38Å; T485-V504 HydrophobicContact CG2-CG1 3.62Å; T485-V504 HydrophobicContact CG2-CG2 3.85Å; C487-V504 HydrophobicContact CB-CG2 4.47Å; V504-S508 WeakPolarHBondContact CG1-OG 3.49Å
505	G	87.9	Confident	84.3	Confident	3 Å²	3	54.7 Å²	54.7	3%	0.031	27%	0.267	C	S	.	.			trans	-101.4	161.8	178.1	0	0	0	0	0	113.3	K507 S508 H514	G505-K507 VanDerWaalsContact C-N 3.3Å; G505-K507 PolarHBondContact O-N 3.06Å; G505-S508 WeakPolarHBondContact O-CB 3.27Å; G505-S508 PolarHBondContact O-N 3.04Å; G505-S508 PolarHBondContact O-OG 3.31Å; G505-H514 WeakPolarHBondContact CA-ND1 3.37Å; G505-H514 PolarHBondContact N-O 3.35Å
506	E	86.1	Confident	85.1	Confident	158 Å²	158	50.8 Å²	50.8	74%	0.738	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-27.2	-171.7	-64.6	171.7	178.7	0	0	114.3	R446 S508	R446-E506 PolarHBondContact NH1-O 2.92Å; E506-S508 PolarHBondContact O-N 3.41Å; E506-S508 VanDerWaalsContact O-N 3.11Å
507	K	86.4	Confident	85.6	Confident	110 Å²	110	46.8 Å²	46.8	48%	0.478	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	7.3	176.4	-55.3	174	-174.7	163.3	0	114.2	E369 F371 G505 H514	E369-K507 IonicContact OE2-NZ 2.79Å; E369-K507 PolarHBondContact OE2-NZ 3.47Å; F371-K507 HydrophobicContact CE1-CB 4.07Å; F371-K507 HydrophobicContact CE1-CD 3.98Å; F371-K507 HydrophobicContact CZ-CD 3.95Å; G505-K507 VanDerWaalsContact C-N 3.3Å; G505-K507 PolarHBondContact O-N 3.06Å; K507-H514 HydrophobicContact CB-CB 4.05Å
508	S	86.5	Confident	85.9	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.234	C	C	.	.			trans	-70.1	135.9	177.2	-61.9	0	0	0	0	111.4	L407 R446 Y483 V504 G505 E506 L512 H514	L407-S508 WeakPolarHBondContact CD2-O 3.5Å; R446-S508 PolarHBondContact NH1-O 3.09Å; Y483-S508 PolarHBondContact OH-O 3.29Å; V504-S508 WeakPolarHBondContact CG1-OG 3.49Å; G505-S508 WeakPolarHBondContact O-CB 3.27Å; G505-S508 PolarHBondContact O-N 3.04Å; G505-S508 PolarHBondContact O-OG 3.31Å; E506-S508 PolarHBondContact O-N 3.41Å; E506-S508 VanDerWaalsContact O-N 3.11Å; S508-L512 CarbonylContact C-O 3.46Å; S508-L512 WeakPolarHBondContact CA-O 3.25Å; S508-H514 WeakPolarHBondContact OG-CB 3.18Å; S508-H514 PolarHBondContact OG-N 3.14Å; S508-H514 PolarHBondContact OG-O 3.19Å
509	T	81.4	Confident	86.1	Confident	46 Å²	46	47.1 Å²	47.1	28%	0.282	23%	0.233	S	C	.	.			trans	-127	172.5	177.3	69.2	0	0	0	0	109.6	Y483 E511 L512	Y483-T509 VanDerWaalsContact OH-CA 3.28Å; Y483-T509 WeakPolarHBondContact OH-CA 3.4Å; T509-E511 PolarHBondContact O-N 2.84Å; T509-E511 PolarHBondContact OG1-N 2.88Å; T509-L512 PolarHBondContact N-O 3.41Å; T509-L512 PolarHBondContact O-N 3.35Å; T509-L512 WeakPolarHBondContact OG1-CB 3.47Å; T509-L512 PolarHBondContact OG1-N 3.11Å
510	P	74.8	Confident	85.8	Confident	46 Å²	46	45.5 Å²	45.5	30%	0.299	22%	0.224	S	C	.	.	S	Bend	trans	-57.8	-33.8	172.7	-26.4	36	0	0	0	112.9	L380 Y483	L380-P510 HydrophobicContact CD1-CB 4.39Å; L380-P510 HydrophobicContact CD1-CG 4.36Å; L380-P510 HydrophobicContact CD2-CB 4.49Å; L380-P510 HydrophobicContact CD2-CG 3.97Å; Y483-P510 HydrophobicContact CD1-CG 4.44Å; Y483-P510 HydrophobicContact CE1-CG 3.81Å
511	E	77.7	Confident	85.4	Confident	113 Å²	113	40.4 Å²	40.4	53%	0.528	21%	0.206	S	C	.	.	S	Bend	trans	-91.7	-16.7	-176.7	-61.3	-179.5	-176.8	0	0	113.7	R374 T509	R374-E511 VanDerWaalsContact CB-O 3.32Å; R374-E511 WeakPolarHBondContact CB-O 3.31Å; R374-E511 PolarHBondContact N-O 3.2Å; T509-E511 PolarHBondContact O-N 2.84Å; T509-E511 PolarHBondContact OG1-N 2.88Å
512	L	83.8	Confident	84.9	Confident	20 Å²	20	39.3 Å²	39.3	11%	0.105	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	124.6	-173.1	-169.5	75.5	0	0	0	111.4	F307 F371 S508 T509	F307-L512 HydrophobicContact CE1-CD2 4.43Å; F371-L512 HydrophobicContact CB-CD1 4.19Å; F371-L512 HydrophobicContact CB-CD2 4.27Å; F371-L512 HydrophobicContact CB-CG 4.36Å; F371-L512 HydrophobicContact CD1-CD2 3.77Å; F371-L512 HydrophobicContact CD1-CG 4.4Å; F371-L512 HydrophobicContact CG-CD2 4.46Å; S508-L512 CarbonylContact C-O 3.46Å; S508-L512 WeakPolarHBondContact CA-O 3.25Å; T509-L512 PolarHBondContact N-O 3.41Å; T509-L512 PolarHBondContact O-N 3.35Å; T509-L512 WeakPolarHBondContact OG1-CB 3.47Å; T509-L512 PolarHBondContact OG1-N 3.11Å
513	T	87.8	Confident	84.3	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	132.7	170.4	-22	0	0	0	0	110	F371 L372 R374 S525	F371-T513 CarbonylContact C-O 3.59Å; F371-T513 VanDerWaalsContact CA-O 3.27Å; F371-T513 WeakPolarHBondContact CA-O 3.22Å; L372-T513 PolarHBondContact N-O 2.76Å; L372-T513 PolarHBondContact O-N 3.49Å; L372-T513 PolarHBondContact O-OG1 2.73Å; R374-T513 PolarHBondContact NE-OG1 3.33Å; R374-T513 PolarHBondContact NH2-OG1 3.11Å; T513-S525 PolarHBondContact OG1-OG 3.07Å
514	H	91.2	Very high	83.4	Confident	8 Å²	8	31.5 Å²	31.5	4%	0.037	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	119.4	166	178.8	-145.5	0	0	0	109.3	E369 F371 G505 K507 S508 L516	E369-H514 IonicContact OE2-CE1 3.76Å; E369-H514 IonicContact OE2-NE2 2.63Å; E369-H514 PolarHBondContact OE2-NE2 3Å; F371-H514 HydrophobicContact CD1-CB 4.07Å; F371-H514 AromaticContact CD1-CD2 3.86Å; F371-H514 HydrophobicContact CE1-CB 3.92Å; F371-H514 AromaticContact CE1-CD2 3.34Å; F371-H514 WeakPolarHBondContact CE1-CD2 3.3Å; F371-H514 AromaticContact CE1-CG 3.6Å; F371-H514 AromaticContact CE1-NE2 3.95Å; F371-H514 AromaticContact CE2-CD2 3.84Å; F371-H514 AromaticContact CZ-CD2 3.32Å; F371-H514 WeakPolarHBondContact CZ-CD2 3.32Å; F371-H514 AromaticContact CZ-CG 3.99Å; F371-H514 AromaticContact CZ-NE2 3.51Å; G505-H514 WeakPolarHBondContact CA-ND1 3.37Å; G505-H514 PolarHBondContact N-O 3.35Å; K507-H514 HydrophobicContact CB-CB 4.05Å; S508-H514 WeakPolarHBondContact OG-CB 3.18Å; S508-H514 PolarHBondContact OG-N 3.14Å; S508-H514 PolarHBondContact OG-O 3.19Å; H514-L516 WeakPolarHBondContact NE2-CD2 3.25Å
515	C	90.7	Very high	82.3	Confident	2 Å²	2	30.9 Å²	30.9	1%	0.014	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	134.7	179.6	-65	0	0	0	0	110.4	I370 C487	I370-C515 HydrophobicContact CB-CB 4.19Å; I370-C515 PolarHBondContact N-O 3.31Å; I370-C515 PolarHBondContact O-N 3.01Å; C487-C515 HydrophobicContact CB-CB 3.68Å; C487-C515 WeakPolarHBondContact CB-SG 3.45Å; C487-C515 WeakPolarHBondContact SG-CA 3.46Å; C487-C515 WeakPolarHBondContact SG-CB 3.07Å; C487-C515 CovalentContact SG-SG 2.03Å; C487-C515 PolarHBondContact SG-SG 3.1Å
516	L	90.8	Very high	80.9	Confident	29 Å²	29	31.4 Å²	31.4	15%	0.152	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	111.6	177.4	-63.7	174	0	0	0	108.1	M367 V368 E369 C502 R503 H514	M367-L516 HydrophobicContact CB-CB 4.08Å; M367-L516 HydrophobicContact CB-CD2 4.32Å; M367-L516 HydrophobicContact CG-CB 4.29Å; V368-L516 WeakPolarHBondContact O-CA 3.42Å; E369-L516 HydrophobicContact CB-CD2 4.39Å; E369-L516 HydrophobicContact CG-CD2 3.72Å; C502-L516 CarbonylContact C-O 3.56Å; C502-L516 VanDerWaalsContact CA-O 3.28Å; C502-L516 WeakPolarHBondContact CA-O 3.3Å; R503-L516 HydrophobicContact CG-CB 3.9Å; R503-L516 HydrophobicContact CG-CD1 4.38Å; R503-L516 PolarHBondContact N-O 2.96Å; R503-L516 PolarHBondContact O-N 3.16Å; H514-L516 WeakPolarHBondContact NE2-CD2 3.25Å
517	C	90.8	Very high	79.1	Confident	1 Å²	1	25 Å²	25	1%	0.007	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	144.1	-177	-63.4	0	0	0	0	111.9	M367 V368 I370 G501 C502 F523	M367-C517 WeakPolarHBondContact CA-O 3.42Å; M367-C517 VanDerWaalsContact SD-C 3.54Å; V368-C517 PolarHBondContact N-O 3.49Å; V368-C517 PolarHBondContact O-N 3.32Å; I370-C517 HydrophobicContact CD1-CB 3.99Å; G501-C517 CarbonylContact O-C 3.57Å; G501-C517 VanDerWaalsContact O-CA 3.28Å; G501-C517 WeakPolarHBondContact O-CA 3.35Å; C502-C517 HydrophobicContact CB-CB 4.22Å; C502-C517 WeakPolarHBondContact CB-SG 3.24Å; C502-C517 WeakPolarHBondContact SG-CB 3.47Å; C502-C517 CovalentContact SG-SG 2.05Å; C502-C517 PolarHBondContact SG-SG 3.08Å; C517-F523 HydrophobicContact CB-CE1 3.72Å; C517-F523 HydrophobicContact CB-CZ 4.21Å; C517-F523 WeakPolarHBondContact SG-CE1 3.35Å
518	N	88.5	Confident	77.1	Confident	30 Å²	30	24.1 Å²	24.1	16%	0.16	13%	0.126	C	C	.	.	S	Bend	trans	-93.1	8.6	179.4	72.5	-13.7	0	0	0	114	N363 L364 M367 G501	N363-N518 PolarHBondContact N-O 3.41Å; N363-N518 VanDerWaalsContact N-O 3.1Å; L364-N518 PolarHBondContact N-O 3.04Å; M367-N518 HydrophobicContact CE-CB 4.14Å; M367-N518 HydrophobicContact SD-CB 3.64Å; M367-N518 PolarHBondContact SD-N 2.98Å; G501-N518 WeakPolarHBondContact CA-OD1 3.48Å; G501-N518 PolarHBondContact O-N 2.65Å; G501-N518 PolarHBondContact O-OD1 3.31Å
519	H	85.4	Confident	74.9	Confident	15 Å²	15	25.9 Å²	25.9	7%	0.069	14%	0.137	C	C	.	.	S	Bend	trans	-140.7	170.3	-179.9	57.9	70.1	0	0	0	110.4	L361 E362 Y489 K500 T521 F523	L361-H519 CarbonylContact O-C 3.53Å; L361-H519 WeakPolarHBondContact O-CA 3.34Å; L361-H519 WeakPolarHBondContact O-CB 3.23Å; E362-H519 HydrophobicContact CG-CB 4.36Å; Y489-H519 AromaticContact CD1-CE1 3.57Å; Y489-H519 AromaticContact CD1-NE2 3.63Å; Y489-H519 AromaticContact CD2-CE1 3.57Å; Y489-H519 AromaticContact CE1-CE1 3.92Å; Y489-H519 AromaticContact CE1-NE2 3.57Å; Y489-H519 AromaticContact CE2-CE1 3.89Å; Y489-H519 AromaticContact CG-CE1 3.4Å; Y489-H519 AromaticContact CG-NE2 3.92Å; Y489-H519 AromaticContact CZ-NE2 3.75Å; K500-H519 PolarHBondContact O-NE2 3.45Å; K500-H519 VanDerWaalsContact O-NE2 3.11Å; H519-T521 PolarHBondContact CE1-OG1 2.77Å; H519-T521 PolarHBondContact ND1-OG1 3.12Å; H519-T521 VanDerWaalsContact ND1-OG1 3.08Å; H519-F523 AromaticContact CE1-CE1 3.85Å; H519-F523 AromaticContact ND1-CE1 3.89Å; H519-F523 WeakPolarHBondContact O-CZ 3.22Å
520	L	76.9	Confident	73	Confident	18 Å²	18	26 Å²	26	9%	0.094	14%	0.135	C	C	.	.			trans	-113.7	117.8	171.6	-69	179.4	0	0	0	109.9	L310 F350 L352 L361 V368	L310-L520 HydrophobicContact CD2-CD2 4.4Å; F350-L520 HydrophobicContact CD1-CD1 3.71Å; F350-L520 HydrophobicContact CD1-CD2 3.57Å; F350-L520 HydrophobicContact CD1-CG 4.14Å; F350-L520 HydrophobicContact CE1-CD1 3.73Å; F350-L520 HydrophobicContact CE1-CD2 4.05Å; F350-L520 HydrophobicContact CG-CD2 4.34Å; L352-L520 HydrophobicContact CD1-CD1 3.59Å; L352-L520 HydrophobicContact CG-CD1 3.8Å; L361-L520 HydrophobicContact CB-CB 4.49Å; L361-L520 HydrophobicContact CB-CD1 4.04Å; L361-L520 HydrophobicContact CB-CG 4.12Å; L361-L520 HydrophobicContact CD1-CD1 3.56Å; L361-L520 HydrophobicContact CD1-CG 4.26Å; L361-L520 HydrophobicContact CG-CD1 3.91Å; L361-L520 PolarHBondContact O-N 2.9Å; V368-L520 HydrophobicContact CB-CD2 4.43Å; V368-L520 HydrophobicContact CG1-CD2 3.99Å; V368-L520 HydrophobicContact CG2-CD2 3.86Å
521	T	75.7	Confident	71.1	Confident	39 Å²	39	28.1 Å²	28.1	24%	0.239	15%	0.148	C	C	.	.	S	Bend	trans	-148.9	-161.1	-179.7	52.5	0	0	0	0	109.9	F350 Y489 H519 F523	F350-T521 PolarHBondContact N-O 3.39Å; Y489-T521 WeakPolarHBondContact CB-OG1 3.36Å; Y489-T521 HydrophobicContact CD2-CG2 4.03Å; Y489-T521 WeakPolarHBondContact CD2-OG1 3.49Å; Y489-T521 HydrophobicContact CE2-CG2 4.43Å; H519-T521 PolarHBondContact CE1-OG1 2.77Å; H519-T521 PolarHBondContact ND1-OG1 3.12Å; H519-T521 VanDerWaalsContact ND1-OG1 3.08Å; T521-F523 VanDerWaalsContact N-CZ 3.27Å; T521-F523 WeakPolarHBondContact O-CD2 3.3Å; T521-F523 WeakPolarHBondContact O-CE2 3.5Å; T521-F523 WeakPolarHBondContact OG1-CE1 3.47Å
522	L	73	Confident	69.1	Low	10 Å²	10	28.7 Å²	28.7	5%	0.052	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	117.9	170.5	-177.1	148.2	0	0	0	109.5	F255 L259 Y338 I347 N349 Y489 W490 W497	F255-L522 HydrophobicContact CE1-CD1 4.48Å; L259-L522 HydrophobicContact CD1-CD1 3.79Å; Y338-L522 HydrophobicContact CD2-CD2 4.23Å; Y338-L522 HydrophobicContact CE2-CD1 3.82Å; Y338-L522 HydrophobicContact CE2-CD2 3.86Å; I347-L522 HydrophobicContact CG2-CD1 4.36Å; I347-L522 HydrophobicContact CG2-CD2 3.57Å; I347-L522 HydrophobicContact CG2-CG 3.87Å; N349-L522 HydrophobicContact CB-CD1 4.06Å; N349-L522 HydrophobicContact CB-CG 4.25Å; Y489-L522 CarbonylContact C-O 3.59Å; Y489-L522 WeakPolarHBondContact CA-O 3.47Å; Y489-L522 WeakPolarHBondContact CB-O 3.29Å; W490-L522 HydrophobicContact CB-CB 4.28Å; W490-L522 HydrophobicContact CB-CD2 3.67Å; W490-L522 PolarHBondContact N-O 3.49Å; W497-L522 HydrophobicContact CH2-CD2 3.46Å; W497-L522 VanDerWaalsContact CH2-CD2 3.46Å; W497-L522 HydrophobicContact CZ2-CD2 4.26Å; W497-L522 HydrophobicContact CZ3-CD2 4.02Å
523	F	76.4	Confident	67	Low	1 Å²	1	35.4 Å²	35.4	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	146.3	-172	-56.8	-76.4	0	0	0	112.3	I347 C348 I370 L488 C517 H519 T521	I347-F523 CarbonylContact C-O 3.49Å; I347-F523 VanDerWaalsContact CA-O 3.31Å; I347-F523 WeakPolarHBondContact CA-O 3.34Å; I347-F523 WeakPolarHBondContact CG2-O 3.48Å; C348-F523 PolarHBondContact N-O 2.94Å; C348-F523 PolarHBondContact O-N 3.42Å; I370-F523 HydrophobicContact CD1-CB 4.48Å; I370-F523 HydrophobicContact CD1-CD1 3.66Å; I370-F523 HydrophobicContact CD1-CD2 3.53Å; I370-F523 HydrophobicContact CD1-CE1 3.6Å; I370-F523 HydrophobicContact CD1-CE2 3.47Å; I370-F523 VanDerWaalsContact CD1-CE2 3.47Å; I370-F523 HydrophobicContact CD1-CG 3.62Å; I370-F523 HydrophobicContact CD1-CZ 3.5Å; I370-F523 HydrophobicContact CG1-CD2 4.36Å; I370-F523 HydrophobicContact CG1-CE2 4.4Å; I370-F523 HydrophobicContact CG2-CB 4.45Å; L488-F523 WeakPolarHBondContact O-CA 3.46Å; C517-F523 HydrophobicContact CB-CE1 3.72Å; C517-F523 HydrophobicContact CB-CZ 4.21Å; C517-F523 WeakPolarHBondContact SG-CE1 3.35Å; H519-F523 AromaticContact CE1-CE1 3.85Å; H519-F523 AromaticContact ND1-CE1 3.89Å; H519-F523 WeakPolarHBondContact O-CZ 3.22Å; T521-F523 VanDerWaalsContact N-CZ 3.27Å; T521-F523 WeakPolarHBondContact O-CD2 3.3Å; T521-F523 WeakPolarHBondContact O-CE2 3.5Å; T521-F523 WeakPolarHBondContact OG1-CE1 3.47Å
524	G	68.8	Low	64.8	Low	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	168.3	173.7	0	0	0	0	0	111.3	L488	L488-G524 PolarHBondContact N-O 3.46Å; L488-G524 PolarHBondContact O-N 3.39Å
525	S	67.8	Low	62.3	Low	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	144.1	175.1	67.9	0	0	0	0	113.2	I343 S344 G345 R374 R486 T513	I343-S525 WeakPolarHBondContact CA-O 2.89Å; I343-S525 WeakPolarHBondContact CG2-O 3.27Å; S344-S525 PolarHBondContact N-O 3.31Å; S344-S525 VanDerWaalsContact N-O 3.11Å; G345-S525 PolarHBondContact N-O 2.94Å; R374-S525 PolarHBondContact NH2-OG 3.12Å; R374-S525 VanDerWaalsContact NH2-OG 3.11Å; R486-S525 WeakPolarHBondContact O-CA 3.36Å; T513-S525 PolarHBondContact OG1-OG 3.07Å
526	S	59.1	Low	60.2	Low	13 Å²	13	46.5 Å²	46.5	9%	0.091	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	144.1	175	-172.9	0	0	0	0	110.7	N342 T485 R486	N342-S526 VanDerWaalsContact O-CB 3.29Å; N342-S526 WeakPolarHBondContact O-CB 3.17Å; N342-S526 PolarHBondContact O-OG 3.08Å; T485-S526 VanDerWaalsContact CA-O 3.27Å; T485-S526 WeakPolarHBondContact CA-O 3.36Å; T485-S526 PolarHBondContact OG1-O 3.28Å; R486-S526 PolarHBondContact N-O 2.94Å; R486-S526 PolarHBondContact O-N 2.96Å
527	F	47.6	Very low	58.4	Low	25 Å²	25	49.5 Å²	49.5	11%	0.11	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	131.6	-179.6	-177.8	-107.5	0	0	0	109.3	S344 Y483 L484 V529	S344-F527 WeakPolarHBondContact OG-CA 3.41Å; S344-F527 WeakPolarHBondContact OG-CB 3.44Å; S344-F527 PolarHBondContact OG-N 3.38Å; Y483-F527 HydrophobicContact CD2-CD2 4.11Å; Y483-F527 AromaticContact CD2-CE2 3.54Å; Y483-F527 HydrophobicContact CD2-CE2 3.54Å; Y483-F527 HydrophobicContact CE2-CE2 4.4Å; Y483-F527 AromaticContact CG-CE2 3.74Å; Y483-F527 HydrophobicContact CG-CE2 3.74Å; Y483-F527 HydrophobicContact CG-CZ 4.46Å; L484-F527 WeakPolarHBondContact O-CA 3.34Å; F527-V529 HydrophobicContact CD1-CG2 3.98Å; F527-V529 HydrophobicContact CE1-CG2 3.19Å; F527-V529 HydrophobicContact CZ-CG2 3.7Å
528	F	44	Very low	56.7	Low	91 Å²	91	56.7 Å²	56.7	40%	0.399	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	128.4	175.2	-174.8	-96.7	0	0	0	109.7	M404 L484	M404-F528 HydrophobicContact CE-CB 4.06Å; L484-F528 HydrophobicContact CB-CB 4.34Å; L484-F528 HydrophobicContact CD1-CD1 3.87Å; L484-F528 PolarHBondContact N-O 2.88Å; L484-F528 PolarHBondContact O-N 3.19Å
529	V	41.1	Very low	55.2	Low	37 Å²	37	56.2 Å²	56.2	22%	0.224	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-99.5	126.2	173.5	-172.8	0	0	0	0	108.2	F527	F527-V529 HydrophobicContact CD1-CG2 3.98Å; F527-V529 HydrophobicContact CE1-CG2 3.19Å; F527-V529 HydrophobicContact CZ-CG2 3.7Å
530	M	40.6	Very low	53.8	Low	49 Å²	49	59.2 Å²	59.2	24%	0.241	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-78.1	131.5	-178	-151.2	162.5	79.2	0	0	110.3	I397 N398 Y533	I397-M530 HydrophobicContact CG2-CE 4.48Å; I397-M530 HydrophobicContact CG2-SD 4.48Å; N398-M530 HydrophobicContact CB-SD 4.37Å; M530-Y533 HydrophobicContact CE-CE2 4.37Å
531	P	35	Very low	53.1	Low	89 Å²	89	64.3 Å²	64.3	58%	0.578	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-67	142.5	175.6	24.4	-30	0	0	0	110.8	Y533	P531-Y533 PolarHBondContact O-N 3.49Å
532	N	36.4	Very low	52.4	Low	126 Å²	126	64.8 Å²	64.8	67%	0.674	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-61.2	124.8	177.4	-76.1	-42.9	0	0	0	111.6	T381	T381-N532 WeakPolarHBondContact CG2-ND2 3.39Å; T381-N532 WeakPolarHBondContact CG2-OD1 3.5Å
533	Y	40.1	Very low	51.9	Low	161 Å²	161	68.6 Å²	68.6	63%	0.631	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-78.3	129.2	167.1	-73	-84.7	0	0	0	109.7	M530 P531 D535	M530-Y533 HydrophobicContact CE-CE2 4.37Å; P531-Y533 PolarHBondContact O-N 3.49Å; Y533-D535 PolarHBondContact O-N 3.31Å
534	V	41.1	Very low	51.1	Low	60 Å²	60	72.3 Å²	72.3	36%	0.364	39%	0.391	S	S	.	.			trans	-79.9	110.6	169.2	-177.3	0	0	0	0	107.7	V536 L1004	V534-V536 PolarHBondContact O-N 2.79Å; V534-V536 VanDerWaalsContact O-N 3.16Å; V534-L1004 HydrophobicContact CG1-CD2 3.84Å
535	D	38.7	Very low	51	Low	92 Å²	92	74.6 Å²	74.6	49%	0.492	41%	0.406	S	S	.	.			trans	-74.4	104.4	-178.6	-164.5	-13.8	0	0	0	110.8	Y533 S537 R538	Y533-D535 PolarHBondContact O-N 3.31Å; D535-S537 PolarHBondContact O-N 3.44Å; D535-S537 WeakPolarHBondContact OD1-CB 3.39Å; D535-S537 PolarHBondContact OD1-N 3.11Å; D535-S537 VanDerWaalsContact OD1-N 3.11Å; D535-S537 PolarHBondContact OD1-OG 3.4Å; D535-S537 PolarHBondContact OD2-OG 3.08Å; D535-R538 PolarHBondContact O-N 3.45Å
536	V	47.3	Very low	51.2	Low	91 Å²	91	76.1 Å²	76.1	55%	0.552	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-66.4	-15	-179.4	-167.5	0	0	0	0	111.6	V534 R538 T539 Y1000	V534-V536 PolarHBondContact O-N 2.79Å; V534-V536 VanDerWaalsContact O-N 3.16Å; V536-R538 VanDerWaalsContact C-N 3.35Å; V536-T539 PolarHBondContact O-N 3.28Å; V536-T539 PolarHBondContact O-OG1 2.95Å; V536-Y1000 WeakPolarHBondContact CG1-OH 3.33Å
537	S	52.9	Low	51.7	Low	92 Å²	92	82.7 Å²	82.7	64%	0.643	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-73.6	-25.2	177.4	71	0	0	0	0	113.2	D535 T539	D535-S537 PolarHBondContact O-N 3.44Å; D535-S537 WeakPolarHBondContact OD1-CB 3.39Å; D535-S537 PolarHBondContact OD1-N 3.11Å; D535-S537 VanDerWaalsContact OD1-N 3.11Å; D535-S537 PolarHBondContact OD1-OG 3.4Å; D535-S537 PolarHBondContact OD2-OG 3.08Å; S537-T539 VanDerWaalsContact C-N 3.32Å; S537-T539 PolarHBondContact O-N 2.74Å
538	R	53.6	Low	52.8	Low	152 Å²	152	88.6 Å²	88.6	57%	0.574	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-86	3.4	176.2	-87	-173.7	167.3	153.4	1.5	114.6	D535 V536 A540 E541 L542	D535-R538 PolarHBondContact O-N 3.45Å; V536-R538 VanDerWaalsContact C-N 3.35Å; R538-A540 PolarHBondContact O-N 2.89Å; R538-A540 VanDerWaalsContact O-N 3.1Å; R538-E541 IonicContact NE-OE2 2.97Å; R538-E541 PolarHBondContact NE-OE2 3.27Å; R538-E541 PolarHBondContact O-N 3.31Å; R538-L542 PolarHBondContact O-N 3.18Å
539	T	56.5	Low	54.4	Low	19 Å²	19	84.5 Å²	84.5	12%	0.117	46%	0.459	C	S	.	.	H	α-helix	trans	-56	-34.4	-176.8	-43.1	0	0	0	0	112	V536 S537 E541 L542 F543	V536-T539 PolarHBondContact O-N 3.28Å; V536-T539 PolarHBondContact O-OG1 2.95Å; S537-T539 VanDerWaalsContact C-N 3.32Å; S537-T539 PolarHBondContact O-N 2.74Å; T539-E541 PolarHBondContact O-N 3.35Å; T539-L542 PolarHBondContact O-N 3.18Å; T539-F543 HydrophobicContact CG2-CD2 3.89Å; T539-F543 HydrophobicContact CG2-CE2 3.52Å; T539-F543 WeakPolarHBondContact O-CD2 3.25Å; T539-F543 PolarHBondContact O-N 2.88Å
540	A	57.3	Low	56.5	Low	79 Å²	79	88.7 Å²	88.7	65%	0.653	47%	0.472	S	S	*	.	H	α-helix	trans	-65.4	-34.9	177.1	0	0	0	0	0	113.9	R538 F543 A544	R538-A540 PolarHBondContact O-N 2.89Å; R538-A540 VanDerWaalsContact O-N 3.1Å; A540-F543 PolarHBondContact O-N 2.83Å; A540-A544 PolarHBondContact O-N 3.4Å
541	E	62.1	Low	58.7	Low	125 Å²	125	87.5 Å²	87.5	58%	0.584	47%	0.467	S	S	*	.	H	α-helix	trans	-73.2	-37.6	176.2	-64.9	177.3	173.8	0	0	111	R538 T539 F543 A544 T545	R538-E541 IonicContact NE-OE2 2.97Å; R538-E541 PolarHBondContact NE-OE2 3.27Å; R538-E541 PolarHBondContact O-N 3.31Å; T539-E541 PolarHBondContact O-N 3.35Å; E541-F543 VanDerWaalsContact C-N 3.32Å; E541-F543 PolarHBondContact O-N 3.32Å; E541-A544 VanDerWaalsContact O-CB 3.29Å; E541-A544 WeakPolarHBondContact O-CB 3.39Å; E541-A544 PolarHBondContact O-N 2.9Å; E541-T545 PolarHBondContact O-N 2.87Å
542	L	61.1	Low	61.2	Low	48 Å²	48	83.2 Å²	83.2	25%	0.251	44%	0.44	S	S	.	.	H	α-helix	trans	-64.9	-32.1	172.4	-81.7	139.4	0	0	0	112.8	R538 T539 A544 T545 F1007	R538-L542 PolarHBondContact O-N 3.18Å; T539-L542 PolarHBondContact O-N 3.18Å; L542-A544 VanDerWaalsContact C-N 3.28Å; L542-T545 PolarHBondContact O-N 2.86Å; L542-T545 PolarHBondContact O-OG1 3.23Å; L542-F1007 HydrophobicContact CB-CB 4.43Å; L542-F1007 HydrophobicContact CD2-CB 4.02Å
543	F	61.6	Low	63.7	Low	91 Å²	91	80 Å²	80	40%	0.399	42%	0.422	S	S	.	.	H	α-helix	trans	-73	-20.7	171.2	-81	-71.2	0	0	0	112.7	T539 A540 E541 T545 V546 F1007	T539-F543 HydrophobicContact CG2-CD2 3.89Å; T539-F543 HydrophobicContact CG2-CE2 3.52Å; T539-F543 WeakPolarHBondContact O-CD2 3.25Å; T539-F543 PolarHBondContact O-N 2.88Å; A540-F543 PolarHBondContact O-N 2.83Å; E541-F543 VanDerWaalsContact C-N 3.32Å; E541-F543 PolarHBondContact O-N 3.32Å; F543-T545 VanDerWaalsContact C-N 3.33Å; F543-V546 HydrophobicContact CD1-CG2 4.4Å; F543-V546 WeakPolarHBondContact O-CB 3.42Å; F543-V546 WeakPolarHBondContact O-CG2 3.44Å; F543-V546 PolarHBondContact O-N 2.86Å; F543-F1007 HydrophobicContact CD1-CD2 4.29Å; F543-F1007 AromaticContact CD1-CE2 3.58Å; F543-F1007 HydrophobicContact CD1-CE2 3.58Å; F543-F1007 HydrophobicContact CD1-CZ 4.32Å; F543-F1007 HydrophobicContact CE1-CD2 4.33Å; F543-F1007 AromaticContact CE1-CE2 3.5Å; F543-F1007 HydrophobicContact CE1-CE2 3.5Å; F543-F1007 VanDerWaalsContact CE1-CE2 3.5Å; F543-F1007 HydrophobicContact CE1-CZ 4.35Å; F543-F1007 HydrophobicContact CG-CE2 4.47Å; F543-F1007 HydrophobicContact CZ-CE2 4.31Å
544	A	61	Low	66	Low	78 Å²	78	74.7 Å²	74.7	65%	0.645	41%	0.411	S	S	*	.	H	α-helix	trans	-73.8	-24.2	175.1	0	0	0	0	0	112.5	A540 E541 L542 V546	A540-A544 PolarHBondContact O-N 3.4Å; E541-A544 VanDerWaalsContact O-CB 3.29Å; E541-A544 WeakPolarHBondContact O-CB 3.39Å; E541-A544 PolarHBondContact O-N 2.9Å; L542-A544 VanDerWaalsContact C-N 3.28Å; A544-V546 VanDerWaalsContact C-N 3.26Å; A544-V546 PolarHBondContact O-N 3.15Å
545	T	65.8	Low	68.4	Low	49 Å²	49	73.4 Å²	73.4	30%	0.301	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-84.8	10.1	176.3	63.2	0	0	0	0	113.7	E541 L542 F543 N547 E548 N549	E541-T545 PolarHBondContact O-N 2.87Å; L542-T545 PolarHBondContact O-N 2.86Å; L542-T545 PolarHBondContact O-OG1 3.23Å; F543-T545 VanDerWaalsContact C-N 3.33Å; T545-N547 PolarHBondContact O-N 3.04Å; T545-N547 VanDerWaalsContact O-N 3.11Å; T545-E548 WeakPolarHBondContact O-CA 3.45Å; T545-E548 WeakPolarHBondContact O-CB 3.37Å; T545-E548 PolarHBondContact O-N 3.3Å; T545-N549 PolarHBondContact O-N 3.12Å
546	V	71.5	Confident	70.9	Confident	31 Å²	31	69.3 Å²	69.3	19%	0.188	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-53.2	-34.3	177.5	162.1	0	0	0	0	112.8	F543 A544 E548 N549 Y550 L553 F1007	F543-V546 HydrophobicContact CD1-CG2 4.4Å; F543-V546 WeakPolarHBondContact O-CB 3.42Å; F543-V546 WeakPolarHBondContact O-CG2 3.44Å; F543-V546 PolarHBondContact O-N 2.86Å; A544-V546 VanDerWaalsContact C-N 3.26Å; A544-V546 PolarHBondContact O-N 3.15Å; V546-E548 PolarHBondContact O-N 3.24Å; V546-N549 CarbonylContact O-C 3.54Å; V546-N549 PolarHBondContact O-N 3.44Å; V546-Y550 PolarHBondContact O-N 3.49Å; V546-L553 HydrophobicContact CG1-CD2 3.68Å; V546-F1007 HydrophobicContact CG2-CD1 4.47Å; V546-F1007 HydrophobicContact CG2-CE1 3.75Å; V546-F1007 HydrophobicContact CG2-CE2 4.16Å; V546-F1007 HydrophobicContact CG2-CZ 3.56Å
547	N	70.7	Confident	73	Confident	151 Å²	151	68.7 Å²	68.7	81%	0.807	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-66.6	-25.6	177.6	-72	-18.4	0	0	0	112.9	T545	T545-N547 PolarHBondContact O-N 3.04Å; T545-N547 VanDerWaalsContact O-N 3.11Å
548	E	71.2	Confident	75	Confident	149 Å²	149	67.1 Å²	67.1	70%	0.696	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-33.1	179.6	-58.5	-176.6	168.8	0	0	111.7	T545 V546	T545-E548 WeakPolarHBondContact O-CA 3.45Å; T545-E548 WeakPolarHBondContact O-CB 3.37Å; T545-E548 PolarHBondContact O-N 3.3Å; V546-E548 PolarHBondContact O-N 3.24Å
549	N	75.9	Confident	76.8	Confident	5 Å²	5	61.7 Å²	61.7	3%	0.027	35%	0.353	C	S	.	.			trans	-131.7	75.3	177.9	-166.2	4.6	0	0	0	113.8	T545 V546 V551 G1006 G1010 S1014	T545-N549 PolarHBondContact O-N 3.12Å; V546-N549 CarbonylContact O-C 3.54Å; V546-N549 PolarHBondContact O-N 3.44Å; N549-V551 VanDerWaalsContact C-N 3.34Å; N549-V551 PolarHBondContact O-N 3.46Å; N549-G1006 PolarHBondContact ND2-O 3.31Å; N549-G1010 WeakPolarHBondContact ND2-CA 3.34Å; N549-G1010 PolarHBondContact ND2-N 3.01Å; N549-G1010 PolarHBondContact ND2-O 2.7Å; N549-S1014 PolarHBondContact ND2-OG 3.18Å
550	Y	85.8	Confident	78.6	Confident	126 Å²	126	64.6 Å²	64.6	49%	0.494	36%	0.362	S	S	.	.			trans	-81.4	-6.4	178.6	66.4	-91.3	0	0	0	114.4	V546 V552 L553 A554	V546-Y550 PolarHBondContact O-N 3.49Å; Y550-V552 PolarHBondContact O-N 3.19Å; Y550-L553 PolarHBondContact O-N 3.33Å; Y550-A554 HydrophobicContact CD2-CB 4.23Å; Y550-A554 VanDerWaalsContact O-CB 3.29Å; Y550-A554 WeakPolarHBondContact O-CB 3.41Å; Y550-A554 PolarHBondContact O-N 3.17Å
551	V	87.3	Confident	80.4	Confident	23 Å²	23	62.5 Å²	62.5	14%	0.139	35%	0.348	C	S	.	.	H	α-helix	trans	-61.4	-49.4	-167.1	177.9	0	0	0	0	111.9	N549 A554 L555 K1011 I1015 V1018	N549-V551 VanDerWaalsContact C-N 3.34Å; N549-V551 PolarHBondContact O-N 3.46Å; V551-A554 PolarHBondContact O-N 3.26Å; V551-L555 PolarHBondContact O-N 3.2Å; V551-L555 VanDerWaalsContact O-N 3.09Å; V551-K1011 HydrophobicContact CG2-CG 4.01Å; V551-I1015 HydrophobicContact CG1-CG1 4.28Å; V551-I1015 HydrophobicContact CG2-CG1 4.14Å; V551-V1018 HydrophobicContact CG1-CG2 4.03Å
552	V	87.1	Confident	81.8	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-68.5	-39.9	-178.8	-178.2	0	0	0	0	111.1	Y550 L555 L556 T1002 W1017	Y550-V552 PolarHBondContact O-N 3.19Å; V552-L555 PolarHBondContact O-N 3.27Å; V552-L556 HydrophobicContact CG1-CD1 4.22Å; V552-L556 WeakPolarHBondContact O-CG 3.47Å; V552-L556 PolarHBondContact O-N 3.43Å; V552-T1002 HydrophobicContact CG1-CG2 3.91Å; V552-W1017 HydrophobicContact CG1-CZ3 4.32Å; V552-W1017 HydrophobicContact CG2-CE3 4.34Å; V552-W1017 HydrophobicContact CG2-CZ3 4.06Å
553	L	88.4	Confident	83.4	Confident	59 Å²	59	61.3 Å²	61.3	31%	0.309	34%	0.342	S	S	.	.	H	α-helix	trans	-63.5	-46.6	176.3	-179.5	62.5	0	0	0	111.6	V546 Y550 L555 L556 C557 L1003	V546-L553 HydrophobicContact CG1-CD2 3.68Å; Y550-L553 PolarHBondContact O-N 3.33Å; L553-L555 VanDerWaalsContact C-N 3.31Å; L553-L555 PolarHBondContact O-N 2.69Å; L553-L556 PolarHBondContact O-N 3.26Å; L553-C557 PolarHBondContact O-N 3.09Å; L553-C557 PolarHBondContact O-SG 3.15Å; L553-L1003 HydrophobicContact CB-CD2 4.43Å; L553-L1003 HydrophobicContact CD1-CD2 4.15Å
554	A	90.1	Very high	85	Confident	49 Å²	49	61.8 Å²	61.8	41%	0.405	35%	0.348	S	S	.	.	H	α-helix	trans	-60.9	-40.3	178.4	0	0	0	0	0	111.9	Y550 V551 C557 A558	Y550-A554 HydrophobicContact CD2-CB 4.23Å; Y550-A554 VanDerWaalsContact O-CB 3.29Å; Y550-A554 WeakPolarHBondContact O-CB 3.41Å; Y550-A554 PolarHBondContact O-N 3.17Å; V551-A554 PolarHBondContact O-N 3.26Å; A554-C557 PolarHBondContact O-N 3Å; A554-A558 WeakPolarHBondContact O-CB 3.32Å; A554-A558 PolarHBondContact O-N 3.43Å
555	L	90	Very high	86.6	Confident	33 Å²	33	62.8 Å²	62.8	17%	0.173	35%	0.346	C	S	.	.	H	α-helix	trans	-64.2	-45.6	175.6	-177.4	65.3	0	0	0	112	V551 V552 L553 A558 F559 M769 W1017 V1018 L1021	V551-L555 PolarHBondContact O-N 3.2Å; V551-L555 VanDerWaalsContact O-N 3.09Å; V552-L555 PolarHBondContact O-N 3.27Å; L553-L555 VanDerWaalsContact C-N 3.31Å; L553-L555 PolarHBondContact O-N 2.69Å; L555-A558 WeakPolarHBondContact O-CB 3.43Å; L555-A558 PolarHBondContact O-N 3.5Å; L555-F559 HydrophobicContact CD1-CD2 4.19Å; L555-F559 HydrophobicContact CD1-CE1 4.4Å; L555-F559 HydrophobicContact CD1-CE2 3.54Å; L555-F559 HydrophobicContact CD1-CZ 3.67Å; L555-F559 HydrophobicContact CD2-CE2 3.9Å; L555-F559 HydrophobicContact CG-CD2 3.95Å; L555-F559 HydrophobicContact CG-CE2 3.47Å; L555-F559 VanDerWaalsContact CG-CE2 3.47Å; L555-F559 HydrophobicContact CG-CZ 4.14Å; L555-F559 WeakPolarHBondContact O-CD2 3.26Å; L555-F559 PolarHBondContact O-N 3.43Å; L555-M769 HydrophobicContact CD2-CE 3.64Å; L555-M769 HydrophobicContact CG-CE 4.1Å; L555-W1017 HydrophobicContact CD2-CH2 4.36Å; L555-W1017 HydrophobicContact CD2-CZ3 4.05Å; L555-V1018 HydrophobicContact CD2-CG1 4.29Å; L555-V1018 HydrophobicContact CD2-CG2 3.83Å; L555-L1021 HydrophobicContact CD2-CD2 3.79Å
556	L	91.8	Very high	87.8	Confident	5 Å²	5	62.6 Å²	62.6	3%	0.026	35%	0.345	C	S	.	.	H	α-helix	trans	-61.3	-44.4	175.6	-75	167.5	0	0	0	111.3	V552 L553 A558 F559 Y560 L766 M769 T999 L1003	V552-L556 HydrophobicContact CG1-CD1 4.22Å; V552-L556 WeakPolarHBondContact O-CG 3.47Å; V552-L556 PolarHBondContact O-N 3.43Å; L553-L556 PolarHBondContact O-N 3.26Å; L556-A558 VanDerWaalsContact C-N 3.31Å; L556-A558 PolarHBondContact O-N 3.11Å; L556-F559 PolarHBondContact O-N 3.48Å; L556-Y560 VanDerWaalsContact O-CD2 3.22Å; L556-Y560 WeakPolarHBondContact O-CD2 3.33Å; L556-Y560 PolarHBondContact O-N 2.71Å; L556-L766 HydrophobicContact CD2-CD2 3.48Å; L556-L766 VanDerWaalsContact CD2-CD2 3.48Å; L556-M769 HydrophobicContact CD2-CE 3.99Å; L556-M769 HydrophobicContact CG-CE 4.39Å; L556-T999 HydrophobicContact CD1-CG2 4.12Å; L556-T999 HydrophobicContact CD2-CG2 4.34Å; L556-L1003 HydrophobicContact CD1-CD1 4.28Å; L556-L1003 HydrophobicContact CD1-CD2 3.49Å; L556-L1003 VanDerWaalsContact CD1-CD2 3.49Å; L556-L1003 HydrophobicContact CD1-CG 3.57Å
557	C	92.2	Very high	88.8	Confident	78 Å²	78	62.8 Å²	62.8	53%	0.527	35%	0.345	S	S	.	.	H	α-helix	trans	-58.5	-41.9	174.2	-70.7	0	0	0	0	112.1	L553 A554 Y560 G561	L553-C557 PolarHBondContact O-N 3.09Å; L553-C557 PolarHBondContact O-SG 3.15Å; A554-C557 PolarHBondContact O-N 3Å; C557-Y560 PolarHBondContact O-N 3.15Å; C557-G561 PolarHBondContact O-N 2.92Å
558	A	93.1	Very high	89.9	Confident	60 Å²	60	61.8 Å²	61.8	50%	0.496	34%	0.339	S	S	.	.	H	α-helix	trans	-63.1	-44.3	176.6	0	0	0	0	0	111.9	A554 L555 L556 G561 L562	A554-A558 WeakPolarHBondContact O-CB 3.32Å; A554-A558 PolarHBondContact O-N 3.43Å; L555-A558 WeakPolarHBondContact O-CB 3.43Å; L555-A558 PolarHBondContact O-N 3.5Å; L556-A558 VanDerWaalsContact C-N 3.31Å; L556-A558 PolarHBondContact O-N 3.11Å; A558-G561 PolarHBondContact O-N 3.37Å; A558-L562 WeakPolarHBondContact O-CB 3.38Å; A558-L562 PolarHBondContact O-N 2.9Å
559	F	92.6	Very high	91	Very high	38 Å²	38	60.5 Å²	60.5	17%	0.167	33%	0.327	C	S	.	.	H	α-helix	trans	-65.9	-42	176.9	-70	-41.8	0	0	0	112.8	L555 L556 L562 Y563 M762 L765 M769 L1021	L555-F559 HydrophobicContact CD1-CD2 4.19Å; L555-F559 HydrophobicContact CD1-CE1 4.4Å; L555-F559 HydrophobicContact CD1-CE2 3.54Å; L555-F559 HydrophobicContact CD1-CZ 3.67Å; L555-F559 HydrophobicContact CD2-CE2 3.9Å; L555-F559 HydrophobicContact CG-CD2 3.95Å; L555-F559 HydrophobicContact CG-CE2 3.47Å; L555-F559 VanDerWaalsContact CG-CE2 3.47Å; L555-F559 HydrophobicContact CG-CZ 4.14Å; L555-F559 WeakPolarHBondContact O-CD2 3.26Å; L555-F559 PolarHBondContact O-N 3.43Å; L556-F559 PolarHBondContact O-N 3.48Å; F559-L562 PolarHBondContact O-N 3.15Å; F559-Y563 VanDerWaalsContact O-CB 3.28Å; F559-Y563 WeakPolarHBondContact O-CB 3.4Å; F559-Y563 PolarHBondContact O-N 3.36Å; F559-M762 HydrophobicContact CB-CE 3.82Å; F559-M762 HydrophobicContact CB-SD 4.19Å; F559-L765 HydrophobicContact CB-CD2 4.46Å; F559-L765 HydrophobicContact CD1-CD1 4.1Å; F559-L765 HydrophobicContact CD1-CD2 4.17Å; F559-L765 HydrophobicContact CD2-CD2 3.47Å; F559-L765 VanDerWaalsContact CD2-CD2 3.47Å; F559-L765 HydrophobicContact CE1-CD1 3.89Å; F559-L765 HydrophobicContact CE1-CD2 4.25Å; F559-L765 HydrophobicContact CE2-CD2 3.56Å; F559-L765 HydrophobicContact CG-CD2 3.8Å; F559-L765 HydrophobicContact CZ-CD1 4.12Å; F559-L765 HydrophobicContact CZ-CD2 3.96Å; F559-M769 HydrophobicContact CD2-CE 4.02Å; F559-M769 HydrophobicContact CD2-SD 3.68Å; F559-M769 HydrophobicContact CE2-CE 3.78Å; F559-M769 HydrophobicContact CE2-SD 3.47Å; F559-M769 WeakPolarHBondContact CE2-SD 3.24Å; F559-L1021 HydrophobicContact CE2-CD2 4.47Å
560	Y	94.1	Very high	91.8	Very high	80 Å²	80	60.2 Å²	60.2	31%	0.314	33%	0.326	S	S	.	.	H	α-helix	trans	-65.2	-38.9	174.7	-83.1	-69.2	0	0	0	112.4	L556 C557 Y563 L564 M762 T999	L556-Y560 VanDerWaalsContact O-CD2 3.22Å; L556-Y560 WeakPolarHBondContact O-CD2 3.33Å; L556-Y560 PolarHBondContact O-N 2.71Å; C557-Y560 PolarHBondContact O-N 3.15Å; Y560-Y563 WeakPolarHBondContact O-CB 3.43Å; Y560-Y563 PolarHBondContact O-N 3.09Å; Y560-L564 WeakPolarHBondContact O-CG 3.32Å; Y560-L564 PolarHBondContact O-N 3.05Å; Y560-M762 HydrophobicContact CD1-CE 3.73Å; Y560-M762 HydrophobicContact CD2-CE 4.1Å; Y560-M762 HydrophobicContact CE1-CE 3.85Å; Y560-M762 HydrophobicContact CE2-CE 4.19Å; Y560-M762 HydrophobicContact CG-CE 3.86Å; Y560-T999 HydrophobicContact CE2-CG2 4.16Å; Y560-T999 PolarHBondContact OH-OG1 3.06Å
561	G	94.3	Very high	92	Very high	34 Å²	34	57.4 Å²	57.4	35%	0.351	32%	0.324	S	S	.	.	H	α-helix	trans	-62	-47.6	173.7	0	0	0	0	0	112.3	C557 A558 Y563 L564 V565	C557-G561 PolarHBondContact O-N 2.92Å; A558-G561 PolarHBondContact O-N 3.37Å; G561-Y563 VanDerWaalsContact C-N 3.32Å; G561-Y563 PolarHBondContact O-N 3.13Å; G561-L564 PolarHBondContact O-N 3.01Å; G561-V565 WeakPolarHBondContact O-CG2 2.95Å; G561-V565 PolarHBondContact O-N 2.95Å; G561-V565 VanDerWaalsContact O-N 3.16Å
562	L	92.7	Very high	92.1	Very high	106 Å²	106	63.1 Å²	63.1	56%	0.555	34%	0.344	S	S	*	.	H	α-helix	trans	-61.6	-40.6	175.5	-177.6	64.8	0	0	0	111.7	A558 F559 V565 T566	A558-L562 WeakPolarHBondContact O-CB 3.38Å; A558-L562 PolarHBondContact O-N 2.9Å; F559-L562 PolarHBondContact O-N 3.15Å; L562-V565 PolarHBondContact O-N 2.75Å; L562-T566 HydrophobicContact CD1-CG2 4.16Å; L562-T566 HydrophobicContact CG-CG2 4.39Å; L562-T566 WeakPolarHBondContact O-CB 3.36Å; L562-T566 WeakPolarHBondContact O-CG2 3.36Å; L562-T566 PolarHBondContact O-N 3.32Å; L562-T566 PolarHBondContact O-OG1 2.93Å
563	Y	94.5	Very high	92.1	Very high	42 Å²	42	63.9 Å²	63.9	17%	0.165	35%	0.35	C	S	.	.	H	α-helix	trans	-59.6	-46.1	175.6	168.9	-110.2	0	0	0	111.8	F559 Y560 G561 V565 T566 L567 V758 S759 M762	F559-Y563 VanDerWaalsContact O-CB 3.28Å; F559-Y563 WeakPolarHBondContact O-CB 3.4Å; F559-Y563 PolarHBondContact O-N 3.36Å; Y560-Y563 WeakPolarHBondContact O-CB 3.43Å; Y560-Y563 PolarHBondContact O-N 3.09Å; G561-Y563 VanDerWaalsContact C-N 3.32Å; G561-Y563 PolarHBondContact O-N 3.13Å; Y563-V565 PolarHBondContact O-N 2.69Å; Y563-T566 WeakPolarHBondContact CA-OG1 3.47Å; Y563-T566 PolarHBondContact O-N 3.47Å; Y563-T566 PolarHBondContact O-OG1 2.95Å; Y563-T566 VanDerWaalsContact O-OG1 3.07Å; Y563-L567 HydrophobicContact CE1-CD2 4.1Å; Y563-L567 HydrophobicContact CE2-CB 4.33Å; Y563-L567 HydrophobicContact CE2-CD1 4.32Å; Y563-L567 HydrophobicContact CE2-CD2 4.42Å; Y563-L567 WeakPolarHBondContact O-CB 3.36Å; Y563-L567 PolarHBondContact O-N 2.91Å; Y563-V758 HydrophobicContact CD2-CG1 3.69Å; Y563-V758 HydrophobicContact CE2-CG1 3.86Å; Y563-S759 PolarHBondContact OH-OG 3.09Å; Y563-M762 HydrophobicContact CD2-CB 3.75Å; Y563-M762 HydrophobicContact CD2-CG 4.01Å; Y563-M762 HydrophobicContact CE2-CB 4.21Å; Y563-M762 HydrophobicContact CG-CB 4.26Å; Y563-M762 HydrophobicContact CG-CG 4.01Å; Y563-M762 HydrophobicContact CG-SD 4.43Å
564	L	94.2	Very high	92	Very high	102 Å²	102	62.3 Å²	62.3	53%	0.534	34%	0.342	S	S	.	.	H	α-helix	trans	-62.2	-45.3	178.3	-70.2	174.7	0	0	0	112.2	Y560 G561 L567 L568	Y560-L564 WeakPolarHBondContact O-CG 3.32Å; Y560-L564 PolarHBondContact O-N 3.05Å; G561-L564 PolarHBondContact O-N 3.01Å; L564-L567 PolarHBondContact O-N 3.34Å; L564-L568 WeakPolarHBondContact O-CB 3.34Å; L564-L568 VanDerWaalsContact O-CG 3.28Å; L564-L568 WeakPolarHBondContact O-CG 3.4Å; L564-L568 PolarHBondContact O-N 2.97Å
565	V	94.4	Very high	91.6	Very high	98 Å²	98	69.9 Å²	69.9	59%	0.594	36%	0.36	S	S	*	.	H	α-helix	trans	-61.2	-47.7	178.2	173.6	0	0	0	0	110.9	G561 L562 Y563 L568 W569	G561-V565 WeakPolarHBondContact O-CG2 2.95Å; G561-V565 PolarHBondContact O-N 2.95Å; G561-V565 VanDerWaalsContact O-N 3.16Å; L562-V565 PolarHBondContact O-N 2.75Å; Y563-V565 PolarHBondContact O-N 2.69Å; V565-L568 PolarHBondContact O-N 3.37Å; V565-W569 PolarHBondContact O-N 3.2Å; V565-W569 VanDerWaalsContact O-N 3.12Å
566	T	92	Very high	91.1	Very high	46 Å²	46	74.9 Å²	74.9	28%	0.282	38%	0.377	S	S	.	.	H	α-helix	trans	-70.4	-33.4	-179.3	53.8	0	0	0	0	112.5	L562 Y563 A570 V758	L562-T566 HydrophobicContact CD1-CG2 4.16Å; L562-T566 HydrophobicContact CG-CG2 4.39Å; L562-T566 WeakPolarHBondContact O-CB 3.36Å; L562-T566 WeakPolarHBondContact O-CG2 3.36Å; L562-T566 PolarHBondContact O-N 3.32Å; L562-T566 PolarHBondContact O-OG1 2.93Å; Y563-T566 WeakPolarHBondContact CA-OG1 3.47Å; Y563-T566 PolarHBondContact O-N 3.47Å; Y563-T566 PolarHBondContact O-OG1 2.95Å; Y563-T566 VanDerWaalsContact O-OG1 3.07Å; T566-A570 WeakPolarHBondContact O-CB 3.25Å; T566-A570 PolarHBondContact O-N 3.3Å; T566-V758 WeakPolarHBondContact OG1-CG1 3.05Å
567	L	93.4	Very high	90.3	Very high	35 Å²	35	75.6 Å²	75.6	18%	0.183	38%	0.383	C	S	.	.	H	α-helix	trans	-67.2	-44	174.8	-176.2	70.8	0	0	0	111.4	Y563 L564 W569 A570 C571 A755 V758	Y563-L567 HydrophobicContact CE1-CD2 4.1Å; Y563-L567 HydrophobicContact CE2-CB 4.33Å; Y563-L567 HydrophobicContact CE2-CD1 4.32Å; Y563-L567 HydrophobicContact CE2-CD2 4.42Å; Y563-L567 WeakPolarHBondContact O-CB 3.36Å; Y563-L567 PolarHBondContact O-N 2.91Å; L564-L567 PolarHBondContact O-N 3.34Å; L567-W569 PolarHBondContact O-N 3.3Å; L567-A570 PolarHBondContact O-N 3.46Å; L567-C571 WeakPolarHBondContact O-CB 3.43Å; L567-C571 PolarHBondContact O-N 2.95Å; L567-C571 PolarHBondContact O-SG 3.47Å; L567-A755 HydrophobicContact CD1-CB 3.87Å; L567-V758 HydrophobicContact CB-CG1 4.47Å
568	L	93.1	Very high	89.3	Confident	129 Å²	129	75.5 Å²	75.5	68%	0.675	38%	0.383	S	S	*	.	H	α-helix	trans	-60.3	-46.1	175.7	-73.7	171.8	0	0	0	111.2	L564 V565 C571 Y572	L564-L568 WeakPolarHBondContact O-CB 3.34Å; L564-L568 VanDerWaalsContact O-CG 3.28Å; L564-L568 WeakPolarHBondContact O-CG 3.4Å; L564-L568 PolarHBondContact O-N 2.97Å; V565-L568 PolarHBondContact O-N 3.37Å; L568-C571 PolarHBondContact O-N 2.85Å; L568-Y572 PolarHBondContact O-N 3.42Å
569	W	94.5	Very high	88.1	Confident	122 Å²	122	76.3 Å²	76.3	46%	0.462	39%	0.385	S	S	.	.	H	α-helix	trans	-60.9	-44.1	173.6	174.6	84.3	0	0	0	112	V565 L567 Y572 A573 I743	V565-W569 PolarHBondContact O-N 3.2Å; V565-W569 VanDerWaalsContact O-N 3.12Å; L567-W569 PolarHBondContact O-N 3.3Å; W569-Y572 PolarHBondContact O-N 3.48Å; W569-A573 HydrophobicContact CZ2-CB 4.48Å; W569-A573 VanDerWaalsContact O-CB 3.3Å; W569-A573 WeakPolarHBondContact O-CB 3.31Å; W569-A573 PolarHBondContact O-N 3.36Å; W569-I743 HydrophobicContact CZ3-CG2 3.95Å
570	A	91.6	Very high	86.9	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-63.8	-43.7	180	0	0	0	0	0	112.1	T566 L567 Y572 A573 D574 R754 A755 V758	T566-A570 WeakPolarHBondContact O-CB 3.25Å; T566-A570 PolarHBondContact O-N 3.3Å; L567-A570 PolarHBondContact O-N 3.46Å; A570-Y572 PolarHBondContact O-N 3.39Å; A570-A573 PolarHBondContact O-N 3.4Å; A570-D574 WeakPolarHBondContact O-CB 3.34Å; A570-D574 PolarHBondContact O-N 3.27Å; A570-R754 HydrophobicContact CB-CB 3.76Å; A570-A755 HydrophobicContact CB-CB 4.49Å; A570-V758 HydrophobicContact CB-CG2 3.95Å
571	C	90.3	Very high	85.8	Confident	66 Å²	66	76.6 Å²	76.6	45%	0.446	39%	0.387	S	S	.	.	H	α-helix	trans	-60.5	-43.7	174.4	-73.4	0	0	0	0	111.9	L567 L568 R575	L567-C571 WeakPolarHBondContact O-CB 3.43Å; L567-C571 PolarHBondContact O-N 2.95Å; L567-C571 PolarHBondContact O-SG 3.47Å; L568-C571 PolarHBondContact O-N 2.85Å; C571-R575 PolarHBondContact O-N 3.33Å; C571-R575 VanDerWaalsContact O-N 3.11Å
572	Y	89.3	Confident	84.9	Confident	144 Å²	144	78.9 Å²	78.9	57%	0.565	39%	0.387	S	S	*	.	H	α-helix	trans	-62.1	-47	174.4	172.2	-96.9	0	0	0	111.7	L568 W569 A570 R575 R576	L568-Y572 PolarHBondContact O-N 3.42Å; W569-Y572 PolarHBondContact O-N 3.48Å; A570-Y572 PolarHBondContact O-N 3.39Å; Y572-R575 PolarHBondContact O-N 3.41Å; Y572-R576 PolarHBondContact O-N 2.9Å; Y572-R576 VanDerWaalsContact O-N 3.08Å
573	A	86.9	Confident	84.5	Confident	16 Å²	16	74 Å²	74	13%	0.132	36%	0.361	C	S	.	.	H	α-helix	trans	-65.7	-39.7	-179.7	0	0	0	0	0	112.6	W569 A570 R576 A577	W569-A573 HydrophobicContact CZ2-CB 4.48Å; W569-A573 VanDerWaalsContact O-CB 3.3Å; W569-A573 WeakPolarHBondContact O-CB 3.31Å; W569-A573 PolarHBondContact O-N 3.36Å; A570-A573 PolarHBondContact O-N 3.4Å; A573-R576 PolarHBondContact O-N 3.41Å; A573-A577 WeakPolarHBondContact O-CB 3.48Å; A573-A577 PolarHBondContact O-N 3.21Å
574	D	86.8	Confident	84.2	Confident	25 Å²	25	72.2 Å²	72.2	13%	0.134	36%	0.355	C	S	.	.	H	α-helix	trans	-63.9	-42.8	175.6	-80	-31	0	0	0	111.3	A570 R576 A577 S578 T753 R754 A755	A570-D574 WeakPolarHBondContact O-CB 3.34Å; A570-D574 PolarHBondContact O-N 3.27Å; D574-R576 PolarHBondContact O-N 2.71Å; D574-A577 PolarHBondContact O-N 3.14Å; D574-S578 PolarHBondContact O-N 3.35Å; D574-T753 WeakPolarHBondContact OD2-CB 3.37Å; D574-R754 VanDerWaalsContact CG-N 3.35Å; D574-R754 WeakPolarHBondContact OD1-CB 3.43Å; D574-R754 WeakPolarHBondContact OD1-CD 3.27Å; D574-R754 WeakPolarHBondContact OD1-CG 3.22Å; D574-R754 PolarHBondContact OD1-N 2.82Å; D574-R754 IonicContact OD1-NE 3.37Å; D574-R754 WeakPolarHBondContact OD2-CA 3.33Å; D574-R754 WeakPolarHBondContact OD2-CB 3.31Å; D574-R754 PolarHBondContact OD2-N 2.92Å; D574-A755 PolarHBondContact OD2-N 2.69Å
575	R	81.4	Confident	84	Confident	209 Å²	209	68 Å²	68	79%	0.789	33%	0.333	S	S	*	.	H	α-helix	trans	-60.2	-45.5	175.6	-168.9	173	-178.6	173	-0.6	111.1	C571 Y572 A577 S578	C571-R575 PolarHBondContact O-N 3.33Å; C571-R575 VanDerWaalsContact O-N 3.11Å; Y572-R575 PolarHBondContact O-N 3.41Å; R575-A577 PolarHBondContact O-N 3.36Å; R575-S578 PolarHBondContact O-N 2Å; R575-S578 PolarHBondContact O-OG 2.96Å
576	R	79.2	Confident	83.8	Confident	138 Å²	138	63.3 Å²	63.3	52%	0.521	30%	0.304	S	S	.	.	H	α-helix	trans	-67.6	-32	176.3	-171.2	172.4	-177.4	166.9	-2.3	113.3	Y572 A573 D574 S579	Y572-R576 PolarHBondContact O-N 2.9Å; Y572-R576 VanDerWaalsContact O-N 3.08Å; A573-R576 PolarHBondContact O-N 3.41Å; D574-R576 PolarHBondContact O-N 2.71Å; R576-S579 PolarHBondContact O-OG 2.9Å
577	A	75.9	Confident	83.5	Confident	19 Å²	19	67.2 Å²	67.2	16%	0.157	32%	0.32	C	S	.	.	H	α-helix	trans	-72.8	-36.3	176.7	0	0	0	0	0	111.8	A573 D574 R575 S579 K580 R581	A573-A577 WeakPolarHBondContact O-CB 3.48Å; A573-A577 PolarHBondContact O-N 3.21Å; D574-A577 PolarHBondContact O-N 3.14Å; R575-A577 PolarHBondContact O-N 3.36Å; A577-S579 VanDerWaalsContact C-N 3.31Å; A577-S579 PolarHBondContact O-N 2.93Å; A577-K580 PolarHBondContact O-N 3.46Å; A577-K580 VanDerWaalsContact O-N 3.13Å; A577-R581 WeakPolarHBondContact O-CG 3.33Å; A577-R581 PolarHBondContact O-N 3.05Å
578	S	70.8	Confident	83.1	Confident	76 Å²	76	68.8 Å²	68.8	53%	0.531	33%	0.328	S	S	.	.	H	α-helix	trans	-60.3	-37.3	-179.3	72.2	0	0	0	0	113.2	D574 R575 K580 R581	D574-S578 PolarHBondContact O-N 3.35Å; R575-S578 PolarHBondContact O-N 2Å; R575-S578 PolarHBondContact O-OG 2.96Å; S578-K580 VanDerWaalsContact C-N 3.35Å; S578-K580 PolarHBondContact O-N 2.93Å; S578-R581 PolarHBondContact O-N 3.41Å
579	S	67.6	Low	83	Confident	77 Å²	77	62.8 Å²	62.8	54%	0.538	30%	0.297	S	S	.	.	H	α-helix	trans	-69.7	-29.8	176.3	59	0	0	0	0	113.1	R576 A577 R581	R576-S579 PolarHBondContact O-OG 2.9Å; A577-S579 VanDerWaalsContact C-N 3.31Å; A577-S579 PolarHBondContact O-N 2.93Å; S579-R581 VanDerWaalsContact C-N 3.34Å; S579-R581 PolarHBondContact O-N 3.44Å
580	K	67.8	Low	82.7	Confident	61 Å²	61	58.1 Å²	58.1	27%	0.265	28%	0.28	S	S	.	.	H	α-helix	trans	-76.3	-15.9	180	-67.2	-174.7	169.8	-161.4	0	114.2	A577 S578 K636 E640	A577-K580 PolarHBondContact O-N 3.46Å; A577-K580 VanDerWaalsContact O-N 3.13Å; S578-K580 VanDerWaalsContact C-N 3.35Å; S578-K580 PolarHBondContact O-N 2.93Å; K580-K636 WeakPolarHBondContact O-CD 3.13Å; K580-K636 PolarHBondContact O-NZ 3.37Å; K580-E640 IonicContact NZ-OE1 2.93Å; K580-E640 PolarHBondContact NZ-OE1 2.92Å; K580-E640 IonicContact NZ-OE2 2.91Å; K580-E640 PolarHBondContact NZ-OE2 2.98Å
581	R	69.9	Low	82.5	Confident	64 Å²	64	60 Å²	60	24%	0.242	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-7.3	-172.4	-70.1	170.8	-170	-152.7	-11.5	115.1	A577 S578 S579 S748 R749 S750	A577-R581 WeakPolarHBondContact O-CG 3.33Å; A577-R581 PolarHBondContact O-N 3.05Å; S578-R581 PolarHBondContact O-N 3.41Å; S579-R581 VanDerWaalsContact C-N 3.34Å; S579-R581 PolarHBondContact O-N 3.44Å; R581-S748 WeakPolarHBondContact CD-O 3.49Å; R581-S748 WeakPolarHBondContact CG-O 3.18Å; R581-S748 PolarHBondContact NE-O 3.45Å; R581-S748 PolarHBondContact NH2-O 2.75Å; R581-R749 PolarHBondContact O-NH2 3Å; R581-S750 PolarHBondContact NH1-O 2.89Å; R581-S750 VanDerWaalsContact NH1-O 3.16Å
582	K	75.8	Confident	82.3	Confident	81 Å²	81	56.8 Å²	56.8	35%	0.352	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-58.2	137.5	-179.4	-172	178.1	171.8	-172	0	111.1	E635 K636	K582-E635 WeakPolarHBondContact CD-OE2 3.44Å; K582-E635 IonicContact NZ-OE1 3.69Å; K582-E635 PolarHBondContact NZ-OE1 3.26Å; K582-E635 IonicContact NZ-OE2 3.82Å; K582-E635 PolarHBondContact NZ-OE2 3.43Å; K582-K636 PolarHBondContact O-NZ 2.95Å
583	I	85.4	Confident	82.3	Confident	4 Å²	4	50 Å²	50	2%	0.021	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-75.1	126.3	167.3	-62.8	174.5	0	0	0	107.2	L598 M646 E1058 A1059 V1062	I583-L598 HydrophobicContact CD1-CD1 4.41Å; I583-L598 HydrophobicContact CG2-CD1 3.86Å; I583-M646 HydrophobicContact CG1-CB 4.17Å; I583-M646 HydrophobicContact CG2-CB 4.39Å; I583-E1058 HydrophobicContact CD1-CB 3.68Å; I583-E1058 HydrophobicContact CG1-CB 4.31Å; I583-A1059 HydrophobicContact CD1-CB 4.19Å; I583-V1062 HydrophobicContact CB-CG2 3.84Å; I583-V1062 HydrophobicContact CG2-CB 4.49Å; I583-V1062 HydrophobicContact CG2-CG1 4.46Å; I583-V1062 HydrophobicContact CG2-CG2 4.01Å
584	T	88.6	Confident	82.3	Confident	5 Å²	5	50.2 Å²	50.2	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	120.7	-176.8	-47.9	0	0	0	0	109.5	L586 T632 D633 M646 F647 L648	T584-L586 PolarHBondContact O-N 3.38Å; T584-T632 WeakPolarHBondContact CG2-O 3.28Å; T584-D633 WeakPolarHBondContact CB-OD2 3.36Å; T584-D633 HydrophobicContact CG2-CB 3.69Å; T584-D633 VanDerWaalsContact CG2-OD2 3.24Å; T584-D633 WeakPolarHBondContact CG2-OD2 3.43Å; T584-D633 PolarHBondContact OG1-OD2 3.08Å; T584-M646 PolarHBondContact N-O 3.14Å; T584-F647 HydrophobicContact CG2-CD1 4.03Å; T584-F647 HydrophobicContact CG2-CE1 4.24Å; T584-F647 CarbonylContact O-C 3.28Å; T584-F647 WeakPolarHBondContact O-CA 3.48Å; T584-L648 PolarHBondContact O-N 2.85Å
585	L	89.3	Confident	82.4	Confident	12 Å²	12	49.1 Å²	49.1	6%	0.063	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	115.8	166.1	-179.1	56.9	0	0	0	108	E587 L648 V1062 E1065 Q1066	L585-E587 PolarHBondContact O-N 2.99Å; L585-L648 HydrophobicContact CD1-CB 4.19Å; L585-L648 HydrophobicContact CD1-CD2 3.91Å; L585-L648 HydrophobicContact CD1-CG 4.39Å; L585-V1062 HydrophobicContact CB-CG1 3.81Å; L585-V1062 HydrophobicContact CD1-CG1 4.14Å; L585-V1062 HydrophobicContact CG-CG1 4.43Å; L585-E1065 HydrophobicContact CD2-CB 4.24Å; L585-E1065 HydrophobicContact CD2-CG 3.88Å; L585-Q1066 HydrophobicContact CD1-CB 4.2Å; L585-Q1066 HydrophobicContact CD2-CB 4.38Å
586	L	90.4	Very high	82.9	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	20%	0.202	C	C	.	.			trans	-60.5	133.6	179.9	-67.2	173.2	0	0	0	110.4	T584 D588 N589 H629 L631 F647 L648 L649 R1069	T584-L586 PolarHBondContact O-N 3.38Å; L586-D588 VanDerWaalsContact C-N 3.32Å; L586-D588 WeakPolarHBondContact CB-OD1 3.22Å; L586-N589 WeakPolarHBondContact O-CB 3.47Å; L586-H629 HydrophobicContact CD1-CB 4.17Å; L586-L631 HydrophobicContact CD1-CD2 3.92Å; L586-L631 HydrophobicContact CD2-CD2 3.77Å; L586-L631 HydrophobicContact CG-CD2 4.47Å; L586-F647 HydrophobicContact CD1-CB 4.33Å; L586-F647 HydrophobicContact CD2-CB 4.07Å; L586-F647 HydrophobicContact CD2-CD1 3.65Å; L586-F647 HydrophobicContact CD2-CG 4.18Å; L586-F647 HydrophobicContact CG-CB 4.1Å; L586-F647 HydrophobicContact CG-CD1 4.5Å; L586-L648 PolarHBondContact N-O 3.38Å; L586-L649 HydrophobicContact CD1-CB 3.93Å; L586-L649 HydrophobicContact CD1-CD1 4.48Å; L586-L649 HydrophobicContact CD1-CG 4.28Å; L586-R1069 PolarHBondContact O-NH1 2.78Å
587	E	84.8	Confident	83.6	Confident	128 Å²	128	33.1 Å²	33.1	60%	0.598	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-27.9	179.3	-65.9	-170.7	165.5	0	0	112.3	L585 N589 P634	L585-E587 PolarHBondContact O-N 2.99Å; E587-N589 PolarHBondContact O-N 3.42Å; E587-P634 WeakPolarHBondContact OE1-CG 3.46Å
588	D	86	Confident	84.4	Confident	67 Å²	67	32.4 Å²	32.4	36%	0.358	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-2.4	178.3	66	5.8	0	0	0	113.9	L586 H590 H629 T630	L586-D588 VanDerWaalsContact C-N 3.32Å; L586-D588 WeakPolarHBondContact CB-OD1 3.22Å; D588-H590 PolarHBondContact O-N 2.73Å; D588-H629 IonicContact OD1-CE1 3.1Å; D588-H629 IonicContact OD1-CG 3.45Å; D588-H629 IonicContact OD1-ND1 2.6Å; D588-H629 PolarHBondContact OD1-ND1 3.1Å; D588-H629 WeakPolarHBondContact OD2-CA 3.45Å; D588-H629 WeakPolarHBondContact OD2-CB 3.39Å; D588-H629 IonicContact OD2-CG 2.62Å; D588-H629 IonicContact OD2-ND1 2.79Å; D588-H629 PolarHBondContact OD2-ND1 2.99Å; D588-T630 PolarHBondContact OD2-N 2.82Å
589	N	89.9	Confident	85.5	Confident	4 Å²	4	28.8 Å²	28.8	2%	0.021	15%	0.145	C	C	.	.	S	Bend	trans	-64.9	124.3	171.7	-79.3	-19.3	0	0	0	110.4	L586 E587 L648 S650	L586-N589 WeakPolarHBondContact O-CB 3.47Å; E587-N589 PolarHBondContact O-N 3.42Å; N589-L648 PolarHBondContact ND2-O 3.25Å; N589-S650 VanDerWaalsContact CB-OG 3.26Å; N589-S650 WeakPolarHBondContact CB-OG 3.32Å; N589-S650 PolarHBondContact ND2-OG 3.1Å; N589-S650 PolarHBondContact OD1-N 3.22Å; N589-S650 PolarHBondContact OD1-OG 3.46Å
590	H	89.3	Confident	86.6	Confident	23 Å²	23	25.1 Å²	25.1	11%	0.106	12%	0.119	C	C	.	.			trans	-64.5	128.6	174.5	-177	-67.8	0	0	0	110.4	D588 G592 T593 L861 F912 Y1073	D588-H590 PolarHBondContact O-N 2.73Å; H590-G592 VanDerWaalsContact C-N 3.29Å; H590-G592 PolarHBondContact ND1-N 2.69Å; H590-G592 PolarHBondContact O-N 3.01Å; H590-G592 VanDerWaalsContact O-N 3.15Å; H590-T593 HydrophobicContact CB-CG2 3.88Å; H590-T593 WeakPolarHBondContact O-CB 3.36Å; H590-T593 PolarHBondContact O-N 3.34Å; H590-T593 PolarHBondContact O-OG1 2.97Å; H590-L861 HydrophobicContact CB-CD1 4.27Å; H590-F912 AromaticContact CE1-CE2 3.7Å; H590-F912 AromaticContact CG-CE2 3.92Å; H590-F912 AromaticContact ND1-CE2 3.48Å; H590-F912 WeakPolarHBondContact ND1-CE2 3.42Å; H590-Y1073 AromaticContact CE1-CE1 3.9Å; H590-Y1073 AromaticContact CE1-CZ 3.71Å
591	P	87.1	Confident	87.8	Confident	39 Å²	39	22.2 Å²	22.2	25%	0.253	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-34.5	-172.9	-27.7	34.8	0	0	0	115.2	T593 C1070 Y1073	P591-T593 VanDerWaalsContact C-N 3.26Å; P591-T593 PolarHBondContact O-N 3.18Å; P591-C1070 VanDerWaalsContact O-CB 3.26Å; P591-C1070 WeakPolarHBondContact O-CB 3.48Å; P591-Y1073 HydrophobicContact CB-CD1 4.15Å; P591-Y1073 HydrophobicContact CB-CD2 3.89Å; P591-Y1073 HydrophobicContact CB-CG 3.62Å; P591-Y1073 HydrophobicContact CG-CD2 3.91Å; P591-Y1073 HydrophobicContact CG-CE2 4.46Å; P591-Y1073 HydrophobicContact CG-CG 4.17Å
592	G	85.9	Confident	88.8	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-2.5	176.6	0	0	0	0	0	116.1	H590 H594 F912	H590-G592 VanDerWaalsContact C-N 3.29Å; H590-G592 PolarHBondContact ND1-N 2.69Å; H590-G592 PolarHBondContact O-N 3.01Å; H590-G592 VanDerWaalsContact O-N 3.15Å; G592-H594 PolarHBondContact O-CD2 3.13Å; G592-H594 VanDerWaalsContact O-CD2 3.28Å; G592-F912 WeakPolarHBondContact O-CD2 3.41Å
593	T	89.4	Confident	89.6	Confident	2 Å²	2	18.1 Å²	18.1	1%	0.012	9%	0.092	C	C	.	.			trans	-89	137	-178.3	57.8	0	0	0	0	111.9	H590 P591 S650 P652 F912 Q1066	H590-T593 HydrophobicContact CB-CG2 3.88Å; H590-T593 WeakPolarHBondContact O-CB 3.36Å; H590-T593 PolarHBondContact O-N 3.34Å; H590-T593 PolarHBondContact O-OG1 2.97Å; P591-T593 VanDerWaalsContact C-N 3.26Å; P591-T593 PolarHBondContact O-N 3.18Å; T593-S650 VanDerWaalsContact OG1-CB 3.25Å; T593-S650 WeakPolarHBondContact OG1-CB 3.25Å; T593-S650 PolarHBondContact OG1-OG 3.08Å; T593-P652 HydrophobicContact CG2-CB 4.22Å; T593-F912 HydrophobicContact CG2-CD2 3.57Å; T593-F912 HydrophobicContact CG2-CE2 3.54Å; T593-Q1066 PolarHBondContact O-NE2 3.35Å
594	H	86.2	Confident	89.7	Confident	20 Å²	20	18.1 Å²	18.1	9%	0.093	9%	0.092	C	C	.	.			trans	-133.6	-4.2	-169.9	-72.5	-73.5	0	0	0	115.2	G592 N596 T651 Q685 Y908 K911 C1070	G592-H594 PolarHBondContact O-CD2 3.13Å; G592-H594 VanDerWaalsContact O-CD2 3.28Å; H594-N596 PolarHBondContact O-ND2 3.39Å; H594-T651 PolarHBondContact N-O 2.7Å; H594-Q685 PolarHBondContact O-NE2 2.99Å; H594-Y908 HydrophobicContact CB-CD1 4.04Å; H594-Y908 HydrophobicContact CB-CE1 4.11Å; H594-Y908 WeakPolarHBondContact O-CE1 3.12Å; H594-K911 HydrophobicContact CB-CD 4.24Å; H594-K911 WeakPolarHBondContact CD2-CE 3.3Å; H594-K911 WeakPolarHBondContact NE2-CE 3.43Å; H594-C1070 PolarHBondContact NE2-SG 2.95Å
595	Y	90.4	Very high	89.5	Confident	2 Å²	2	21.2 Å²	21.2	1%	0.008	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	123.4	170.4	-157.4	-79.8	0	0	0	108.4	Y597 S650 T651 P654 D683 Q685 N686 Y908	Y595-Y597 HydrophobicContact CD1-CD2 4.22Å; Y595-Y597 HydrophobicContact CD1-CE1 4.45Å; Y595-Y597 AromaticContact CD1-CE2 3.5Å; Y595-Y597 HydrophobicContact CD1-CE2 3.5Å; Y595-Y597 AromaticContact CD1-CZ 3.64Å; Y595-Y597 AromaticContact CE1-CE1 3.96Å; Y595-Y597 HydrophobicContact CE1-CE1 3.96Å; Y595-Y597 AromaticContact CE1-CE2 3.83Å; Y595-Y597 HydrophobicContact CE1-CE2 3.83Å; Y595-Y597 AromaticContact CE1-CZ 3.42Å; Y595-Y597 VanDerWaalsContact CE1-CZ 3.42Å; Y595-Y597 VanDerWaalsContact CE1-OH 3.24Å; Y595-Y597 WeakPolarHBondContact CE1-OH 3.04Å; Y595-S650 CarbonylContact O-C 3.43Å; Y595-S650 WeakPolarHBondContact O-CA 3.35Å; Y595-T651 WeakPolarHBondContact CB-O 3.3Å; Y595-T651 PolarHBondContact N-O 2.81Å; Y595-T651 PolarHBondContact O-N 3.35Å; Y595-P654 HydrophobicContact CD2-CB 4.09Å; Y595-P654 HydrophobicContact CD2-CG 4.43Å; Y595-P654 HydrophobicContact CE1-CB 4.15Å; Y595-P654 HydrophobicContact CE2-CB 3.6Å; Y595-P654 HydrophobicContact CE2-CG 4.14Å; Y595-D683 VanDerWaalsContact OH-CG 3.31Å; Y595-D683 PolarHBondContact OH-OD1 3.44Å; Y595-D683 PolarHBondContact OH-OD2 3.08Å; Y595-Q685 HydrophobicContact CD2-CG 4.27Å; Y595-Q685 HydrophobicContact CE2-CB 4.21Å; Y595-Q685 HydrophobicContact CE2-CG 4Å; Y595-N686 PolarHBondContact OH-ND2 3.4Å; Y595-Y908 HydrophobicContact CD2-CD1 4.09Å; Y595-Y908 AromaticContact CD2-CD2 3.53Å; Y595-Y908 HydrophobicContact CD2-CD2 3.53Å; Y595-Y908 HydrophobicContact CD2-CE1 4.13Å; Y595-Y908 AromaticContact CD2-CE2 3.6Å; Y595-Y908 HydrophobicContact CD2-CE2 3.6Å; Y595-Y908 AromaticContact CD2-CG 3.81Å; Y595-Y908 HydrophobicContact CD2-CG 3.81Å; Y595-Y908 AromaticContact CD2-CZ 3.92Å; Y595-Y908 HydrophobicContact CE2-CD2 4.06Å; Y595-Y908 AromaticContact CE2-CE2 3.89Å; Y595-Y908 HydrophobicContact CE2-CE2 3.89Å
596	N	91.8	Very high	89.3	Confident	11 Å²	11	27.2 Å²	27.2	6%	0.059	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	122.7	-160.5	-64.2	-59.9	0	0	0	111.7	H594 L648 S650 L684 Q685 L1063	H594-N596 PolarHBondContact O-ND2 3.39Å; N596-L648 HydrophobicContact CB-CD1 4.05Å; N596-S650 WeakPolarHBondContact OD1-CB 2.86Å; N596-L684 HydrophobicContact CB-CB 4.43Å; N596-L684 HydrophobicContact CB-CD1 3.91Å; N596-L684 PolarHBondContact O-N 3.37Å; N596-L684 VanDerWaalsContact O-N 3.13Å; N596-Q685 VanDerWaalsContact N-OE1 3.17Å; N596-Q685 PolarHBondContact O-OE1 3.12Å; N596-Q685 VanDerWaalsContact O-OE1 3.09Å; N596-L1063 HydrophobicContact CB-CD2 3.87Å; N596-L1063 WeakPolarHBondContact ND2-CD2 3.48Å
597	Y	92.9	Very high	89	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	125.6	174.2	-65.4	-78.8	0	0	0	110.1	Y595 L619 L649 T651 L655 I681 Q682 D683 W690	Y595-Y597 HydrophobicContact CD1-CD2 4.22Å; Y595-Y597 HydrophobicContact CD1-CE1 4.45Å; Y595-Y597 AromaticContact CD1-CE2 3.5Å; Y595-Y597 HydrophobicContact CD1-CE2 3.5Å; Y595-Y597 AromaticContact CD1-CZ 3.64Å; Y595-Y597 AromaticContact CE1-CE1 3.96Å; Y595-Y597 HydrophobicContact CE1-CE1 3.96Å; Y595-Y597 AromaticContact CE1-CE2 3.83Å; Y595-Y597 HydrophobicContact CE1-CE2 3.83Å; Y595-Y597 AromaticContact CE1-CZ 3.42Å; Y595-Y597 VanDerWaalsContact CE1-CZ 3.42Å; Y595-Y597 VanDerWaalsContact CE1-OH 3.24Å; Y595-Y597 WeakPolarHBondContact CE1-OH 3.04Å; Y597-L619 HydrophobicContact CD2-CD1 4.27Å; Y597-L619 HydrophobicContact CG-CD1 4.12Å; Y597-L649 HydrophobicContact CD2-CD2 4.41Å; Y597-L649 PolarHBondContact N-O 3.37Å; Y597-L649 PolarHBondContact O-N 2.99Å; Y597-T651 HydrophobicContact CD2-CG2 4.31Å; Y597-T651 HydrophobicContact CE2-CG2 4.27Å; Y597-L655 HydrophobicContact CD2-CD1 4.49Å; Y597-L655 HydrophobicContact CE2-CD1 3.87Å; Y597-L655 HydrophobicContact CE2-CG 3.84Å; Y597-L655 PolarHBondContact OH-N 2.83Å; Y597-I681 HydrophobicContact CD1-CG2 4.09Å; Y597-Q682 WeakPolarHBondContact CA-O 3.17Å; Y597-D683 HydrophobicContact CD1-CB 4.29Å; Y597-D683 HydrophobicContact CE1-CB 4.08Å; Y597-W690 HydrophobicContact CE1-CZ3 4.48Å
598	L	92.7	Very high	89.2	Confident	4 Å²	4	34 Å²	34	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	113	173.5	-175.1	66.4	0	0	0	109.3	I583 M646 L648 I681 Q682 L684	I583-L598 HydrophobicContact CD1-CD1 4.41Å; I583-L598 HydrophobicContact CG2-CD1 3.86Å; L598-M646 HydrophobicContact CD1-CB 4.48Å; L598-M646 HydrophobicContact CD1-CE 3.93Å; L598-M646 HydrophobicContact CD2-CE 3.39Å; L598-M646 HydrophobicContact CG-CE 3.43Å; L598-M646 VanDerWaalsContact CG-CE 3.43Å; L598-L648 HydrophobicContact CD1-CD1 4.48Å; L598-I681 WeakPolarHBondContact O-CA 3.09Å; L598-Q682 HydrophobicContact CB-CB 4.33Å; L598-Q682 PolarHBondContact N-O 3.39Å; L598-Q682 PolarHBondContact O-N 2.73Å; L598-L684 HydrophobicContact CB-CD1 4.26Å; L598-L684 HydrophobicContact CB-CD2 4.15Å; L598-L684 HydrophobicContact CB-CG 4.24Å; L598-L684 HydrophobicContact CD2-CD2 4.41Å
599	I	93.4	Very high	89.4	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	120	-177.9	-53.5	176.5	0	0	0	108.7	I601 V617 L619 M646 F647 L649 V679 I681	I599-I601 HydrophobicContact CG2-CD1 4.26Å; I599-I601 HydrophobicContact CG2-CG1 3.97Å; I599-V617 HydrophobicContact CD1-CG1 4.15Å; I599-L619 HydrophobicContact CD1-CD1 4.35Å; I599-L619 HydrophobicContact CD1-CD2 4.26Å; I599-M646 CarbonylContact O-C 3.59Å; I599-M646 VanDerWaalsContact O-CA 3.24Å; I599-M646 WeakPolarHBondContact O-CA 3.38Å; I599-F647 PolarHBondContact N-O 2.88Å; I599-F647 PolarHBondContact O-N 3.01Å; I599-L649 HydrophobicContact CD1-CB 3.81Å; I599-L649 HydrophobicContact CD1-CD1 3.64Å; I599-L649 HydrophobicContact CD1-CG 4.38Å; I599-L649 HydrophobicContact CG1-CB 4.41Å; I599-V679 HydrophobicContact CG2-CG1 4.01Å; I599-I681 HydrophobicContact CG1-CG1 4.41Å; I599-I681 HydrophobicContact CG2-CG1 4.4Å
600	G	92.2	Very high	89.6	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	120.8	173.8	0	0	0	0	0	111.8	D645 M646 V679 T680	G600-D645 CarbonylContact C-O 3.5Å; G600-D645 WeakPolarHBondContact CA-O 3.49Å; G600-M646 WeakPolarHBondContact CA-SD 3.24Å; G600-V679 CarbonylContact O-C 3.56Å; G600-V679 VanDerWaalsContact O-CA 3.27Å; G600-V679 WeakPolarHBondContact O-CA 3.26Å; G600-V679 WeakPolarHBondContact O-CG1 3.45Å; G600-T680 PolarHBondContact N-O 2.74Å; G600-T680 PolarHBondContact O-N 2.9Å; G600-T680 PolarHBondContact O-OG1 2.94Å
601	I	92.8	Very high	89.8	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	125.4	-177.6	-60	-173.9	0	0	0	109.4	I599 L631 F639 F644 D645 L663 W674 V676 V679	I599-I601 HydrophobicContact CG2-CD1 4.26Å; I599-I601 HydrophobicContact CG2-CG1 3.97Å; I601-L631 HydrophobicContact CD1-CD1 3.25Å; I601-F639 HydrophobicContact CB-CE1 4.19Å; I601-F639 HydrophobicContact CD1-CE1 3.98Å; I601-F639 HydrophobicContact CD1-CZ 4.46Å; I601-F639 HydrophobicContact CG2-CD1 4.25Å; I601-F639 HydrophobicContact CG2-CE1 4.03Å; I601-F644 WeakPolarHBondContact O-CA 3.36Å; I601-D645 PolarHBondContact N-O 3.23Å; I601-D645 PolarHBondContact O-N 3.05Å; I601-L663 HydrophobicContact CD1-CD2 4.38Å; I601-W674 HydrophobicContact CD1-CH2 4.48Å; I601-W674 HydrophobicContact CG2-CH2 3.74Å; I601-W674 HydrophobicContact CG2-CZ2 3.5Å; I601-W674 VanDerWaalsContact CG2-CZ2 3.5Å; I601-V676 HydrophobicContact CG2-CG1 4.48Å; I601-V679 HydrophobicContact CB-CG2 4.47Å; I601-V679 HydrophobicContact CG1-CG1 4.1Å; I601-V679 HydrophobicContact CG1-CG2 4.01Å; I601-V679 HydrophobicContact CG2-CG2 4.29Å
602	Q	90.6	Very high	90	Very high	59 Å²	59	32 Å²	32	28%	0.276	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	111.5	177.4	-169	177.3	0.8	0	0	110.9	F644 S677 K678	Q602-F644 HydrophobicContact CB-CD2 3.87Å; Q602-F644 HydrophobicContact CB-CE2 4.33Å; Q602-F644 HydrophobicContact CG-CD2 4.3Å; Q602-S677 PolarHBondContact O-N 3.2Å; Q602-K678 HydrophobicContact CB-CB 4.34Å; Q602-K678 WeakPolarHBondContact CB-O 3.41Å; Q602-K678 PolarHBondContact N-O 2.89Å
603	T	92.6	Very high	90.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	141.8	172.5	-55.9	0	0	0	0	110.2	A609 E640 G642 S643 W674	T603-A609 HydrophobicContact CG2-CB 4.43Å; T603-A609 VanDerWaalsContact CG2-O 3.24Å; T603-A609 WeakPolarHBondContact CG2-O 3.24Å; T603-E640 VanDerWaalsContact CB-O 3.29Å; T603-E640 WeakPolarHBondContact CB-O 3.29Å; T603-E640 VanDerWaalsContact CG2-O 3.31Å; T603-E640 WeakPolarHBondContact CG2-O 3.42Å; T603-G642 WeakPolarHBondContact O-CA 3.23Å; T603-S643 PolarHBondContact N-O 3.44Å; T603-S643 PolarHBondContact OG1-OG 3.07Å; T603-W674 PolarHBondContact OG1-NE1 2.97Å
604	G	87.4	Confident	90.6	Very high	3 Å²	3	35.8 Å²	35.8	3%	0.031	18%	0.182	C	C	.	.			trans	-64.9	159.4	-179.7	0	0	0	0	0	114	A609 G642 Y675	G604-A609 WeakPolarHBondContact O-CB 3.37Å; G604-G642 PolarHBondContact O-N 2.89Å; G604-Y675 PolarHBondContact N-O 3.44Å
605	H	83.5	Confident	91	Very high	71 Å²	71	34.9 Å²	34.9	33%	0.329	18%	0.178	S	C	.	.			trans	-91.7	3.4	175.6	-67.6	60.2	0	0	0	112.9	R641 G642 R735 D745	H605-R641 VanDerWaalsContact O-CZ 3.23Å; H605-R641 PolarHBondContact O-NE 3.22Å; H605-R641 PolarHBondContact O-NH2 3.25Å; H605-G642 VanDerWaalsContact CE1-CA 3.46Å; H605-G642 WeakPolarHBondContact CE1-CA 3.08Å; H605-R735 PolarHBondContact NE2-NH1 3.02Å; H605-R735 VanDerWaalsContact NE2-NH1 3.18Å; H605-D745 IonicContact CD2-OD2 3.51Å; H605-D745 IonicContact NE2-OD2 2.79Å
606	R	85	Confident	91.3	Very high	137 Å²	137	36.1 Å²	36.1	52%	0.517	19%	0.185	S	C	.	.	S	Bend	trans	-64.4	152.8	177.7	-62.7	-179.2	179.2	-172	-0.1	110.5	G608 A609 R641 Y675 W697	R606-G608 PolarHBondContact O-N 3.29Å; R606-A609 HydrophobicContact CB-CB 4.21Å; R606-A609 WeakPolarHBondContact O-CB 3.45Å; R606-A609 PolarHBondContact O-N 3.19Å; R606-A609 VanDerWaalsContact O-N 3.12Å; R606-R641 VanDerWaalsContact O-CD 3.29Å; R606-R641 WeakPolarHBondContact O-CD 3.32Å; R606-R641 PolarHBondContact O-NE 2.87Å; R606-Y675 VanDerWaalsContact NH1-CE2 3.28Å; R606-Y675 PolarHBondContact NH2-OH 3.31Å; R606-W697 HydrophobicContact CB-CZ2 4.39Å
607	R	84.9	Confident	91.5	Very high	223 Å²	223	35.6 Å²	35.6	84%	0.842	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	131.8	175.6	-172.5	177.4	178.4	176.6	-1	108.7	A609	R607-A609 VanDerWaalsContact C-N 3.29Å; R607-A609 PolarHBondContact O-N 3.43Å
608	G	88.7	Confident	91.7	Very high	48 Å²	48	37.1 Å²	37.1	50%	0.495	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	15.9	-176.4	0	0	0	0	0	115.1	R606 G610 W697	R606-G608 PolarHBondContact O-N 3.29Å; G608-G610 VanDerWaalsContact C-N 3.33Å; G608-G610 PolarHBondContact O-N 2.93Å; G608-W697 WeakPolarHBondContact O-CZ3 3.47Å
609	A	91.4	Very high	91.9	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.			trans	-73.5	-18.4	-177.3	0	0	0	0	0	115.3	T603 G604 R606 R607 R641 W674 Y675 W697	T603-A609 HydrophobicContact CG2-CB 4.43Å; T603-A609 VanDerWaalsContact CG2-O 3.24Å; T603-A609 WeakPolarHBondContact CG2-O 3.24Å; G604-A609 WeakPolarHBondContact O-CB 3.37Å; R606-A609 HydrophobicContact CB-CB 4.21Å; R606-A609 WeakPolarHBondContact O-CB 3.45Å; R606-A609 PolarHBondContact O-N 3.19Å; R606-A609 VanDerWaalsContact O-N 3.12Å; R607-A609 VanDerWaalsContact C-N 3.29Å; R607-A609 PolarHBondContact O-N 3.43Å; A609-R641 HydrophobicContact CB-CG 4.36Å; A609-W674 VanDerWaalsContact O-CD1 3.24Å; A609-Y675 PolarHBondContact O-N 3.39Å; A609-W697 HydrophobicContact CB-CH2 4.45Å
610	G	92.7	Very high	92	Very high	18 Å²	18	38 Å²	38	19%	0.186	19%	0.194	C	C	.	.			trans	-85.5	155.7	178.8	0	0	0	0	0	111.9	G608 F639 S673	G608-G610 VanDerWaalsContact C-N 3.33Å; G608-G610 PolarHBondContact O-N 2.93Å; G610-F639 CarbonylContact C-O 3.54Å; G610-F639 WeakPolarHBondContact CA-O 3.21Å; G610-S673 VanDerWaalsContact O-O 3.13Å
611	T	94.3	Very high	92.1	Very high	16 Å²	16	38.6 Å²	38.6	10%	0.098	20%	0.199	C	C	.	.			trans	-124	146.7	-175.4	-173.5	0	0	0	0	112.7	A613 V615 F639 H671 P672 W674	T611-A613 WeakPolarHBondContact OG1-CB 3.33Å; T611-A613 PolarHBondContact OG1-N 3.01Å; T611-V615 HydrophobicContact CG2-CG2 4.03Å; T611-F639 HydrophobicContact CG2-CB 3.71Å; T611-F639 HydrophobicContact CG2-CD2 4.4Å; T611-F639 HydrophobicContact CG2-CG 4.32Å; T611-F639 PolarHBondContact N-O 3.38Å; T611-F639 VanDerWaalsContact N-O 3.13Å; T611-H671 WeakPolarHBondContact CA-O 3.44Å; T611-P672 PolarHBondContact OG1-O 3.46Å; T611-W674 HydrophobicContact CG2-CB 3.86Å; T611-W674 HydrophobicContact CG2-CD2 3.94Å; T611-W674 HydrophobicContact CG2-CG 3.52Å
612	S	92.1	Very high	92	Very high	57 Å²	57	41.6 Å²	41.6	40%	0.399	22%	0.218	S	C	.	.			trans	-98.8	-1.5	167.9	61.3	0	0	0	0	113.5	S668 G669 G670 H671	S612-S668 PolarHBondContact OG-O 2.8Å; S612-G669 WeakPolarHBondContact OG-CA 3.47Å; S612-G670 PolarHBondContact OG-N 2.96Å; S612-H671 PolarHBondContact N-O 3.23Å; S612-H671 PolarHBondContact OG-N 3.18Å; S612-H671 PolarHBondContact OG-O 3.11Å
613	A	93.1	Very high	92	Very high	7 Å²	7	42.6 Å²	42.6	6%	0.058	22%	0.223	C	C	.	.	S	Bend	trans	-79.4	154.3	-176.9	0	0	0	0	0	111.4	T611 V615 H665 D666 S668 P672	T611-A613 WeakPolarHBondContact OG1-CB 3.33Å; T611-A613 PolarHBondContact OG1-N 3.01Å; A613-V615 PolarHBondContact O-N 3.25Å; A613-H665 HydrophobicContact CB-CB 3.97Å; A613-D666 WeakPolarHBondContact CB-OD1 3.29Å; A613-S668 VanDerWaalsContact CA-O 3.28Å; A613-S668 WeakPolarHBondContact CA-O 3.35Å; A613-S668 WeakPolarHBondContact CB-O 3.08Å; A613-S668 PolarHBondContact N-O 3.14Å; A613-P672 HydrophobicContact CB-CB 4.12Å
614	N	93.3	Very high	91.8	Very high	76 Å²	76	43 Å²	43	41%	0.406	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-73.5	120.3	173.7	-64.6	-46.6	0	0	0	109.3	T630 H665 D666	N614-T630 HydrophobicContact CB-CG2 4.37Å; N614-H665 VanDerWaalsContact O-CA 3.22Å; N614-H665 WeakPolarHBondContact O-CA 3.48Å; N614-D666 WeakPolarHBondContact CB-OD2 3.34Å; N614-D666 PolarHBondContact N-OD1 3.36Å; N614-D666 PolarHBondContact ND2-OD2 3.25Å; N614-D666 PolarHBondContact O-N 3.22Å; N614-D666 VanDerWaalsContact O-N 3.16Å
615	V	95.6	Very high	92.1	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	134.7	-180	-179.5	0	0	0	0	109.4	T611 A613 L631 F639 Q664 H665 W674	T611-V615 HydrophobicContact CG2-CG2 4.03Å; A613-V615 PolarHBondContact O-N 3.25Å; V615-L631 HydrophobicContact CG1-CD1 4.36Å; V615-L631 PolarHBondContact O-N 3.08Å; V615-F639 HydrophobicContact CB-CD2 4.23Å; V615-F639 HydrophobicContact CB-CE2 3.67Å; V615-F639 HydrophobicContact CB-CZ 4.06Å; V615-F639 HydrophobicContact CG1-CE2 4.41Å; V615-F639 HydrophobicContact CG1-CZ 4.32Å; V615-F639 HydrophobicContact CG2-CD2 3.73Å; V615-F639 HydrophobicContact CG2-CE2 3.72Å; V615-F639 HydrophobicContact CG2-CG 4.38Å; V615-F639 HydrophobicContact CG2-CZ 4.35Å; V615-Q664 CarbonylContact C-O 3.56Å; V615-Q664 WeakPolarHBondContact CA-O 3.43Å; V615-H665 HydrophobicContact CG2-CB 4.3Å; V615-W674 HydrophobicContact CB-CZ3 4.49Å; V615-W674 HydrophobicContact CG1-CE3 4.41Å; V615-W674 HydrophobicContact CG1-CH2 3.85Å; V615-W674 HydrophobicContact CG1-CZ3 3.58Å; V615-W674 HydrophobicContact CG2-CE3 4.11Å; V615-W674 HydrophobicContact CG2-CH2 4.39Å; V615-W674 HydrophobicContact CG2-CZ3 4.02Å
616	T	96.2	Very high	92.6	Very high	27 Å²	27	43.5 Å²	43.5	17%	0.166	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	147	176	58	0	0	0	0	110.9	I628 H629 T630 Q664	T616-I628 HydrophobicContact CG2-CG2 4.19Å; T616-H629 CarbonylContact C-O 3.6Å; T616-H629 WeakPolarHBondContact CA-O 3.08Å; T616-T630 HydrophobicContact CG2-CG2 4.27Å; T616-Q664 PolarHBondContact N-O 3.22Å; T616-Q664 PolarHBondContact O-N 2.8Å; T616-Q664 WeakPolarHBondContact OG1-CB 3.26Å; T616-Q664 PolarHBondContact OG1-O 3.2Å
617	V	96.5	Very high	92.9	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	144.5	-179.5	69.6	0	0	0	0	111.2	I599 L619 I628 H629 L631 L649 L661 R662 L663	I599-V617 HydrophobicContact CD1-CG1 4.15Å; V617-L619 HydrophobicContact CG2-CD2 4.06Å; V617-I628 WeakPolarHBondContact O-CA 3.03Å; V617-H629 HydrophobicContact CG1-CB 4.08Å; V617-H629 PolarHBondContact N-O 3.25Å; V617-H629 PolarHBondContact O-N 2.85Å; V617-L631 HydrophobicContact CB-CD1 4.02Å; V617-L631 HydrophobicContact CB-CG 4.3Å; V617-L631 HydrophobicContact CG1-CD1 3.97Å; V617-L631 HydrophobicContact CG1-CD2 3.64Å; V617-L631 HydrophobicContact CG1-CG 3.85Å; V617-L649 HydrophobicContact CG1-CD1 4.36Å; V617-L661 HydrophobicContact CG2-CD1 3.36Å; V617-R662 CarbonylContact C-O 3.5Å; V617-R662 WeakPolarHBondContact CA-O 3.34Å; V617-L663 HydrophobicContact CB-CD2 4.08Å; V617-L663 HydrophobicContact CG2-CD2 3.81Å
618	K	96.1	Very high	93.3	Very high	32 Å²	32	32.9 Å²	32.9	14%	0.139	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	127.5	168.2	-177.1	176.2	178.7	176.1	0	110.1	E625 S626 I628 R662	K618-E625 WeakPolarHBondContact CE-OE2 3.09Å; K618-E625 IonicContact NZ-OE2 2.95Å; K618-E625 PolarHBondContact NZ-OE2 2.9Å; K618-S626 WeakPolarHBondContact CE-O 3.46Å; K618-S626 WeakPolarHBondContact CG-O 3.5Å; K618-I628 HydrophobicContact CB-CG1 4.39Å; K618-I628 HydrophobicContact CD-CG1 4.2Å; K618-R662 HydrophobicContact CB-CB 4.25Å; K618-R662 PolarHBondContact N-O 3.18Å; K618-R662 PolarHBondContact O-N 3.26Å
619	L	96.4	Very high	93.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	134.4	177.8	-51.7	-169.6	0	0	0	109.6	Y597 I599 V617 E625 S626 L649 L655 L658 L661 I681	Y597-L619 HydrophobicContact CD2-CD1 4.27Å; Y597-L619 HydrophobicContact CG-CD1 4.12Å; I599-L619 HydrophobicContact CD1-CD1 4.35Å; I599-L619 HydrophobicContact CD1-CD2 4.26Å; V617-L619 HydrophobicContact CG2-CD2 4.06Å; L619-E625 CarbonylContact O-C 3.46Å; L619-E625 WeakPolarHBondContact O-CA 3.33Å; L619-S626 PolarHBondContact N-OG 3.21Å; L619-S626 PolarHBondContact O-N 2.96Å; L619-L649 HydrophobicContact CD1-CD1 4.23Å; L619-L649 HydrophobicContact CD1-CD2 4.35Å; L619-L649 HydrophobicContact CG-CD1 4.34Å; L619-L655 HydrophobicContact CB-CD1 3.68Å; L619-L655 HydrophobicContact CD1-CD1 4.23Å; L619-L658 HydrophobicContact CB-CD2 4.25Å; L619-L661 HydrophobicContact CD2-CD1 3.52Å; L619-I681 HydrophobicContact CD1-CD1 4.5Å; L619-I681 HydrophobicContact CD2-CD1 3.41Å; L619-I681 VanDerWaalsContact CD2-CD1 3.41Å
620	I	95.8	Very high	93.7	Very high	23 Å²	23	33.5 Å²	33.5	12%	0.118	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	108.3	-178.6	-59	169.1	0	0	0	108.1	E625 K659 N660	I620-E625 HydrophobicContact CB-CG 4.4Å; I620-E625 HydrophobicContact CG1-CG 4.19Å; I620-E625 HydrophobicContact CG2-CG 4.1Å; I620-K659 PolarHBondContact O-N 3.1Å; I620-N660 HydrophobicContact CB-CB 4.05Å; I620-N660 HydrophobicContact CD1-CB 4.25Å; I620-N660 HydrophobicContact CG2-CB 4.38Å; I620-N660 PolarHBondContact N-O 2.88Å; I620-N660 PolarHBondContact O-N 2.91Å
621	G	94.1	Very high	93.7	Very high	11 Å²	11	32.7 Å²	32.7	11%	0.113	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-175.7	178.7	0	0	0	0	0	113.6	E623 A624 L655 E657	G621-E623 VanDerWaalsContact C-N 3.34Å; G621-A624 WeakPolarHBondContact CA-O 3.35Å; G621-A624 PolarHBondContact N-O 3.47Å; G621-L655 CarbonylContact C-O 3.32Å; G621-L655 VanDerWaalsContact CA-O 3.28Å; G621-L655 WeakPolarHBondContact CA-O 3.48Å; G621-E657 CarbonylContact C-O 3.53Å; G621-E657 VanDerWaalsContact CA-O 3.25Å; G621-E657 WeakPolarHBondContact CA-O 3.18Å
622	T	92.2	Very high	93.5	Very high	63 Å²	63	34.5 Å²	34.5	39%	0.387	20%	0.195	S	C	.	.	S	Bend	trans	-70.6	-30.3	176.5	44.8	0	0	0	0	113.3	L655 E657 K659	T622-L655 PolarHBondContact N-O 2.63Å; T622-E657 HydrophobicContact CG2-CB 3.9Å; T622-E657 PolarHBondContact N-O 2.72Å; T622-E657 PolarHBondContact OG1-N 2.63Å; T622-K659 HydrophobicContact CG2-CD 4.05Å; T622-K659 VanDerWaalsContact CG2-CE 3.47Å; T622-K659 HydrophobicContact CG2-CG 4.21Å
623	E	89.1	Confident	93.3	Very high	81 Å²	81	32.8 Å²	32.8	38%	0.379	18%	0.181	S	C	.	.	S	Bend	trans	-105.9	-35	-170.8	-65.3	177.9	-155.2	0	0	112.1	G621 L655	G621-E623 VanDerWaalsContact C-N 3.34Å; E623-L655 PolarHBondContact N-O 2.01Å; E623-L655 VanDerWaalsContact N-O 3.09Å
624	A	90.4	Very high	92.8	Very high	7 Å²	7	37 Å²	37	6%	0.058	21%	0.208	C	C	.	.			trans	-156.9	172.8	178.4	0	0	0	0	0	112.8	G621 Y653 L655 N865	G621-A624 WeakPolarHBondContact CA-O 3.35Å; G621-A624 PolarHBondContact N-O 3.47Å; A624-Y653 HydrophobicContact CB-CD2 4.21Å; A624-Y653 HydrophobicContact CB-CE2 3.52Å; A624-L655 HydrophobicContact CB-CD2 3.95Å; A624-L655 PolarHBondContact N-O 3.25Å; A624-N865 HydrophobicContact CB-CB 4.18Å
625	E	92.8	Very high	92.1	Very high	82 Å²	82	39.6 Å²	39.6	38%	0.383	22%	0.218	S	C	.	.	B	Isolated β-bridge	trans	-112.9	149.9	172.2	-53.2	-171.5	158.5	0	0	110.2	K618 L619 I620	K618-E625 WeakPolarHBondContact CE-OE2 3.09Å; K618-E625 IonicContact NZ-OE2 2.95Å; K618-E625 PolarHBondContact NZ-OE2 2.9Å; L619-E625 CarbonylContact O-C 3.46Å; L619-E625 WeakPolarHBondContact O-CA 3.33Å; I620-E625 HydrophobicContact CB-CG 4.4Å; I620-E625 HydrophobicContact CG1-CG 4.19Å; I620-E625 HydrophobicContact CG2-CG 4.1Å
626	S	94	Very high	91.6	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.021	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-77.2	164.4	170.4	75.8	0	0	0	0	111.4	K618 L619	K618-S626 WeakPolarHBondContact CE-O 3.46Å; K618-S626 WeakPolarHBondContact CG-O 3.5Å; L619-S626 PolarHBondContact N-OG 3.21Å; L619-S626 PolarHBondContact O-N 2.96Å
627	T	90.9	Very high	91.1	Very high	45 Å²	45	42.8 Å²	42.8	28%	0.276	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-62	166.8	159.4	38	0	0	0	0	111.2	H629 L861 M864	T627-H629 PolarHBondContact O-CD2 2.83Å; T627-H629 PolarHBondContact OG1-NE2 2.96Å; T627-L861 HydrophobicContact CG2-CD2 3.61Å; T627-M864 HydrophobicContact CG2-CE 4.1Å; T627-M864 HydrophobicContact CG2-SD 3.84Å
628	I	93.1	Very high	90.8	Very high	92 Å²	92	44 Å²	44	47%	0.472	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-80.6	122.4	173	-60.1	173	0	0	0	107.1	T616 V617 K618	T616-I628 HydrophobicContact CG2-CG2 4.19Å; V617-I628 WeakPolarHBondContact O-CA 3.03Å; K618-I628 HydrophobicContact CB-CG1 4.39Å; K618-I628 HydrophobicContact CD-CG1 4.2Å
629	H	94.1	Very high	90.6	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.028	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	140.6	178.8	-70	-92.3	0	0	0	110.9	L586 D588 T616 V617 T627 L649	L586-H629 HydrophobicContact CD1-CB 4.17Å; D588-H629 IonicContact OD1-CE1 3.1Å; D588-H629 IonicContact OD1-CG 3.45Å; D588-H629 IonicContact OD1-ND1 2.6Å; D588-H629 PolarHBondContact OD1-ND1 3.1Å; D588-H629 WeakPolarHBondContact OD2-CA 3.45Å; D588-H629 WeakPolarHBondContact OD2-CB 3.39Å; D588-H629 IonicContact OD2-CG 2.62Å; D588-H629 IonicContact OD2-ND1 2.79Å; D588-H629 PolarHBondContact OD2-ND1 2.99Å; T616-H629 CarbonylContact C-O 3.6Å; T616-H629 WeakPolarHBondContact CA-O 3.08Å; V617-H629 HydrophobicContact CG1-CB 4.08Å; V617-H629 PolarHBondContact N-O 3.25Å; V617-H629 PolarHBondContact O-N 2.85Å; T627-H629 PolarHBondContact O-CD2 2.83Å; T627-H629 PolarHBondContact OG1-NE2 2.96Å; H629-L649 HydrophobicContact CB-CD1 4.13Å; H629-L649 VanDerWaalsContact CD2-CD1 3.42Å; H629-L649 WeakPolarHBondContact CD2-CD1 3.4Å
630	T	94.4	Very high	90.3	Very high	55 Å²	55	46.2 Å²	46.2	34%	0.337	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	117.7	176.6	-49.9	0	0	0	0	109.1	D588 N614 T616 T632	D588-T630 PolarHBondContact OD2-N 2.82Å; N614-T630 HydrophobicContact CB-CG2 4.37Å; T616-T630 HydrophobicContact CG2-CG2 4.27Å; T630-T632 HydrophobicContact CG2-CG2 4.04Å; T630-T632 PolarHBondContact O-N 2.69Å
631	L	94	Very high	90	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	97	-175.5	-58.1	-177.5	0	0	0	109.7	L586 I601 V615 V617 F639 F647	L586-L631 HydrophobicContact CD1-CD2 3.92Å; L586-L631 HydrophobicContact CD2-CD2 3.77Å; L586-L631 HydrophobicContact CG-CD2 4.47Å; I601-L631 HydrophobicContact CD1-CD1 3.25Å; V615-L631 HydrophobicContact CG1-CD1 4.36Å; V615-L631 PolarHBondContact O-N 3.08Å; V617-L631 HydrophobicContact CB-CD1 4.02Å; V617-L631 HydrophobicContact CB-CG 4.3Å; V617-L631 HydrophobicContact CG1-CD1 3.97Å; V617-L631 HydrophobicContact CG1-CD2 3.64Å; V617-L631 HydrophobicContact CG1-CG 3.85Å; L631-F639 HydrophobicContact CB-CE2 4.08Å; L631-F639 HydrophobicContact CB-CZ 3.61Å; L631-F639 HydrophobicContact CD1-CZ 4.03Å; L631-F639 WeakPolarHBondContact O-CE2 3.36Å; L631-F647 HydrophobicContact CB-CD1 4.42Å; L631-F647 HydrophobicContact CB-CD2 4.48Å; L631-F647 HydrophobicContact CB-CE1 4.13Å; L631-F647 HydrophobicContact CB-CE2 4.2Å; L631-F647 HydrophobicContact CB-CZ 4.01Å; L631-F647 HydrophobicContact CD1-CD2 4.25Å; L631-F647 HydrophobicContact CD1-CE2 4.28Å; L631-F647 HydrophobicContact CD2-CB 4.12Å; L631-F647 HydrophobicContact CD2-CD1 4.25Å; L631-F647 HydrophobicContact CD2-CD2 4.11Å; L631-F647 HydrophobicContact CD2-CG 3.89Å
632	T	90.3	Very high	89.5	Confident	55 Å²	55	52.4 Å²	52.4	34%	0.337	28%	0.278	S	S	.	.			trans	-136.1	157.1	179.3	50.9	0	0	0	0	110	T584 T630	T584-T632 WeakPolarHBondContact CG2-O 3.28Å; T630-T632 HydrophobicContact CG2-CG2 4.04Å; T630-T632 PolarHBondContact O-N 2.69Å
633	D	87.2	Confident	89.1	Confident	21 Å²	21	50.3 Å²	50.3	11%	0.112	27%	0.266	C	S	.	.			trans	-133.6	125.9	172.6	-170.9	-50	0	0	0	108.7	T584 E635 K636 V638	T584-D633 WeakPolarHBondContact CB-OD2 3.36Å; T584-D633 HydrophobicContact CG2-CB 3.69Å; T584-D633 VanDerWaalsContact CG2-OD2 3.24Å; T584-D633 WeakPolarHBondContact CG2-OD2 3.43Å; T584-D633 PolarHBondContact OG1-OD2 3.08Å; D633-E635 VanDerWaalsContact C-N 3.34Å; D633-E635 WeakPolarHBondContact OD1-CA 3.37Å; D633-E635 PolarHBondContact OD1-N 2.9Å; D633-K636 HydrophobicContact CB-CG 3.85Å; D633-K636 VanDerWaalsContact O-O 3.11Å; D633-K636 PolarHBondContact OD1-N 3.04Å; D633-K636 WeakPolarHBondContact OD2-CE 3.32Å; D633-K636 WeakPolarHBondContact OD2-CG 3.44Å; D633-V638 HydrophobicContact CB-CG1 3.69Å
634	P	82.3	Confident	89	Confident	94 Å²	94	49.5 Å²	49.5	61%	0.61	26%	0.261	S	S	*	.	S	Bend	trans	-73.7	-23.6	-178.9	30.2	-36.5	0	0	0	113.4	E587	E587-P634 WeakPolarHBondContact OE1-CG 3.46Å
635	E	79.6	Confident	89	Confident	132 Å²	132	49.5 Å²	49.5	62%	0.617	26%	0.261	S	S	*	.	S	Bend	trans	-96.9	-16.9	-174	-66.1	178.6	-171.8	0	0	113	K582 D633	K582-E635 WeakPolarHBondContact CD-OE2 3.44Å; K582-E635 IonicContact NZ-OE1 3.69Å; K582-E635 PolarHBondContact NZ-OE1 3.26Å; K582-E635 IonicContact NZ-OE2 3.82Å; K582-E635 PolarHBondContact NZ-OE2 3.43Å; D633-E635 VanDerWaalsContact C-N 3.34Å; D633-E635 WeakPolarHBondContact OD1-CA 3.37Å; D633-E635 PolarHBondContact OD1-N 2.9Å
636	K	83.9	Confident	88.8	Confident	18 Å²	18	46.4 Å²	46.4	8%	0.078	25%	0.247	C	C	.	.	S	Bend	trans	-146.8	150.6	-179	61.6	169.8	-171.3	177.8	0	114	K580 K582 D633 D645	K580-K636 WeakPolarHBondContact O-CD 3.13Å; K580-K636 PolarHBondContact O-NZ 3.37Å; K582-K636 PolarHBondContact O-NZ 2.95Å; D633-K636 HydrophobicContact CB-CG 3.85Å; D633-K636 VanDerWaalsContact O-O 3.11Å; D633-K636 PolarHBondContact OD1-N 3.04Å; D633-K636 WeakPolarHBondContact OD2-CE 3.32Å; D633-K636 WeakPolarHBondContact OD2-CG 3.44Å; K636-D645 IonicContact NZ-OD1 2.86Å
637	P	85.8	Confident	88.8	Confident	76 Å²	76	46.3 Å²	46.3	49%	0.494	25%	0.246	S	C	.	.			trans	-66.5	137.7	166.9	29.3	-34.5	0	0	0	110.6	E640	P637-E640 HydrophobicContact CB-CG 4.4Å; P637-E640 WeakPolarHBondContact CG-OE1 3.27Å
638	V	90.1	Very high	88.8	Confident	26 Å²	26	44.2 Å²	44.2	16%	0.158	23%	0.233	C	C	.	.			trans	-111.9	157.7	178.7	-69.3	0	0	0	0	110.8	D633 E640 F647	D633-V638 HydrophobicContact CB-CG1 3.69Å; V638-E640 VanDerWaalsContact C-N 3.29Å; V638-E640 PolarHBondContact O-N 3.46Å; V638-F647 HydrophobicContact CB-CZ 4.22Å; V638-F647 HydrophobicContact CG1-CE1 4.15Å; V638-F647 HydrophobicContact CG1-CZ 3.89Å
639	F	92.4	Very high	88.9	Confident	3 Å²	3	39.9 Å²	39.9	1%	0.013	21%	0.21	C	C	.	.	S	Bend	trans	62.6	29.8	177.4	-44.4	-59.3	0	0	0	115.2	I601 G610 T611 V615 L631 D645 F647 W674	I601-F639 HydrophobicContact CB-CE1 4.19Å; I601-F639 HydrophobicContact CD1-CE1 3.98Å; I601-F639 HydrophobicContact CD1-CZ 4.46Å; I601-F639 HydrophobicContact CG2-CD1 4.25Å; I601-F639 HydrophobicContact CG2-CE1 4.03Å; G610-F639 CarbonylContact C-O 3.54Å; G610-F639 WeakPolarHBondContact CA-O 3.21Å; T611-F639 HydrophobicContact CG2-CB 3.71Å; T611-F639 HydrophobicContact CG2-CD2 4.4Å; T611-F639 HydrophobicContact CG2-CG 4.32Å; T611-F639 PolarHBondContact N-O 3.38Å; T611-F639 VanDerWaalsContact N-O 3.13Å; V615-F639 HydrophobicContact CB-CD2 4.23Å; V615-F639 HydrophobicContact CB-CE2 3.67Å; V615-F639 HydrophobicContact CB-CZ 4.06Å; V615-F639 HydrophobicContact CG1-CE2 4.41Å; V615-F639 HydrophobicContact CG1-CZ 4.32Å; V615-F639 HydrophobicContact CG2-CD2 3.73Å; V615-F639 HydrophobicContact CG2-CE2 3.72Å; V615-F639 HydrophobicContact CG2-CG 4.38Å; V615-F639 HydrophobicContact CG2-CZ 4.35Å; L631-F639 HydrophobicContact CB-CE2 4.08Å; L631-F639 HydrophobicContact CB-CZ 3.61Å; L631-F639 HydrophobicContact CD1-CZ 4.03Å; L631-F639 WeakPolarHBondContact O-CE2 3.36Å; F639-D645 WeakPolarHBondContact CA-OD2 3.43Å; F639-D645 HydrophobicContact CE1-CB 4.5Å; F639-D645 PolarHBondContact N-OD2 3.42Å; F639-F647 AromaticContact CE1-CE2 3.84Å; F639-F647 HydrophobicContact CE1-CE2 3.84Å; F639-F647 HydrophobicContact CE1-CZ 4.08Å; F639-F647 HydrophobicContact CE2-CZ 4.42Å; F639-F647 AromaticContact CZ-CE2 3.76Å; F639-F647 HydrophobicContact CZ-CE2 3.76Å; F639-F647 AromaticContact CZ-CZ 3.67Å; F639-F647 HydrophobicContact CZ-CZ 3.67Å; F639-W674 HydrophobicContact CB-CZ2 4.49Å; F639-W674 HydrophobicContact CD1-CH2 4.28Å; F639-W674 AromaticContact CD1-CZ2 3.57Å; F639-W674 HydrophobicContact CD1-CZ2 3.57Å; F639-W674 HydrophobicContact CE1-CH2 4.33Å; F639-W674 HydrophobicContact CE1-CZ2 4.04Å; F639-W674 HydrophobicContact CG-CZ2 4.13Å
640	E	90.6	Very high	88.8	Confident	76 Å²	76	39.8 Å²	39.8	36%	0.355	21%	0.21	S	C	.	.			trans	-63.6	156	169	-66.9	-179.1	149.9	0	0	111	K580 T603 P637 V638 G642 S643	K580-E640 IonicContact NZ-OE1 2.93Å; K580-E640 PolarHBondContact NZ-OE1 2.92Å; K580-E640 IonicContact NZ-OE2 2.91Å; K580-E640 PolarHBondContact NZ-OE2 2.98Å; T603-E640 VanDerWaalsContact CB-O 3.29Å; T603-E640 WeakPolarHBondContact CB-O 3.29Å; T603-E640 VanDerWaalsContact CG2-O 3.31Å; T603-E640 WeakPolarHBondContact CG2-O 3.42Å; P637-E640 HydrophobicContact CB-CG 4.4Å; P637-E640 WeakPolarHBondContact CG-OE1 3.27Å; V638-E640 VanDerWaalsContact C-N 3.29Å; V638-E640 PolarHBondContact O-N 3.46Å; E640-G642 PolarHBondContact O-N 3.4Å; E640-S643 PolarHBondContact N-OG 2.73Å; E640-S643 WeakPolarHBondContact O-CB 3.27Å; E640-S643 PolarHBondContact O-N 3.32Å; E640-S643 PolarHBondContact O-OG 3.5Å
641	R	89.7	Confident	88.7	Confident	149 Å²	149	37.3 Å²	37.3	56%	0.562	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	126.2	176	175.6	-178.2	175.9	-160.5	-1.9	110.8	H605 R606 A609 S643	H605-R641 VanDerWaalsContact O-CZ 3.23Å; H605-R641 PolarHBondContact O-NE 3.22Å; H605-R641 PolarHBondContact O-NH2 3.25Å; R606-R641 VanDerWaalsContact O-CD 3.29Å; R606-R641 WeakPolarHBondContact O-CD 3.32Å; R606-R641 PolarHBondContact O-NE 2.87Å; A609-R641 HydrophobicContact CB-CG 4.36Å; R641-S643 PolarHBondContact O-N 3.43Å
642	G	82.6	Confident	88.6	Confident	16 Å²	16	37.7 Å²	37.7	17%	0.165	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	6.6	179.7	0	0	0	0	0	115.4	T603 G604 H605 E640	T603-G642 WeakPolarHBondContact O-CA 3.23Å; G604-G642 PolarHBondContact O-N 2.89Å; H605-G642 VanDerWaalsContact CE1-CA 3.46Å; H605-G642 WeakPolarHBondContact CE1-CA 3.08Å; E640-G642 PolarHBondContact O-N 3.4Å
643	S	84.8	Confident	88.7	Confident	19 Å²	19	35.4 Å²	35.4	13%	0.133	18%	0.183	C	C	.	.			trans	-69.2	158.6	178.4	74.9	0	0	0	0	112.5	T603 E640 R641 D645	T603-S643 PolarHBondContact N-O 3.44Å; T603-S643 PolarHBondContact OG1-OG 3.07Å; E640-S643 PolarHBondContact N-OG 2.73Å; E640-S643 WeakPolarHBondContact O-CB 3.27Å; E640-S643 PolarHBondContact O-N 3.32Å; E640-S643 PolarHBondContact O-OG 3.5Å; R641-S643 PolarHBondContact O-N 3.43Å; S643-D645 WeakPolarHBondContact CB-OD2 3.39Å; S643-D645 PolarHBondContact OG-OD2 2.85Å
644	F	86.6	Confident	88.9	Confident	63 Å²	63	35 Å²	35	28%	0.276	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	101.2	167.6	-174.5	-105.8	0	0	0	108.2	I601 Q602 M646	I601-F644 WeakPolarHBondContact O-CA 3.36Å; Q602-F644 HydrophobicContact CB-CD2 3.87Å; Q602-F644 HydrophobicContact CB-CE2 4.33Å; Q602-F644 HydrophobicContact CG-CD2 4.3Å; F644-M646 HydrophobicContact CD1-CG 4.24Å; F644-M646 HydrophobicContact CD1-SD 4.07Å; F644-M646 HydrophobicContact CE1-CE 4.38Å; F644-M646 HydrophobicContact CE1-CG 3.9Å; F644-M646 HydrophobicContact CE1-SD 3.21Å; F644-M646 WeakPolarHBondContact CE1-SD 3.33Å; F644-M646 HydrophobicContact CZ-SD 3.52Å; F644-M646 VanDerWaalsContact CZ-SD 3.52Å
645	D	89.5	Confident	89.5	Confident	8 Å²	8	30.5 Å²	30.5	4%	0.043	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	134	-172.2	-63.4	-58.9	0	0	0	110.2	G600 I601 K636 F639 S643 F647	G600-D645 CarbonylContact C-O 3.5Å; G600-D645 WeakPolarHBondContact CA-O 3.49Å; I601-D645 PolarHBondContact N-O 3.23Å; I601-D645 PolarHBondContact O-N 3.05Å; K636-D645 IonicContact NZ-OD1 2.86Å; F639-D645 WeakPolarHBondContact CA-OD2 3.43Å; F639-D645 HydrophobicContact CE1-CB 4.5Å; F639-D645 PolarHBondContact N-OD2 3.42Å; S643-D645 WeakPolarHBondContact CB-OD2 3.39Å; S643-D645 PolarHBondContact OG-OD2 2.85Å; D645-F647 HydrophobicContact CB-CE2 3.7Å; D645-F647 HydrophobicContact CB-CZ 3.95Å
646	M	89.6	Confident	90	Very high	17 Å²	17	25.1 Å²	25.1	8%	0.084	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.6	-175.7	-63.2	-68.6	-78.8	0	0	110.9	I583 T584 L598 I599 G600 F644 R749	I583-M646 HydrophobicContact CG1-CB 4.17Å; I583-M646 HydrophobicContact CG2-CB 4.39Å; T584-M646 PolarHBondContact N-O 3.14Å; L598-M646 HydrophobicContact CD1-CB 4.48Å; L598-M646 HydrophobicContact CD1-CE 3.93Å; L598-M646 HydrophobicContact CD2-CE 3.39Å; L598-M646 HydrophobicContact CG-CE 3.43Å; L598-M646 VanDerWaalsContact CG-CE 3.43Å; I599-M646 CarbonylContact O-C 3.59Å; I599-M646 VanDerWaalsContact O-CA 3.24Å; I599-M646 WeakPolarHBondContact O-CA 3.38Å; G600-M646 WeakPolarHBondContact CA-SD 3.24Å; F644-M646 HydrophobicContact CD1-CG 4.24Å; F644-M646 HydrophobicContact CD1-SD 4.07Å; F644-M646 HydrophobicContact CE1-CE 4.38Å; F644-M646 HydrophobicContact CE1-CG 3.9Å; F644-M646 HydrophobicContact CE1-SD 3.21Å; F644-M646 WeakPolarHBondContact CE1-SD 3.33Å; F644-M646 HydrophobicContact CZ-SD 3.52Å; F644-M646 VanDerWaalsContact CZ-SD 3.52Å; M646-R749 VanDerWaalsContact CG-NH1 3.32Å
647	F	92.6	Very high	90.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	135.6	-178.8	-55.7	-86.3	0	0	0	110	T584 L586 I599 L631 V638 F639 D645	T584-F647 HydrophobicContact CG2-CD1 4.03Å; T584-F647 HydrophobicContact CG2-CE1 4.24Å; T584-F647 CarbonylContact O-C 3.28Å; T584-F647 WeakPolarHBondContact O-CA 3.48Å; L586-F647 HydrophobicContact CD1-CB 4.33Å; L586-F647 HydrophobicContact CD2-CB 4.07Å; L586-F647 HydrophobicContact CD2-CD1 3.65Å; L586-F647 HydrophobicContact CD2-CG 4.18Å; L586-F647 HydrophobicContact CG-CB 4.1Å; L586-F647 HydrophobicContact CG-CD1 4.5Å; I599-F647 PolarHBondContact N-O 2.88Å; I599-F647 PolarHBondContact O-N 3.01Å; L631-F647 HydrophobicContact CB-CD1 4.42Å; L631-F647 HydrophobicContact CB-CD2 4.48Å; L631-F647 HydrophobicContact CB-CE1 4.13Å; L631-F647 HydrophobicContact CB-CE2 4.2Å; L631-F647 HydrophobicContact CB-CZ 4.01Å; L631-F647 HydrophobicContact CD1-CD2 4.25Å; L631-F647 HydrophobicContact CD1-CE2 4.28Å; L631-F647 HydrophobicContact CD2-CB 4.12Å; L631-F647 HydrophobicContact CD2-CD1 4.25Å; L631-F647 HydrophobicContact CD2-CD2 4.11Å; L631-F647 HydrophobicContact CD2-CG 3.89Å; V638-F647 HydrophobicContact CB-CZ 4.22Å; V638-F647 HydrophobicContact CG1-CE1 4.15Å; V638-F647 HydrophobicContact CG1-CZ 3.89Å; F639-F647 AromaticContact CE1-CE2 3.84Å; F639-F647 HydrophobicContact CE1-CE2 3.84Å; F639-F647 HydrophobicContact CE1-CZ 4.08Å; F639-F647 HydrophobicContact CE2-CZ 4.42Å; F639-F647 AromaticContact CZ-CE2 3.76Å; F639-F647 HydrophobicContact CZ-CE2 3.76Å; F639-F647 AromaticContact CZ-CZ 3.67Å; F639-F647 HydrophobicContact CZ-CZ 3.67Å; D645-F647 HydrophobicContact CB-CE2 3.7Å; D645-F647 HydrophobicContact CB-CZ 3.95Å
648	L	92.4	Very high	90.7	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	114.8	168.9	-169.5	69	0	0	0	108.7	T584 L585 L586 N589 N596 L598 L684 V1062 L1063	T584-L648 PolarHBondContact O-N 2.85Å; L585-L648 HydrophobicContact CD1-CB 4.19Å; L585-L648 HydrophobicContact CD1-CD2 3.91Å; L585-L648 HydrophobicContact CD1-CG 4.39Å; L586-L648 PolarHBondContact N-O 3.38Å; N589-L648 PolarHBondContact ND2-O 3.25Å; N596-L648 HydrophobicContact CB-CD1 4.05Å; L598-L648 HydrophobicContact CD1-CD1 4.48Å; L648-L684 HydrophobicContact CD1-CD1 3.46Å; L648-L684 VanDerWaalsContact CD1-CD1 3.46Å; L648-V1062 HydrophobicContact CB-CG1 4.08Å; L648-V1062 HydrophobicContact CD2-CB 4.33Å; L648-V1062 HydrophobicContact CD2-CG1 3.63Å; L648-V1062 HydrophobicContact CG-CG1 4.47Å; L648-L1063 HydrophobicContact CD2-CD2 4.13Å
649	L	94.1	Very high	90.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130.8	174.4	-175.7	160.7	0	0	0	108.9	L586 Y597 I599 V617 L619 H629 T651	L586-L649 HydrophobicContact CD1-CB 3.93Å; L586-L649 HydrophobicContact CD1-CD1 4.48Å; L586-L649 HydrophobicContact CD1-CG 4.28Å; Y597-L649 HydrophobicContact CD2-CD2 4.41Å; Y597-L649 PolarHBondContact N-O 3.37Å; Y597-L649 PolarHBondContact O-N 2.99Å; I599-L649 HydrophobicContact CD1-CB 3.81Å; I599-L649 HydrophobicContact CD1-CD1 3.64Å; I599-L649 HydrophobicContact CD1-CG 4.38Å; I599-L649 HydrophobicContact CG1-CB 4.41Å; V617-L649 HydrophobicContact CG1-CD1 4.36Å; L619-L649 HydrophobicContact CD1-CD1 4.23Å; L619-L649 HydrophobicContact CD1-CD2 4.35Å; L619-L649 HydrophobicContact CG-CD1 4.34Å; H629-L649 HydrophobicContact CB-CD1 4.13Å; H629-L649 VanDerWaalsContact CD2-CD1 3.42Å; H629-L649 WeakPolarHBondContact CD2-CD1 3.4Å; L649-T651 HydrophobicContact CD2-CG2 3.57Å
650	S	92.4	Very high	91	Very high	4 Å²	4	32.9 Å²	32.9	3%	0.028	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	139.3	178.8	60.8	0	0	0	0	112.7	N589 T593 Y595 N596 Q1066	N589-S650 VanDerWaalsContact CB-OG 3.26Å; N589-S650 WeakPolarHBondContact CB-OG 3.32Å; N589-S650 PolarHBondContact ND2-OG 3.1Å; N589-S650 PolarHBondContact OD1-N 3.22Å; N589-S650 PolarHBondContact OD1-OG 3.46Å; T593-S650 VanDerWaalsContact OG1-CB 3.25Å; T593-S650 WeakPolarHBondContact OG1-CB 3.25Å; T593-S650 PolarHBondContact OG1-OG 3.08Å; Y595-S650 CarbonylContact O-C 3.43Å; Y595-S650 WeakPolarHBondContact O-CA 3.35Å; N596-S650 WeakPolarHBondContact OD1-CB 2.86Å; S650-Q1066 PolarHBondContact OG-NE2 2.99Å
651	T	93.1	Very high	91.3	Very high	4 Å²	4	29.3 Å²	29.3	3%	0.025	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	155.8	179.4	58.8	0	0	0	0	111.4	H594 Y595 Y597 L649 Y653 L655	H594-T651 PolarHBondContact N-O 2.7Å; Y595-T651 WeakPolarHBondContact CB-O 3.3Å; Y595-T651 PolarHBondContact N-O 2.81Å; Y595-T651 PolarHBondContact O-N 3.35Å; Y597-T651 HydrophobicContact CD2-CG2 4.31Å; Y597-T651 HydrophobicContact CE2-CG2 4.27Å; L649-T651 HydrophobicContact CD2-CG2 3.57Å; T651-Y653 WeakPolarHBondContact CB-O 3.45Å; T651-Y653 PolarHBondContact O-N 3.17Å; T651-Y653 PolarHBondContact OG1-O 3.36Å; T651-L655 HydrophobicContact CG2-CD1 4.39Å; T651-L655 HydrophobicContact CG2-CD2 4.43Å
652	P	91.5	Very high	91.6	Very high	9 Å²	9	24.7 Å²	24.7	6%	0.058	13%	0.126	C	C	.	.	S	Bend	trans	-68.6	-20.9	177.5	25.9	-35.1	0	0	0	113.4	T593 L861 Y908 C909 F912	T593-P652 HydrophobicContact CG2-CB 4.22Å; P652-L861 HydrophobicContact CG-CB 4.45Å; P652-Y908 CarbonylContact O-C 3.07Å; P652-Y908 WeakPolarHBondContact O-CB 2.93Å; P652-Y908 VanDerWaalsContact O-O 3.12Å; P652-C909 PolarHBondContact O-N 3.29Å; P652-F912 HydrophobicContact CB-CB 4.01Å; P652-F912 HydrophobicContact CB-CD1 3.78Å; P652-F912 HydrophobicContact CB-CD2 3.87Å; P652-F912 HydrophobicContact CB-CE1 4.22Å; P652-F912 HydrophobicContact CB-CE2 4.3Å; P652-F912 HydrophobicContact CB-CG 3.6Å; P652-F912 HydrophobicContact CB-CZ 4.47Å
653	Y	91.6	Very high	92.3	Very high	6 Å²	6	24 Å²	24	2%	0.024	12%	0.118	C	C	.	.	S	Bend	trans	-152.5	163	-178.4	43.5	-107.3	0	0	0	111.1	A624 T651 L655 L861 M864 N865 H905 C909	A624-Y653 HydrophobicContact CB-CD2 4.21Å; A624-Y653 HydrophobicContact CB-CE2 3.52Å; T651-Y653 WeakPolarHBondContact CB-O 3.45Å; T651-Y653 PolarHBondContact O-N 3.17Å; T651-Y653 PolarHBondContact OG1-O 3.36Å; Y653-L655 HydrophobicContact CD2-CD2 4.44Å; Y653-L655 HydrophobicContact CE2-CD2 4.15Å; Y653-L861 WeakPolarHBondContact CE1-O 3.21Å; Y653-L861 PolarHBondContact OH-O 2.84Å; Y653-M864 VanDerWaalsContact OH-CB 3.28Å; Y653-M864 WeakPolarHBondContact OH-CB 3.34Å; Y653-N865 HydrophobicContact CD1-CB 4.38Å; Y653-N865 HydrophobicContact CD2-CB 4.31Å; Y653-N865 WeakPolarHBondContact CD2-ND2 3.27Å; Y653-N865 HydrophobicContact CE1-CB 3.8Å; Y653-N865 HydrophobicContact CE2-CB 3.78Å; Y653-N865 VanDerWaalsContact CZ-CB 3.5Å; Y653-N865 PolarHBondContact OH-N 2.75Å; Y653-H905 WeakPolarHBondContact CB-ND1 3.28Å; Y653-H905 AromaticContact CG-CE1 3.8Å; Y653-H905 AromaticContact CG-ND1 3.97Å; Y653-C909 VanDerWaalsContact CD1-SG 3.6Å
654	P	92.3	Very high	92.8	Very high	12 Å²	12	26 Å²	26	8%	0.078	13%	0.126	C	C	.	.			trans	-58.4	139.7	169.1	23.2	-33.9	0	0	0	112	Y595 G656 H905	Y595-P654 HydrophobicContact CD2-CB 4.09Å; Y595-P654 HydrophobicContact CD2-CG 4.43Å; Y595-P654 HydrophobicContact CE1-CB 4.15Å; Y595-P654 HydrophobicContact CE2-CB 3.6Å; Y595-P654 HydrophobicContact CE2-CG 4.14Å; P654-G656 VanDerWaalsContact C-N 3.31Å; P654-H905 HydrophobicContact CG-CB 4.08Å
655	L	93.3	Very high	93.2	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	11%	0.113	C	C	.	.			trans	-85.9	-3.3	174	-55.4	179.2	0	0	0	113	Y597 L619 G621 T622 E623 A624 T651 Y653 L658	Y597-L655 HydrophobicContact CD2-CD1 4.49Å; Y597-L655 HydrophobicContact CE2-CD1 3.87Å; Y597-L655 HydrophobicContact CE2-CG 3.84Å; Y597-L655 PolarHBondContact OH-N 2.83Å; L619-L655 HydrophobicContact CB-CD1 3.68Å; L619-L655 HydrophobicContact CD1-CD1 4.23Å; G621-L655 CarbonylContact C-O 3.32Å; G621-L655 VanDerWaalsContact CA-O 3.28Å; G621-L655 WeakPolarHBondContact CA-O 3.48Å; T622-L655 PolarHBondContact N-O 2.63Å; E623-L655 PolarHBondContact N-O 2.01Å; E623-L655 VanDerWaalsContact N-O 3.09Å; A624-L655 HydrophobicContact CB-CD2 3.95Å; A624-L655 PolarHBondContact N-O 3.25Å; T651-L655 HydrophobicContact CG2-CD1 4.39Å; T651-L655 HydrophobicContact CG2-CD2 4.43Å; Y653-L655 HydrophobicContact CD2-CD2 4.44Å; Y653-L655 HydrophobicContact CE2-CD2 4.15Å; L655-L658 HydrophobicContact CB-CD2 4.26Å; L655-L658 HydrophobicContact CD1-CD2 4.26Å
656	G	90.1	Very high	93.4	Very high	18 Å²	18	26.4 Å²	26.4	19%	0.186	13%	0.131	C	C	.	.			trans	77	-150.2	-171	0	0	0	0	0	112.8	P654 L658	P654-G656 VanDerWaalsContact C-N 3.31Å; G656-L658 PolarHBondContact O-N 2.97Å
657	E	91.1	Very high	93.5	Very high	124 Å²	124	28.5 Å²	28.5	58%	0.579	14%	0.142	S	C	*	.	S	Bend	trans	-75.2	121.8	176.6	-173.3	-178.6	-172.8	0	0	110.5	G621 T622 K659	G621-E657 CarbonylContact C-O 3.53Å; G621-E657 VanDerWaalsContact CA-O 3.25Å; G621-E657 WeakPolarHBondContact CA-O 3.18Å; T622-E657 HydrophobicContact CG2-CB 3.9Å; T622-E657 PolarHBondContact N-O 2.72Å; T622-E657 PolarHBondContact OG1-N 2.63Å; E657-K659 PolarHBondContact O-N 2.78Å
658	L	93.9	Very high	93.4	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	115.1	179.7	-65.6	-178	0	0	0	111.1	L619 L655 G656 I681 W690 F692 S713	L619-L658 HydrophobicContact CB-CD2 4.25Å; L655-L658 HydrophobicContact CB-CD2 4.26Å; L655-L658 HydrophobicContact CD1-CD2 4.26Å; G656-L658 PolarHBondContact O-N 2.97Å; L658-I681 HydrophobicContact CD1-CB 3.91Å; L658-I681 HydrophobicContact CD1-CD1 4.03Å; L658-I681 HydrophobicContact CD1-CG2 3.45Å; L658-I681 VanDerWaalsContact CD1-CG2 3.45Å; L658-W690 HydrophobicContact CB-CD2 3.89Å; L658-W690 HydrophobicContact CB-CE3 4.32Å; L658-W690 HydrophobicContact CB-CG 3.99Å; L658-W690 HydrophobicContact CD1-CD2 4.05Å; L658-W690 HydrophobicContact CD1-CE3 3.63Å; L658-W690 HydrophobicContact CD1-CZ3 4Å; L658-W690 HydrophobicContact CG-CD2 4.12Å; L658-W690 HydrophobicContact CG-CE3 4.05Å; L658-W690 HydrophobicContact CG-CH2 4.46Å; L658-W690 HydrophobicContact CG-CZ3 4.22Å; L658-F692 HydrophobicContact CB-CZ 4.36Å; L658-S713 VanDerWaalsContact O-CB 3.3Å; L658-S713 WeakPolarHBondContact O-CB 3.48Å
659	K	92.9	Very high	93.3	Very high	115 Å²	115	33 Å²	33	50%	0.5	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-50.2	177	-76.6	-180	166.9	168.1	0	111.2	I620 T622 E657 S713	I620-K659 PolarHBondContact O-N 3.1Å; T622-K659 HydrophobicContact CG2-CD 4.05Å; T622-K659 VanDerWaalsContact CG2-CE 3.47Å; T622-K659 HydrophobicContact CG2-CG 4.21Å; E657-K659 PolarHBondContact O-N 2.78Å; K659-S713 WeakPolarHBondContact O-CB 3.5Å; K659-S713 PolarHBondContact O-N 3.37Å
660	N	95.8	Very high	93	Very high	46 Å²	46	36.2 Å²	36.2	25%	0.246	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	151.8	-171.3	-53.3	-45.4	0	0	0	112.1	I620 T710 F711 N712	I620-N660 HydrophobicContact CB-CB 4.05Å; I620-N660 HydrophobicContact CD1-CB 4.25Å; I620-N660 HydrophobicContact CG2-CB 4.38Å; I620-N660 PolarHBondContact N-O 2.88Å; I620-N660 PolarHBondContact O-N 2.91Å; N660-T710 HydrophobicContact CB-CG2 3.71Å; N660-F711 CarbonylContact C-O 3.47Å; N660-F711 VanDerWaalsContact CA-O 3.25Å; N660-F711 WeakPolarHBondContact CA-O 3.4Å; N660-N712 PolarHBondContact OD1-OD1 3.25Å
661	L	96.8	Very high	92.9	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	123.8	173.4	172.6	66.9	0	0	0	108.6	V617 L619 L663 V679 I681 F692 T710 F711	V617-L661 HydrophobicContact CG2-CD1 3.36Å; L619-L661 HydrophobicContact CD2-CD1 3.52Å; L661-L663 HydrophobicContact CD2-CD1 4.35Å; L661-L663 HydrophobicContact CD2-CG 4.22Å; L661-L663 HydrophobicContact CG-CG 4.26Å; L661-V679 HydrophobicContact CD2-CB 3.54Å; L661-V679 HydrophobicContact CD2-CG1 3.53Å; L661-V679 HydrophobicContact CD2-CG2 3.81Å; L661-I681 HydrophobicContact CD1-CD1 3.92Å; L661-F692 HydrophobicContact CB-CD1 3.58Å; L661-F692 HydrophobicContact CB-CD2 4.26Å; L661-F692 HydrophobicContact CB-CE1 3.58Å; L661-F692 HydrophobicContact CB-CE2 4.27Å; L661-F692 HydrophobicContact CB-CG 3.94Å; L661-F692 HydrophobicContact CB-CZ 3.95Å; L661-F692 HydrophobicContact CD2-CB 4.12Å; L661-F692 HydrophobicContact CD2-CD1 4.41Å; L661-F692 HydrophobicContact CD2-CD2 4.06Å; L661-F692 HydrophobicContact CD2-CG 3.93Å; L661-T710 CarbonylContact O-C 3.59Å; L661-T710 WeakPolarHBondContact O-CA 3.49Å; L661-F711 HydrophobicContact CB-CB 4.48Å; L661-F711 PolarHBondContact N-O 2.83Å; L661-F711 PolarHBondContact O-N 2.93Å
662	R	97.2	Very high	92.9	Very high	53 Å²	53	43.9 Å²	43.9	20%	0.2	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	121.1	174	-168.1	170.2	73.3	-178.3	4.3	110.1	V617 K618 K709	V617-R662 CarbonylContact C-O 3.5Å; V617-R662 WeakPolarHBondContact CA-O 3.34Å; K618-R662 HydrophobicContact CB-CB 4.25Å; K618-R662 PolarHBondContact N-O 3.18Å; K618-R662 PolarHBondContact O-N 3.26Å; R662-K709 CarbonylContact C-O 3.6Å; R662-K709 WeakPolarHBondContact CA-O 3.44Å
663	L	96.8	Very high	93	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	139.2	172.9	-67.1	175.2	0	0	0	109.8	I601 V617 L661 W674 V676 V679 L698 K708 K709 F711	I601-L663 HydrophobicContact CD1-CD2 4.38Å; V617-L663 HydrophobicContact CB-CD2 4.08Å; V617-L663 HydrophobicContact CG2-CD2 3.81Å; L661-L663 HydrophobicContact CD2-CD1 4.35Å; L661-L663 HydrophobicContact CD2-CG 4.22Å; L661-L663 HydrophobicContact CG-CG 4.26Å; L663-W674 HydrophobicContact CD1-CH2 4.4Å; L663-W674 HydrophobicContact CD1-CZ3 4.34Å; L663-V676 HydrophobicContact CD1-CG1 4.23Å; L663-V679 HydrophobicContact CD1-CG2 3.95Å; L663-L698 HydrophobicContact CB-CD1 4.05Å; L663-L698 HydrophobicContact CD1-CD1 4.47Å; L663-K708 WeakPolarHBondContact O-CA 3.44Å; L663-K709 PolarHBondContact N-O 3.4Å; L663-K709 PolarHBondContact O-N 3.24Å; L663-F711 HydrophobicContact CB-CE2 4.16Å; L663-F711 HydrophobicContact CD1-CD2 4.21Å; L663-F711 HydrophobicContact CD1-CE2 3.84Å; L663-F711 HydrophobicContact CG-CD2 4.43Å; L663-F711 HydrophobicContact CG-CE2 4.25Å
664	Q	95.4	Very high	93.2	Very high	61 Å²	61	43.8 Å²	43.8	29%	0.285	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	147	177.9	172.7	175.2	-10	0	0	110.1	V615 T616 T707 K708	V615-Q664 CarbonylContact C-O 3.56Å; V615-Q664 WeakPolarHBondContact CA-O 3.43Å; T616-Q664 PolarHBondContact N-O 3.22Å; T616-Q664 PolarHBondContact O-N 2.8Å; T616-Q664 WeakPolarHBondContact OG1-CB 3.26Å; T616-Q664 PolarHBondContact OG1-O 3.2Å; Q664-T707 CarbonylContact C-O 3.55Å; Q664-T707 VanDerWaalsContact CA-O 3.28Å; Q664-T707 WeakPolarHBondContact CA-O 3.33Å; Q664-K708 HydrophobicContact CB-CB 4.07Å; Q664-K708 HydrophobicContact CB-CG 4.03Å; Q664-K708 HydrophobicContact CG-CB 3.99Å; Q664-K708 HydrophobicContact CG-CD 4.48Å; Q664-K708 HydrophobicContact CG-CG 4.27Å; Q664-K708 VanDerWaalsContact OE1-CD 3.32Å
665	H	94.7	Very high	93.3	Very high	3 Å²	3	44 Å²	44	1%	0.014	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	157.2	165.9	68.1	101.7	0	0	0	111.5	A613 N614 V615 N667 L698 S699 T707	A613-H665 HydrophobicContact CB-CB 3.97Å; N614-H665 VanDerWaalsContact O-CA 3.22Å; N614-H665 WeakPolarHBondContact O-CA 3.48Å; V615-H665 HydrophobicContact CG2-CB 4.3Å; H665-N667 VanDerWaalsContact C-N 3.29Å; H665-N667 PolarHBondContact ND1-N 3.12Å; H665-N667 PolarHBondContact O-N 3.44Å; H665-L698 PolarHBondContact NE2-O 3.46Å; H665-L698 VanDerWaalsContact NE2-O 3.09Å; H665-S699 PolarHBondContact NE2-N 3.07Å; H665-T707 PolarHBondContact CD2-O 2.76Å; H665-T707 VanDerWaalsContact CD2-O 3.24Å; H665-T707 VanDerWaalsContact CE1-CG2 3.44Å; H665-T707 WeakPolarHBondContact CE1-CG2 3.22Å; H665-T707 PolarHBondContact N-O 3.19Å; H665-T707 WeakPolarHBondContact NE2-CA 3.22Å; H665-T707 VanDerWaalsContact NE2-CB 3.27Å; H665-T707 WeakPolarHBondContact NE2-CB 3.43Å; H665-T707 WeakPolarHBondContact NE2-CG2 3.35Å
666	D	93.9	Very high	93.4	Very high	78 Å²	78	44 Å²	44	42%	0.417	25%	0.252	S	S	.	.			trans	-85.9	3.4	-176.4	68.6	-7	0	0	0	114.3	A613 N614 S668	A613-D666 WeakPolarHBondContact CB-OD1 3.29Å; N614-D666 WeakPolarHBondContact CB-OD2 3.34Å; N614-D666 PolarHBondContact N-OD1 3.36Å; N614-D666 PolarHBondContact ND2-OD2 3.25Å; N614-D666 PolarHBondContact O-N 3.22Å; N614-D666 VanDerWaalsContact O-N 3.16Å; D666-S668 PolarHBondContact O-N 3.19Å; D666-S668 VanDerWaalsContact OD1-CB 3.25Å; D666-S668 WeakPolarHBondContact OD1-CB 3.18Å; D666-S668 PolarHBondContact OD1-N 3.05Å; D666-S668 PolarHBondContact OD1-OG 3.24Å; D666-S668 WeakPolarHBondContact OD2-CB 3.44Å; D666-S668 PolarHBondContact OD2-OG 3.01Å
667	N	92	Very high	93.4	Very high	61 Å²	61	44.4 Å²	44.4	33%	0.326	25%	0.252	S	S	.	.			trans	57.9	22.3	-176	-151.6	46.4	0	0	0	114.6	H665 P672 S700	H665-N667 VanDerWaalsContact C-N 3.29Å; H665-N667 PolarHBondContact ND1-N 3.12Å; H665-N667 PolarHBondContact O-N 3.44Å; N667-P672 HydrophobicContact CB-CB 4.47Å; N667-P672 VanDerWaalsContact OD1-CB 3.25Å; N667-P672 WeakPolarHBondContact OD1-CB 3.45Å; N667-P672 WeakPolarHBondContact OD1-CG 3.31Å; N667-S700 PolarHBondContact ND2-OG 3.3Å; N667-S700 VanDerWaalsContact ND2-OG 3.12Å; N667-S700 PolarHBondContact OD1-OG 3.48Å
668	S	90.6	Very high	93.3	Very high	41 Å²	41	40.4 Å²	40.4	29%	0.287	23%	0.233	S	C	.	.			trans	-83.7	169.6	179.4	70.3	0	0	0	0	113.6	S612 A613 D666	S612-S668 PolarHBondContact OG-O 2.8Å; A613-S668 VanDerWaalsContact CA-O 3.28Å; A613-S668 WeakPolarHBondContact CA-O 3.35Å; A613-S668 WeakPolarHBondContact CB-O 3.08Å; A613-S668 PolarHBondContact N-O 3.14Å; D666-S668 PolarHBondContact O-N 3.19Å; D666-S668 VanDerWaalsContact OD1-CB 3.25Å; D666-S668 WeakPolarHBondContact OD1-CB 3.18Å; D666-S668 PolarHBondContact OD1-N 3.05Å; D666-S668 PolarHBondContact OD1-OG 3.24Å; D666-S668 WeakPolarHBondContact OD2-CB 3.44Å; D666-S668 PolarHBondContact OD2-OG 3.01Å
669	G	89.6	Confident	93.3	Very high	55 Å²	55	40.3 Å²	40.3	57%	0.567	23%	0.233	S	C	*	.	S	Bend	trans	78.6	179.8	-179.9	0	0	0	0	0	113.8	S612	S612-G669 WeakPolarHBondContact OG-CA 3.47Å
670	G	88.2	Confident	93.2	Very high	67 Å²	67	36 Å²	36	69%	0.691	22%	0.216	S	C	*	.	S	Bend	trans	-77.3	-23.7	-173.7	0	0	0	0	0	114.4	S612	S612-G670 PolarHBondContact OG-N 2.96Å
671	H	90.9	Very high	93.1	Very high	147 Å²	147	33.9 Å²	33.9	68%	0.681	21%	0.205	S	C	*	.			trans	-136.7	72.9	-173.3	-58.1	47.1	0	0	0	108.7	T611 S612	T611-H671 WeakPolarHBondContact CA-O 3.44Å; S612-H671 PolarHBondContact N-O 3.23Å; S612-H671 PolarHBondContact OG-N 3.18Å; S612-H671 PolarHBondContact OG-O 3.11Å
672	P	92.2	Very high	92.8	Very high	22 Å²	22	34.9 Å²	34.9	14%	0.143	21%	0.209	C	C	.	.			trans	-79.3	-21	-169.7	30	-35.6	0	0	0	114.3	T611 A613 N667 W674	T611-P672 PolarHBondContact OG1-O 3.46Å; A613-P672 HydrophobicContact CB-CB 4.12Å; N667-P672 HydrophobicContact CB-CB 4.47Å; N667-P672 VanDerWaalsContact OD1-CB 3.25Å; N667-P672 WeakPolarHBondContact OD1-CB 3.45Å; N667-P672 WeakPolarHBondContact OD1-CG 3.31Å; P672-W674 PolarHBondContact O-N 3.22Å
673	S	93.7	Very high	92.5	Very high	14 Å²	14	32.5 Å²	32.5	10%	0.098	20%	0.201	C	C	.	.			trans	-62.5	130.1	-177.9	-32.5	0	0	0	0	110.9	G610 D701	G610-S673 VanDerWaalsContact O-O 3.13Å; S673-D701 PolarHBondContact OG-OD1 3.01Å; S673-D701 PolarHBondContact OG-OD2 3.03Å
674	W	95.6	Very high	92	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	131.5	-174.9	-170	33.7	0	0	0	111.6	I601 T603 A609 T611 V615 F639 L663 P672 V676 W697 L698	I601-W674 HydrophobicContact CD1-CH2 4.48Å; I601-W674 HydrophobicContact CG2-CH2 3.74Å; I601-W674 HydrophobicContact CG2-CZ2 3.5Å; I601-W674 VanDerWaalsContact CG2-CZ2 3.5Å; T603-W674 PolarHBondContact OG1-NE1 2.97Å; A609-W674 VanDerWaalsContact O-CD1 3.24Å; T611-W674 HydrophobicContact CG2-CB 3.86Å; T611-W674 HydrophobicContact CG2-CD2 3.94Å; T611-W674 HydrophobicContact CG2-CG 3.52Å; V615-W674 HydrophobicContact CB-CZ3 4.49Å; V615-W674 HydrophobicContact CG1-CE3 4.41Å; V615-W674 HydrophobicContact CG1-CH2 3.85Å; V615-W674 HydrophobicContact CG1-CZ3 3.58Å; V615-W674 HydrophobicContact CG2-CE3 4.11Å; V615-W674 HydrophobicContact CG2-CH2 4.39Å; V615-W674 HydrophobicContact CG2-CZ3 4.02Å; F639-W674 HydrophobicContact CB-CZ2 4.49Å; F639-W674 HydrophobicContact CD1-CH2 4.28Å; F639-W674 AromaticContact CD1-CZ2 3.57Å; F639-W674 HydrophobicContact CD1-CZ2 3.57Å; F639-W674 HydrophobicContact CE1-CH2 4.33Å; F639-W674 HydrophobicContact CE1-CZ2 4.04Å; F639-W674 HydrophobicContact CG-CZ2 4.13Å; L663-W674 HydrophobicContact CD1-CH2 4.4Å; L663-W674 HydrophobicContact CD1-CZ3 4.34Å; P672-W674 PolarHBondContact O-N 3.22Å; W674-V676 HydrophobicContact CD2-CG2 3.41Å; W674-V676 VanDerWaalsContact CD2-CG2 3.41Å; W674-V676 HydrophobicContact CE3-CG2 3.35Å; W674-V676 HydrophobicContact CG-CG2 4.19Å; W674-V676 HydrophobicContact CH2-CG1 4.46Å; W674-V676 HydrophobicContact CH2-CG2 3.51Å; W674-V676 HydrophobicContact CZ2-CG1 4.5Å; W674-V676 HydrophobicContact CZ2-CG2 3.59Å; W674-V676 HydrophobicContact CZ3-CG2 3.4Å; W674-W697 CarbonylContact O-C 3.57Å; W674-W697 WeakPolarHBondContact O-CA 3.46Å; W674-L698 HydrophobicContact CB-CB 4.43Å; W674-L698 HydrophobicContact CE3-CB 4.39Å; W674-L698 HydrophobicContact CE3-CD1 3.66Å; W674-L698 HydrophobicContact CZ3-CD1 3.81Å; W674-L698 PolarHBondContact N-O 2.83Å; W674-L698 PolarHBondContact O-N 2.8Å
675	Y	95.1	Very high	91.4	Very high	16 Å²	16	33.6 Å²	33.6	6%	0.063	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	114.4	170	-173.4	-83	0	0	0	110.3	G604 R606 A609 N695 W697	G604-Y675 PolarHBondContact N-O 3.44Å; R606-Y675 VanDerWaalsContact NH1-CE2 3.28Å; R606-Y675 PolarHBondContact NH2-OH 3.31Å; A609-Y675 PolarHBondContact O-N 3.39Å; Y675-N695 PolarHBondContact OH-O 2.91Å; Y675-W697 AromaticContact CD2-CD1 3.82Å; Y675-W697 AromaticContact CD2-CD2 3.74Å; Y675-W697 HydrophobicContact CD2-CD2 3.74Å; Y675-W697 AromaticContact CD2-CE2 3.63Å; Y675-W697 HydrophobicContact CD2-CE3 4.41Å; Y675-W697 AromaticContact CD2-CG 3.85Å; Y675-W697 HydrophobicContact CD2-CG 3.85Å; Y675-W697 HydrophobicContact CD2-CZ2 4.2Å; Y675-W697 AromaticContact CD2-NE1 3.71Å; Y675-W697 HydrophobicContact CG-CD2 4.32Å
676	V	94.3	Very high	90.8	Very high	0 Å²	0	37 Å²	37	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	123	178.2	-169.1	0	0	0	0	109.2	I601 L663 W674 V679 C694 N695 C696 L698	I601-V676 HydrophobicContact CG2-CG1 4.48Å; L663-V676 HydrophobicContact CD1-CG1 4.23Å; W674-V676 HydrophobicContact CD2-CG2 3.41Å; W674-V676 VanDerWaalsContact CD2-CG2 3.41Å; W674-V676 HydrophobicContact CE3-CG2 3.35Å; W674-V676 HydrophobicContact CG-CG2 4.19Å; W674-V676 HydrophobicContact CH2-CG1 4.46Å; W674-V676 HydrophobicContact CH2-CG2 3.51Å; W674-V676 HydrophobicContact CZ2-CG1 4.5Å; W674-V676 HydrophobicContact CZ2-CG2 3.59Å; W674-V676 HydrophobicContact CZ3-CG2 3.4Å; V676-V679 HydrophobicContact CG1-CG2 4.14Å; V676-C694 HydrophobicContact CB-CB 3.94Å; V676-C694 HydrophobicContact CG1-CB 3.81Å; V676-C694 WeakPolarHBondContact O-CB 3.39Å; V676-N695 VanDerWaalsContact O-CA 3.26Å; V676-N695 WeakPolarHBondContact O-CA 3.36Å; V676-N695 PolarHBondContact O-N 2.65Å; V676-C696 PolarHBondContact N-O 3.36Å; V676-C696 PolarHBondContact O-N 2.76Å; V676-L698 HydrophobicContact CG2-CD1 3.69Å
677	S	90.8	Very high	90.1	Very high	27 Å²	27	38 Å²	38	19%	0.189	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-55.2	176.4	-172.1	0	0	0	0	111.2	Q602 C694 N695	Q602-S677 PolarHBondContact O-N 3.2Å; S677-C694 PolarHBondContact O-N 3.43Å; S677-C694 VanDerWaalsContact O-N 3.08Å; S677-N695 PolarHBondContact O-N 3.48Å; S677-N695 PolarHBondContact O-OD1 3.34Å; S677-N695 PolarHBondContact OG-OD1 3.21Å; S677-N695 VanDerWaalsContact OG-OD1 3.1Å
678	K	89.8	Confident	89.7	Confident	41 Å²	41	39 Å²	39	18%	0.178	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	147.4	-173.9	-173.4	-175	-178.5	-169	0	110.6	Q602 T680 H691 F692 F693	Q602-K678 HydrophobicContact CB-CB 4.34Å; Q602-K678 WeakPolarHBondContact CB-O 3.41Å; Q602-K678 PolarHBondContact N-O 2.89Å; K678-T680 HydrophobicContact CD-CG2 4.09Å; K678-T680 HydrophobicContact CG-CG2 4.39Å; K678-H691 WeakPolarHBondContact CE-ND1 3.42Å; K678-H691 PolarHBondContact NZ-CE1 3.42Å; K678-H691 PolarHBondContact NZ-ND1 2.98Å; K678-F692 CarbonylContact C-O 3.57Å; K678-F692 WeakPolarHBondContact CA-O 3.46Å; K678-F692 WeakPolarHBondContact CG-O 3.1Å; K678-F693 HydrophobicContact CD-CD1 4.05Å; K678-F693 HydrophobicContact CD-CE1 3.84Å; K678-F693 HydrophobicContact CG-CD1 4.02Å; K678-F693 HydrophobicContact CG-CE1 4.3Å
679	V	93.4	Very high	89.5	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	139.9	163.7	-177.7	0	0	0	0	110.2	I599 G600 I601 L661 L663 V676 I681 F692	I599-V679 HydrophobicContact CG2-CG1 4.01Å; G600-V679 CarbonylContact O-C 3.56Å; G600-V679 VanDerWaalsContact O-CA 3.27Å; G600-V679 WeakPolarHBondContact O-CA 3.26Å; G600-V679 WeakPolarHBondContact O-CG1 3.45Å; I601-V679 HydrophobicContact CB-CG2 4.47Å; I601-V679 HydrophobicContact CG1-CG1 4.1Å; I601-V679 HydrophobicContact CG1-CG2 4.01Å; I601-V679 HydrophobicContact CG2-CG2 4.29Å; L661-V679 HydrophobicContact CD2-CB 3.54Å; L661-V679 HydrophobicContact CD2-CG1 3.53Å; L661-V679 HydrophobicContact CD2-CG2 3.81Å; L663-V679 HydrophobicContact CD1-CG2 3.95Å; V676-V679 HydrophobicContact CG1-CG2 4.14Å; V679-I681 HydrophobicContact CG1-CG1 4.16Å; V679-F692 HydrophobicContact CB-CB 4.26Å; V679-F692 PolarHBondContact N-O 2.84Å; V679-F692 PolarHBondContact O-N 3.35Å
680	T	91.4	Very high	89.6	Confident	25 Å²	25	37.6 Å²	37.6	15%	0.153	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	127.1	175.9	57.5	0	0	0	0	109.3	G600 K678 W690 H691	G600-T680 PolarHBondContact N-O 2.74Å; G600-T680 PolarHBondContact O-N 2.9Å; G600-T680 PolarHBondContact O-OG1 2.94Å; K678-T680 HydrophobicContact CD-CG2 4.09Å; K678-T680 HydrophobicContact CG-CG2 4.39Å; T680-W690 WeakPolarHBondContact CA-O 3.35Å; T680-H691 WeakPolarHBondContact CG2-ND1 3.42Å
681	I	93.2	Very high	89.7	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	127.6	177	-58.1	177	0	0	0	108.3	Y597 L598 I599 L619 L658 L661 V679 V689 W690 F692	Y597-I681 HydrophobicContact CD1-CG2 4.09Å; L598-I681 WeakPolarHBondContact O-CA 3.09Å; I599-I681 HydrophobicContact CG1-CG1 4.41Å; I599-I681 HydrophobicContact CG2-CG1 4.4Å; L619-I681 HydrophobicContact CD1-CD1 4.5Å; L619-I681 HydrophobicContact CD2-CD1 3.41Å; L619-I681 VanDerWaalsContact CD2-CD1 3.41Å; L658-I681 HydrophobicContact CD1-CB 3.91Å; L658-I681 HydrophobicContact CD1-CD1 4.03Å; L658-I681 HydrophobicContact CD1-CG2 3.45Å; L658-I681 VanDerWaalsContact CD1-CG2 3.45Å; L661-I681 HydrophobicContact CD1-CD1 3.92Å; V679-I681 HydrophobicContact CG1-CG1 4.16Å; I681-V689 CarbonylContact O-C 3.59Å; I681-V689 WeakPolarHBondContact O-CA 3.27Å; I681-W690 PolarHBondContact N-O 3.35Å; I681-W690 PolarHBondContact O-N 3.26Å; I681-F692 HydrophobicContact CB-CE2 4.45Å; I681-F692 HydrophobicContact CD1-CD2 4.3Å; I681-F692 HydrophobicContact CD1-CE2 3.71Å; I681-F692 HydrophobicContact CD1-CZ 4.42Å; I681-F692 HydrophobicContact CG1-CD2 4.46Å; I681-F692 HydrophobicContact CG1-CE2 4.1Å
682	Q	90.6	Very high	89.8	Confident	21 Å²	21	28.9 Å²	28.9	10%	0.098	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.6	176.9	177.9	176.9	10	0	0	110	Y597 L598 L684 N688 V689 V1053	Y597-Q682 WeakPolarHBondContact CA-O 3.17Å; L598-Q682 HydrophobicContact CB-CB 4.33Å; L598-Q682 PolarHBondContact N-O 3.39Å; L598-Q682 PolarHBondContact O-N 2.73Å; Q682-L684 HydrophobicContact CG-CD2 4.34Å; Q682-N688 CarbonylContact C-O 3.47Å; Q682-N688 WeakPolarHBondContact CA-O 3.42Å; Q682-V689 HydrophobicContact CB-CG2 4.15Å; Q682-V689 HydrophobicContact CG-CG2 3.93Å; Q682-V1053 VanDerWaalsContact OE1-CG1 3.31Å
683	D	90	Very high	89.6	Confident	3 Å²	3	31 Å²	31	2%	0.016	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	119.1	165.3	176.4	-29	0	0	0	108.4	Y595 Y597 Q685 N686 K687 N688 W690	Y595-D683 VanDerWaalsContact OH-CG 3.31Å; Y595-D683 PolarHBondContact OH-OD1 3.44Å; Y595-D683 PolarHBondContact OH-OD2 3.08Å; Y597-D683 HydrophobicContact CD1-CB 4.29Å; Y597-D683 HydrophobicContact CE1-CB 4.08Å; D683-Q685 VanDerWaalsContact C-N 3.33Å; D683-Q685 WeakPolarHBondContact OD1-CA 3.4Å; D683-Q685 WeakPolarHBondContact OD1-CB 3.3Å; D683-Q685 PolarHBondContact OD1-N 3.43Å; D683-Q685 PolarHBondContact OD1-OE1 2.99Å; D683-N686 PolarHBondContact OD1-N 2.96Å; D683-N686 PolarHBondContact OD2-ND2 3.37Å; D683-K687 WeakPolarHBondContact O-CA 3.4Å; D683-K687 PolarHBondContact O-N 2.91Å; D683-N688 HydrophobicContact CB-CB 4.35Å; D683-N688 PolarHBondContact N-O 2.91Å; D683-W690 HydrophobicContact CB-CH2 3.91Å; D683-W690 HydrophobicContact CB-CZ3 3.66Å
684	L	86.3	Confident	89.5	Confident	35 Å²	35	31 Å²	31	18%	0.183	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-15.4	-174.8	-66.6	174.6	0	0	0	113.2	N596 L598 L648 Q682 L1063	N596-L684 HydrophobicContact CB-CB 4.43Å; N596-L684 HydrophobicContact CB-CD1 3.91Å; N596-L684 PolarHBondContact O-N 3.37Å; N596-L684 VanDerWaalsContact O-N 3.13Å; L598-L684 HydrophobicContact CB-CD1 4.26Å; L598-L684 HydrophobicContact CB-CD2 4.15Å; L598-L684 HydrophobicContact CB-CG 4.24Å; L598-L684 HydrophobicContact CD2-CD2 4.41Å; L648-L684 HydrophobicContact CD1-CD1 3.46Å; L648-L684 VanDerWaalsContact CD1-CD1 3.46Å; Q682-L684 HydrophobicContact CG-CD2 4.34Å; L684-L1063 HydrophobicContact CD1-CD1 4.27Å; L684-L1063 HydrophobicContact CD1-CD2 4.08Å; L684-L1063 HydrophobicContact CD1-CG 4.37Å
685	Q	83.9	Confident	89.2	Confident	49 Å²	49	35 Å²	35	23%	0.229	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-52.7	178.1	-70.4	68.8	17.9	0	0	110.2	H594 Y595 N596 D683 Y908	H594-Q685 PolarHBondContact O-NE2 2.99Å; Y595-Q685 HydrophobicContact CD2-CG 4.27Å; Y595-Q685 HydrophobicContact CE2-CB 4.21Å; Y595-Q685 HydrophobicContact CE2-CG 4Å; N596-Q685 VanDerWaalsContact N-OE1 3.17Å; N596-Q685 PolarHBondContact O-OE1 3.12Å; N596-Q685 VanDerWaalsContact O-OE1 3.09Å; D683-Q685 VanDerWaalsContact C-N 3.33Å; D683-Q685 WeakPolarHBondContact OD1-CA 3.4Å; D683-Q685 WeakPolarHBondContact OD1-CB 3.3Å; D683-Q685 PolarHBondContact OD1-N 3.43Å; D683-Q685 PolarHBondContact OD1-OE1 2.99Å; Q685-Y908 HydrophobicContact CG-CE2 4.43Å; Q685-Y908 WeakPolarHBondContact CG-OH 3.37Å
686	N	81.5	Confident	89.1	Confident	75 Å²	75	35.5 Å²	35.5	40%	0.401	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-11	-174.9	-62.6	-32.6	0	0	0	113.5	Y595 D683 N688	Y595-N686 PolarHBondContact OH-ND2 3.4Å; D683-N686 PolarHBondContact OD1-N 2.96Å; D683-N686 PolarHBondContact OD2-ND2 3.37Å; N686-N688 PolarHBondContact O-N 3.06Å
687	K	79.9	Confident	89.1	Confident	97 Å²	97	37.1 Å²	37.1	42%	0.422	19%	0.188	S	C	.	.			trans	63.2	19.9	-177.4	-47	-173.5	-170.6	-159.5	0	114.4	D683 E1055	D683-K687 WeakPolarHBondContact O-CA 3.4Å; D683-K687 PolarHBondContact O-N 2.91Å; K687-E1055 VanDerWaalsContact CD-OE1 3.32Å; K687-E1055 WeakPolarHBondContact CD-OE1 3.46Å; K687-E1055 WeakPolarHBondContact CE-OE1 3.28Å; K687-E1055 IonicContact NZ-OE1 3.51Å; K687-E1055 PolarHBondContact NZ-OE1 3.48Å; K687-E1055 IonicContact NZ-OE2 3.76Å; K687-E1055 PolarHBondContact NZ-OE2 3.23Å
688	N	83.4	Confident	89.3	Confident	83 Å²	83	35.8 Å²	35.8	44%	0.444	18%	0.179	S	C	.	.			trans	-72.9	139.9	172.5	-70.9	-21.2	0	0	0	109.7	Q682 D683 N686 W690	Q682-N688 CarbonylContact C-O 3.47Å; Q682-N688 WeakPolarHBondContact CA-O 3.42Å; D683-N688 HydrophobicContact CB-CB 4.35Å; D683-N688 PolarHBondContact N-O 2.91Å; N686-N688 PolarHBondContact O-N 3.06Å; N688-W690 HydrophobicContact CB-CE3 4.46Å; N688-W690 HydrophobicContact CB-CH2 3.38Å; N688-W690 HydrophobicContact CB-CZ2 3.65Å; N688-W690 HydrophobicContact CB-CZ3 3.83Å
689	V	86.8	Confident	89.4	Confident	45 Å²	45	33.9 Å²	33.9	27%	0.273	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	125.6	-178.4	-179.6	0	0	0	0	108.8	I681 Q682 V1053	I681-V689 CarbonylContact O-C 3.59Å; I681-V689 WeakPolarHBondContact O-CA 3.27Å; Q682-V689 HydrophobicContact CB-CG2 4.15Å; Q682-V689 HydrophobicContact CG-CG2 3.93Å; V689-V1053 HydrophobicContact CB-CG2 4.23Å; V689-V1053 HydrophobicContact CG1-CG2 3.91Å; V689-V1053 HydrophobicContact CG2-CB 3.98Å; V689-V1053 HydrophobicContact CG2-CG1 4.34Å; V689-V1053 HydrophobicContact CG2-CG2 3.64Å
690	W	90.4	Very high	89.3	Confident	22 Å²	22	36.9 Å²	36.9	8%	0.083	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	143.7	174.8	-58.9	-88.6	0	0	0	110.3	Y597 L658 T680 I681 D683 N688 F692	Y597-W690 HydrophobicContact CE1-CZ3 4.48Å; L658-W690 HydrophobicContact CB-CD2 3.89Å; L658-W690 HydrophobicContact CB-CE3 4.32Å; L658-W690 HydrophobicContact CB-CG 3.99Å; L658-W690 HydrophobicContact CD1-CD2 4.05Å; L658-W690 HydrophobicContact CD1-CE3 3.63Å; L658-W690 HydrophobicContact CD1-CZ3 4Å; L658-W690 HydrophobicContact CG-CD2 4.12Å; L658-W690 HydrophobicContact CG-CE3 4.05Å; L658-W690 HydrophobicContact CG-CH2 4.46Å; L658-W690 HydrophobicContact CG-CZ3 4.22Å; T680-W690 WeakPolarHBondContact CA-O 3.35Å; I681-W690 PolarHBondContact N-O 3.35Å; I681-W690 PolarHBondContact O-N 3.26Å; D683-W690 HydrophobicContact CB-CH2 3.91Å; D683-W690 HydrophobicContact CB-CZ3 3.66Å; N688-W690 HydrophobicContact CB-CE3 4.46Å; N688-W690 HydrophobicContact CB-CH2 3.38Å; N688-W690 HydrophobicContact CB-CZ2 3.65Å; N688-W690 HydrophobicContact CB-CZ3 3.83Å; W690-F692 HydrophobicContact CB-CE2 3.87Å; W690-F692 HydrophobicContact CB-CZ 4.29Å
691	H	90.2	Very high	89.1	Confident	31 Å²	31	40.5 Å²	40.5	14%	0.144	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.3	-179.8	-68.7	-38.2	0	0	0	109.7	K678 T680 F693 A714 I719	K678-H691 WeakPolarHBondContact CE-ND1 3.42Å; K678-H691 PolarHBondContact NZ-CE1 3.42Å; K678-H691 PolarHBondContact NZ-ND1 2.98Å; T680-H691 WeakPolarHBondContact CG2-ND1 3.42Å; H691-F693 HydrophobicContact CB-CZ 4.43Å; H691-A714 HydrophobicContact CB-CB 4.28Å; H691-A714 WeakPolarHBondContact O-CB 3.38Å; H691-A714 PolarHBondContact O-N 3.4Å; H691-I719 HydrophobicContact CB-CD1 4.32Å; H691-I719 HydrophobicContact CB-CG1 4.34Å
692	F	92.5	Very high	88.7	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	108.5	176.1	-59.4	-94	0	0	0	107.6	L658 L661 K678 V679 I681 W690 C694 F711 N712	L658-F692 HydrophobicContact CB-CZ 4.36Å; L661-F692 HydrophobicContact CB-CD1 3.58Å; L661-F692 HydrophobicContact CB-CD2 4.26Å; L661-F692 HydrophobicContact CB-CE1 3.58Å; L661-F692 HydrophobicContact CB-CE2 4.27Å; L661-F692 HydrophobicContact CB-CG 3.94Å; L661-F692 HydrophobicContact CB-CZ 3.95Å; L661-F692 HydrophobicContact CD2-CB 4.12Å; L661-F692 HydrophobicContact CD2-CD1 4.41Å; L661-F692 HydrophobicContact CD2-CD2 4.06Å; L661-F692 HydrophobicContact CD2-CG 3.93Å; K678-F692 CarbonylContact C-O 3.57Å; K678-F692 WeakPolarHBondContact CA-O 3.46Å; K678-F692 WeakPolarHBondContact CG-O 3.1Å; V679-F692 HydrophobicContact CB-CB 4.26Å; V679-F692 PolarHBondContact N-O 2.84Å; V679-F692 PolarHBondContact O-N 3.35Å; I681-F692 HydrophobicContact CB-CE2 4.45Å; I681-F692 HydrophobicContact CD1-CD2 4.3Å; I681-F692 HydrophobicContact CD1-CE2 3.71Å; I681-F692 HydrophobicContact CD1-CZ 4.42Å; I681-F692 HydrophobicContact CG1-CD2 4.46Å; I681-F692 HydrophobicContact CG1-CE2 4.1Å; W690-F692 HydrophobicContact CB-CE2 3.87Å; W690-F692 HydrophobicContact CB-CZ 4.29Å; F692-C694 PolarHBondContact O-N 3.14Å; F692-F711 HydrophobicContact CB-CB 4.28Å; F692-F711 HydrophobicContact CD1-CB 4.1Å; F692-F711 WeakPolarHBondContact CD1-O 3.42Å; F692-N712 VanDerWaalsContact CD1-C 3.48Å; F692-N712 WeakPolarHBondContact CD1-O 3.23Å
693	F	89.3	Confident	88.6	Confident	66 Å²	66	46.2 Å²	46.2	29%	0.289	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	94.5	179.2	-63.4	-63.5	0	0	0	109.7	K678 H691 A714 I719	K678-F693 HydrophobicContact CD-CD1 4.05Å; K678-F693 HydrophobicContact CD-CE1 3.84Å; K678-F693 HydrophobicContact CG-CD1 4.02Å; K678-F693 HydrophobicContact CG-CE1 4.3Å; H691-F693 HydrophobicContact CB-CZ 4.43Å; F693-A714 HydrophobicContact CD2-CB 3.57Å; F693-A714 HydrophobicContact CE2-CB 3.56Å; F693-I719 HydrophobicContact CE2-CG1 4.15Å; F693-I719 HydrophobicContact CZ-CG1 4.43Å
694	C	90.7	Very high	88.5	Confident	13 Å²	13	50.6 Å²	50.6	9%	0.088	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	-53.9	-174.1	-57	0	0	0	0	112.6	V676 S677 F692 C696 F711	V676-C694 HydrophobicContact CB-CB 3.94Å; V676-C694 HydrophobicContact CG1-CB 3.81Å; V676-C694 WeakPolarHBondContact O-CB 3.39Å; S677-C694 PolarHBondContact O-N 3.43Å; S677-C694 VanDerWaalsContact O-N 3.08Å; F692-C694 PolarHBondContact O-N 3.14Å; C694-C696 PolarHBondContact O-N 3.01Å; C694-C696 VanDerWaalsContact O-N 3.07Å; C694-F711 HydrophobicContact CB-CD1 3.98Å; C694-F711 HydrophobicContact CB-CE1 3.54Å; C694-F711 HydrophobicContact CB-CE2 4.41Å; C694-F711 HydrophobicContact CB-CZ 3.78Å
695	N	89.6	Confident	88.6	Confident	84 Å²	84	50.7 Å²	50.7	45%	0.449	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	37.4	45.3	-178.3	-66.5	-43.7	0	0	0	115.5	Y675 V676 S677	Y675-N695 PolarHBondContact OH-O 2.91Å; V676-N695 VanDerWaalsContact O-CA 3.26Å; V676-N695 WeakPolarHBondContact O-CA 3.36Å; V676-N695 PolarHBondContact O-N 2.65Å; S677-N695 PolarHBondContact O-N 3.48Å; S677-N695 PolarHBondContact O-OD1 3.34Å; S677-N695 PolarHBondContact OG-OD1 3.21Å; S677-N695 VanDerWaalsContact OG-OD1 3.1Å
696	C	92.9	Very high	88.9	Confident	27 Å²	27	53 Å²	53	18%	0.182	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	163	-176.9	69.2	0	0	0	0	112.7	V676 C694	V676-C696 PolarHBondContact N-O 3.36Å; V676-C696 PolarHBondContact O-N 2.76Å; C694-C696 PolarHBondContact O-N 3.01Å; C694-C696 VanDerWaalsContact O-N 3.07Å
697	W	93.9	Very high	89.4	Confident	34 Å²	34	51.4 Å²	51.4	13%	0.129	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	135.8	169.9	-68.1	103	0	0	0	110.1	R606 G608 A609 W674 Y675 Q702 K709	R606-W697 HydrophobicContact CB-CZ2 4.39Å; G608-W697 WeakPolarHBondContact O-CZ3 3.47Å; A609-W697 HydrophobicContact CB-CH2 4.45Å; W674-W697 CarbonylContact O-C 3.57Å; W674-W697 WeakPolarHBondContact O-CA 3.46Å; Y675-W697 AromaticContact CD2-CD1 3.82Å; Y675-W697 AromaticContact CD2-CD2 3.74Å; Y675-W697 HydrophobicContact CD2-CD2 3.74Å; Y675-W697 AromaticContact CD2-CE2 3.63Å; Y675-W697 HydrophobicContact CD2-CE3 4.41Å; Y675-W697 AromaticContact CD2-CG 3.85Å; Y675-W697 HydrophobicContact CD2-CG 3.85Å; Y675-W697 HydrophobicContact CD2-CZ2 4.2Å; Y675-W697 AromaticContact CD2-NE1 3.71Å; Y675-W697 HydrophobicContact CG-CD2 4.32Å; W697-Q702 HydrophobicContact CB-CB 4.48Å; W697-Q702 HydrophobicContact CD2-CB 4.35Å; W697-Q702 HydrophobicContact CG-CB 4.27Å; W697-K709 PolarHBondContact O-NZ 2.92Å
698	L	94.5	Very high	90.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	102.1	161.8	-78.9	164.8	0	0	0	105.5	L663 H665 W674 V676 M706 K709	L663-L698 HydrophobicContact CB-CD1 4.05Å; L663-L698 HydrophobicContact CD1-CD1 4.47Å; H665-L698 PolarHBondContact NE2-O 3.46Å; H665-L698 VanDerWaalsContact NE2-O 3.09Å; W674-L698 HydrophobicContact CB-CB 4.43Å; W674-L698 HydrophobicContact CE3-CB 4.39Å; W674-L698 HydrophobicContact CE3-CD1 3.66Å; W674-L698 HydrophobicContact CZ3-CD1 3.81Å; W674-L698 PolarHBondContact N-O 2.83Å; W674-L698 PolarHBondContact O-N 2.8Å; V676-L698 HydrophobicContact CG2-CD1 3.69Å; L698-M706 WeakPolarHBondContact CA-O 3.41Å; L698-K709 HydrophobicContact CD2-CB 3.94Å; L698-K709 HydrophobicContact CD2-CD 3.84Å; L698-K709 HydrophobicContact CD2-CG 3.67Å
699	S	92.6	Very high	90.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.276	C	S	.	.			trans	-168.3	145.2	-166	156.6	0	0	0	0	109.2	H665 D701 Q702 G705 M706	H665-S699 PolarHBondContact NE2-N 3.07Å; S699-D701 PolarHBondContact OG-N 3.03Å; S699-D701 VanDerWaalsContact OG-N 3.1Å; S699-D701 PolarHBondContact OG-OD1 3.02Å; S699-Q702 WeakPolarHBondContact OG-CB 3.41Å; S699-Q702 PolarHBondContact OG-N 3.31Å; S699-G705 CarbonylContact O-C 3.6Å; S699-G705 WeakPolarHBondContact O-CA 3.27Å; S699-M706 PolarHBondContact N-O 3.34Å; S699-M706 PolarHBondContact O-N 3.24Å
700	S	91.1	Very high	91.1	Very high	63 Å²	63	49.7 Å²	49.7	44%	0.441	29%	0.285	S	S	.	.	S	Bend	trans	-77.8	-23.4	172.6	55.5	0	0	0	0	113	N667	N667-S700 PolarHBondContact ND2-OG 3.3Å; N667-S700 VanDerWaalsContact ND2-OG 3.12Å; N667-S700 PolarHBondContact OD1-OG 3.48Å
701	D	87.9	Confident	91.4	Very high	102 Å²	102	49.7 Å²	49.7	55%	0.545	29%	0.285	S	S	.	.	S	Bend	trans	-109.9	-16.6	-169.2	62.6	-53	0	0	0	114.2	S673 S699	S673-D701 PolarHBondContact OG-OD1 3.01Å; S673-D701 PolarHBondContact OG-OD2 3.03Å; S699-D701 PolarHBondContact OG-N 3.03Å; S699-D701 VanDerWaalsContact OG-N 3.1Å; S699-D701 PolarHBondContact OG-OD1 3.02Å
702	Q	85.5	Confident	91.5	Very high	73 Å²	73	53.7 Å²	53.7	34%	0.341	31%	0.308	S	S	.	.	S	Bend	trans	-130.9	154.5	-175.3	-59.4	-175.6	34.4	0	0	112.4	W697 S699 D704 G705	W697-Q702 HydrophobicContact CB-CB 4.48Å; W697-Q702 HydrophobicContact CD2-CB 4.35Å; W697-Q702 HydrophobicContact CG-CB 4.27Å; S699-Q702 WeakPolarHBondContact OG-CB 3.41Å; S699-Q702 PolarHBondContact OG-N 3.31Å; Q702-D704 PolarHBondContact O-N 2.73Å; Q702-G705 PolarHBondContact O-N 3.1Å
703	G	86.8	Confident	91.5	Very high	69 Å²	69	55.1 Å²	55.1	71%	0.711	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	-123.1	179.3	0	0	0	0	0	112
704	D	88.5	Confident	91.4	Very high	95 Å²	95	52.5 Å²	52.5	51%	0.508	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	8.7	179	60.5	-8.8	0	0	0	113.4	Q702 M706 K709	Q702-D704 PolarHBondContact O-N 2.73Å; D704-M706 PolarHBondContact O-N 3.09Å; D704-M706 PolarHBondContact OD1-N 3.15Å; D704-K709 VanDerWaalsContact CG-CE 3.46Å; D704-K709 WeakPolarHBondContact OD1-CE 3.03Å; D704-K709 IonicContact OD1-NZ 2.67Å; D704-K709 PolarHBondContact OD1-NZ 2.85Å; D704-K709 WeakPolarHBondContact OD2-CE 3.18Å; D704-K709 IonicContact OD2-NZ 2.91Å; D704-K709 PolarHBondContact OD2-NZ 3.34Å
705	G	88.2	Confident	91.1	Very high	37 Å²	37	58.6 Å²	58.6	38%	0.381	33%	0.333	S	S	.	.	S	Bend	trans	71	11.7	176.5	0	0	0	0	0	114.7	S699 Q702	S699-G705 CarbonylContact O-C 3.6Å; S699-G705 WeakPolarHBondContact O-CA 3.27Å; Q702-G705 PolarHBondContact O-N 3.1Å
706	M	91.1	Very high	90.3	Very high	98 Å²	98	59.4 Å²	59.4	48%	0.483	35%	0.346	S	S	.	.			trans	-100.5	124.2	-175.6	-65.8	-68.3	-72.9	0	0	111.4	L698 S699 D704 K709	L698-M706 WeakPolarHBondContact CA-O 3.41Å; S699-M706 PolarHBondContact N-O 3.34Å; S699-M706 PolarHBondContact O-N 3.24Å; D704-M706 PolarHBondContact O-N 3.09Å; D704-M706 PolarHBondContact OD1-N 3.15Å; M706-K709 HydrophobicContact CB-CG 4.39Å
707	T	92.6	Very high	89.4	Confident	41 Å²	41	63.4 Å²	63.4	25%	0.252	37%	0.365	S	S	.	.	S	Bend	trans	-91.4	-3.2	175.2	62	0	0	0	0	113.7	Q664 H665	Q664-T707 CarbonylContact C-O 3.55Å; Q664-T707 VanDerWaalsContact CA-O 3.28Å; Q664-T707 WeakPolarHBondContact CA-O 3.33Å; H665-T707 PolarHBondContact CD2-O 2.76Å; H665-T707 VanDerWaalsContact CD2-O 3.24Å; H665-T707 VanDerWaalsContact CE1-CG2 3.44Å; H665-T707 WeakPolarHBondContact CE1-CG2 3.22Å; H665-T707 PolarHBondContact N-O 3.19Å; H665-T707 WeakPolarHBondContact NE2-CA 3.22Å; H665-T707 VanDerWaalsContact NE2-CB 3.27Å; H665-T707 WeakPolarHBondContact NE2-CB 3.43Å; H665-T707 WeakPolarHBondContact NE2-CG2 3.35Å
708	K	94.8	Very high	88.5	Confident	83 Å²	83	66 Å²	66	36%	0.361	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	126.7	-179.9	176.4	178.1	-170	165.8	0	110.5	L663 Q664	L663-K708 WeakPolarHBondContact O-CA 3.44Å; Q664-K708 HydrophobicContact CB-CB 4.07Å; Q664-K708 HydrophobicContact CB-CG 4.03Å; Q664-K708 HydrophobicContact CG-CB 3.99Å; Q664-K708 HydrophobicContact CG-CD 4.48Å; Q664-K708 HydrophobicContact CG-CG 4.27Å; Q664-K708 VanDerWaalsContact OE1-CD 3.32Å
709	K	95.3	Very high	87.4	Confident	30 Å²	30	67.8 Å²	67.8	13%	0.13	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	151.8	177.8	-67.9	-178.4	-176.7	174.2	0	112.7	R662 L663 W697 L698 D704 M706 F711	R662-K709 CarbonylContact C-O 3.6Å; R662-K709 WeakPolarHBondContact CA-O 3.44Å; L663-K709 PolarHBondContact N-O 3.4Å; L663-K709 PolarHBondContact O-N 3.24Å; W697-K709 PolarHBondContact O-NZ 2.92Å; L698-K709 HydrophobicContact CD2-CB 3.94Å; L698-K709 HydrophobicContact CD2-CD 3.84Å; L698-K709 HydrophobicContact CD2-CG 3.67Å; D704-K709 VanDerWaalsContact CG-CE 3.46Å; D704-K709 WeakPolarHBondContact OD1-CE 3.03Å; D704-K709 IonicContact OD1-NZ 2.67Å; D704-K709 PolarHBondContact OD1-NZ 2.85Å; D704-K709 WeakPolarHBondContact OD2-CE 3.18Å; D704-K709 IonicContact OD2-NZ 2.91Å; D704-K709 PolarHBondContact OD2-NZ 3.34Å; M706-K709 HydrophobicContact CB-CG 4.39Å; K709-F711 HydrophobicContact CB-CE1 4.48Å; K709-F711 HydrophobicContact CB-CE2 3.84Å; K709-F711 HydrophobicContact CB-CZ 3.79Å; K709-F711 HydrophobicContact CD-CZ 4.12Å
710	T	95.8	Very high	86.2	Confident	75 Å²	75	70 Å²	70	46%	0.46	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	128.9	171.7	-54.8	0	0	0	0	108.8	N660 L661	N660-T710 HydrophobicContact CB-CG2 3.71Å; L661-T710 CarbonylContact O-C 3.59Å; L661-T710 WeakPolarHBondContact O-CA 3.49Å
711	F	95.1	Very high	85.5	Confident	22 Å²	22	68.7 Å²	68.7	10%	0.096	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	137.8	-179.2	-59.9	-80.3	0	0	0	109.9	N660 L661 L663 F692 C694 K709	N660-F711 CarbonylContact C-O 3.47Å; N660-F711 VanDerWaalsContact CA-O 3.25Å; N660-F711 WeakPolarHBondContact CA-O 3.4Å; L661-F711 HydrophobicContact CB-CB 4.48Å; L661-F711 PolarHBondContact N-O 2.83Å; L661-F711 PolarHBondContact O-N 2.93Å; L663-F711 HydrophobicContact CB-CE2 4.16Å; L663-F711 HydrophobicContact CD1-CD2 4.21Å; L663-F711 HydrophobicContact CD1-CE2 3.84Å; L663-F711 HydrophobicContact CG-CD2 4.43Å; L663-F711 HydrophobicContact CG-CE2 4.25Å; F692-F711 HydrophobicContact CB-CB 4.28Å; F692-F711 HydrophobicContact CD1-CB 4.1Å; F692-F711 WeakPolarHBondContact CD1-O 3.42Å; C694-F711 HydrophobicContact CB-CD1 3.98Å; C694-F711 HydrophobicContact CB-CE1 3.54Å; C694-F711 HydrophobicContact CB-CE2 4.41Å; C694-F711 HydrophobicContact CB-CZ 3.78Å; K709-F711 HydrophobicContact CB-CE1 4.48Å; K709-F711 HydrophobicContact CB-CE2 3.84Å; K709-F711 HydrophobicContact CB-CZ 3.79Å; K709-F711 HydrophobicContact CD-CZ 4.12Å
712	N	93.8	Very high	84.9	Confident	116 Å²	116	68.7 Å²	68.7	62%	0.62	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	148.7	176.7	-57.8	-23.7	0	0	0	110.2	N660 F692 A714	N660-N712 PolarHBondContact OD1-OD1 3.25Å; F692-N712 VanDerWaalsContact CD1-C 3.48Å; F692-N712 WeakPolarHBondContact CD1-O 3.23Å; N712-A714 PolarHBondContact O-N 3.12Å
713	S	91.8	Very high	84.4	Confident	29 Å²	29	73.9 Å²	73.9	20%	0.203	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-63.8	131.8	172.9	-174.2	0	0	0	0	110.6	L658 K659	L658-S713 VanDerWaalsContact O-CB 3.3Å; L658-S713 WeakPolarHBondContact O-CB 3.48Å; K659-S713 WeakPolarHBondContact O-CB 3.5Å; K659-S713 PolarHBondContact O-N 3.37Å
714	A	86.8	Confident	83.7	Confident	12 Å²	12	72.2 Å²	72.2	10%	0.099	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-70.7	137.6	-178.5	0	0	0	0	0	110.9	H691 F693 N712 I719	H691-A714 HydrophobicContact CB-CB 4.28Å; H691-A714 WeakPolarHBondContact O-CB 3.38Å; H691-A714 PolarHBondContact O-N 3.4Å; F693-A714 HydrophobicContact CD2-CB 3.57Å; F693-A714 HydrophobicContact CE2-CB 3.56Å; N712-A714 PolarHBondContact O-N 3.12Å; A714-I719 HydrophobicContact CB-CD1 4.3Å; A714-I719 HydrophobicContact CB-CG1 3.93Å
715	K	83.8	Confident	82.9	Confident	140 Å²	140	68.8 Å²	68.8	61%	0.609	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-75.1	155	177.9	-65.1	177	-178.2	175.7	0	111	N717 E718 I719	K715-N717 WeakPolarHBondContact CB-OD1 3.38Å; K715-N717 PolarHBondContact O-N 2.81Å; K715-E718 HydrophobicContact CB-CG 4.37Å; K715-E718 PolarHBondContact N-OE2 2.94Å; K715-E718 WeakPolarHBondContact O-CB 3.25Å; K715-E718 PolarHBondContact O-N 2.72Å; K715-I719 WeakPolarHBondContact O-CG1 3.36Å; K715-I719 PolarHBondContact O-N 3.16Å
716	S	74.4	Confident	82.4	Confident	101 Å²	101	69.9 Å²	69.9	71%	0.706	36%	0.359	S	S	*	.	H	α-helix	trans	-55.1	-36.9	-179.2	-173.8	0	0	0	0	113.4	I719 A720	S716-I719 PolarHBondContact O-N 2.83Å; S716-A720 VanDerWaalsContact O-CB 3.27Å; S716-A720 WeakPolarHBondContact O-CB 3.23Å; S716-A720 PolarHBondContact O-N 2.98Å
717	N	73.8	Confident	81.6	Confident	111 Å²	111	71 Å²	71	59%	0.594	36%	0.364	S	S	*	.	H	α-helix	trans	-68.8	-33.3	175.2	62.4	-27.1	0	0	0	113.7	K715 S721	K715-N717 WeakPolarHBondContact CB-OD1 3.38Å; K715-N717 PolarHBondContact O-N 2.81Å; N717-S721 PolarHBondContact O-N 2.94Å
718	E	74.4	Confident	80.6	Confident	89 Å²	89	72.3 Å²	72.3	42%	0.416	37%	0.374	S	S	.	.	H	α-helix	trans	-71.9	-39.8	175.4	-66.8	172.2	175.1	0	0	111	K715 A720 S721 N724	K715-E718 HydrophobicContact CB-CG 4.37Å; K715-E718 PolarHBondContact N-OE2 2.94Å; K715-E718 WeakPolarHBondContact O-CB 3.25Å; K715-E718 PolarHBondContact O-N 2.72Å; E718-A720 VanDerWaalsContact C-N 3.34Å; E718-S721 WeakPolarHBondContact O-CB 3.38Å; E718-S721 PolarHBondContact O-N 2.99Å; E718-S721 PolarHBondContact O-OG 3.14Å; E718-N724 PolarHBondContact O-ND2 2.71Å
719	I	71	Confident	79.7	Confident	38 Å²	38	72.6 Å²	72.6	20%	0.195	37%	0.373	C	S	.	.	H	α-helix	trans	-63.8	-41.4	174.3	-61.2	163.2	0	0	0	110.5	H691 F693 A714 K715 S716 S721	H691-I719 HydrophobicContact CB-CD1 4.32Å; H691-I719 HydrophobicContact CB-CG1 4.34Å; F693-I719 HydrophobicContact CE2-CG1 4.15Å; F693-I719 HydrophobicContact CZ-CG1 4.43Å; A714-I719 HydrophobicContact CB-CD1 4.3Å; A714-I719 HydrophobicContact CB-CG1 3.93Å; K715-I719 WeakPolarHBondContact O-CG1 3.36Å; K715-I719 PolarHBondContact O-N 3.16Å; S716-I719 PolarHBondContact O-N 2.83Å; I719-S721 VanDerWaalsContact C-N 3.3Å; I719-S721 PolarHBondContact O-N 2.87Å
720	A	67.3	Low	78.9	Confident	46 Å²	46	72.1 Å²	72.1	38%	0.38	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-1.7	179.6	0	0	0	0	0	114.2	S716 E718 F722 I725	S716-A720 VanDerWaalsContact O-CB 3.27Å; S716-A720 WeakPolarHBondContact O-CB 3.23Å; S716-A720 PolarHBondContact O-N 2.98Å; E718-A720 VanDerWaalsContact C-N 3.34Å; A720-F722 PolarHBondContact O-N 3.37Å; A720-I725 WeakPolarHBondContact O-CD1 3.37Å
721	S	77	Confident	78	Confident	36 Å²	36	71.6 Å²	71.6	25%	0.252	37%	0.372	S	S	.	.			trans	-62.8	133.8	-178.2	67.9	0	0	0	0	110.8	N717 E718 I719 R723 N724 I725	N717-S721 PolarHBondContact O-N 2.94Å; E718-S721 WeakPolarHBondContact O-CB 3.38Å; E718-S721 PolarHBondContact O-N 2.99Å; E718-S721 PolarHBondContact O-OG 3.14Å; I719-S721 VanDerWaalsContact C-N 3.3Å; I719-S721 PolarHBondContact O-N 2.87Å; S721-R723 PolarHBondContact O-N 3.29Å; S721-R723 VanDerWaalsContact O-N 3.15Å; S721-N724 PolarHBondContact O-N 3.28Å; S721-N724 WeakPolarHBondContact OG-CB 3.35Å; S721-N724 VanDerWaalsContact OG-CG 3.26Å; S721-N724 PolarHBondContact OG-ND2 2.85Å; S721-N724 VanDerWaalsContact OG-ND2 3.14Å; S721-I725 PolarHBondContact O-N 3.22Å
722	F	74.9	Confident	76.8	Confident	101 Å²	101	73.4 Å²	73.4	44%	0.443	39%	0.385	S	S	.	.	H	α-helix	trans	-49.6	-44.3	-179.2	175.3	-93.2	0	0	0	111.7	A720 N724 I725 F726 A1045 L1046	A720-F722 PolarHBondContact O-N 3.37Å; F722-N724 PolarHBondContact O-N 2.97Å; F722-I725 PolarHBondContact O-N 2.93Å; F722-F726 HydrophobicContact CD1-CB 4.33Å; F722-F726 HydrophobicContact CE1-CB 4.02Å; F722-F726 HydrophobicContact CE1-CG 4.18Å; F722-F726 HydrophobicContact CZ-CB 4.11Å; F722-F726 HydrophobicContact CZ-CD2 4.24Å; F722-F726 HydrophobicContact CZ-CG 4.19Å; F722-F726 WeakPolarHBondContact O-CB 3.26Å; F722-F726 PolarHBondContact O-N 2.75Å; F722-A1045 HydrophobicContact CD2-CB 3.81Å; F722-A1045 HydrophobicContact CE2-CB 3.62Å; F722-A1045 HydrophobicContact CZ-CB 4.5Å; F722-L1046 HydrophobicContact CD2-CD2 4.14Å; F722-L1046 HydrophobicContact CE2-CD2 3.89Å; F722-L1046 HydrophobicContact CE2-CG 4.18Å
723	R	75.6	Confident	76	Confident	182 Å²	182	68.1 Å²	68.1	69%	0.687	36%	0.358	S	S	*	.	H	α-helix	trans	-56.9	-46.2	179.1	-172.7	178	72.9	168.3	-0	112.3	S721 Q727	S721-R723 PolarHBondContact O-N 3.29Å; S721-R723 VanDerWaalsContact O-N 3.15Å; R723-Q727 WeakPolarHBondContact O-CB 3.19Å; R723-Q727 PolarHBondContact O-N 3.45Å
724	N	71.1	Confident	75.4	Confident	34 Å²	34	69.4 Å²	69.4	18%	0.182	36%	0.36	C	S	.	.	H	α-helix	trans	-72.9	-39.6	-177.3	-70.8	-12.8	0	0	0	111.6	E718 S721 F722 S728	E718-N724 PolarHBondContact O-ND2 2.71Å; S721-N724 PolarHBondContact O-N 3.28Å; S721-N724 WeakPolarHBondContact OG-CB 3.35Å; S721-N724 VanDerWaalsContact OG-CG 3.26Å; S721-N724 PolarHBondContact OG-ND2 2.85Å; S721-N724 VanDerWaalsContact OG-ND2 3.14Å; F722-N724 PolarHBondContact O-N 2.97Å; N724-S728 WeakPolarHBondContact O-CB 3.48Å; N724-S728 PolarHBondContact O-N 3Å; N724-S728 VanDerWaalsContact O-N 3.08Å
725	I	72.3	Confident	75	Confident	23 Å²	23	70.6 Å²	70.6	12%	0.118	36%	0.362	C	S	.	.	H	α-helix	trans	-65.9	-51.4	175.4	-61.6	176.3	0	0	0	110	A720 S721 F722 S728 R729 A1045	A720-I725 WeakPolarHBondContact O-CD1 3.37Å; S721-I725 PolarHBondContact O-N 3.22Å; F722-I725 PolarHBondContact O-N 2.93Å; I725-S728 PolarHBondContact O-N 2.89Å; I725-R729 HydrophobicContact CG2-CG 4Å; I725-R729 VanDerWaalsContact O-CB 3.23Å; I725-R729 WeakPolarHBondContact O-CB 3.35Å; I725-R729 WeakPolarHBondContact O-CG 3.06Å; I725-R729 PolarHBondContact O-N 2.83Å; I725-A1045 HydrophobicContact CB-CB 4.45Å; I725-A1045 HydrophobicContact CG2-CB 3.95Å
726	F	76.9	Confident	74.5	Confident	60 Å²	60	66 Å²	66	26%	0.263	34%	0.344	S	S	.	.	H	α-helix	trans	-59.3	-52.1	179.3	176.8	-104.3	0	0	0	111.4	F722 S728 R729 T730 A1041 V1042 A1045	F722-F726 HydrophobicContact CD1-CB 4.33Å; F722-F726 HydrophobicContact CE1-CB 4.02Å; F722-F726 HydrophobicContact CE1-CG 4.18Å; F722-F726 HydrophobicContact CZ-CB 4.11Å; F722-F726 HydrophobicContact CZ-CD2 4.24Å; F722-F726 HydrophobicContact CZ-CG 4.19Å; F722-F726 WeakPolarHBondContact O-CB 3.26Å; F722-F726 PolarHBondContact O-N 2.75Å; F726-S728 VanDerWaalsContact C-N 3.33Å; F726-S728 PolarHBondContact O-N 2.89Å; F726-R729 PolarHBondContact O-N 2.86Å; F726-T730 VanDerWaalsContact CE2-OG1 3.26Å; F726-T730 WeakPolarHBondContact CE2-OG1 3.16Å; F726-T730 WeakPolarHBondContact CZ-OG1 3.21Å; F726-T730 VanDerWaalsContact O-CB 3.24Å; F726-T730 WeakPolarHBondContact O-CB 3.4Å; F726-T730 PolarHBondContact O-N 2.95Å; F726-T730 PolarHBondContact O-OG1 3.14Å; F726-A1041 HydrophobicContact CD2-CB 4.25Å; F726-A1041 HydrophobicContact CE2-CB 4.23Å; F726-V1042 HydrophobicContact CD2-CG2 4.06Å; F726-V1042 HydrophobicContact CE2-CG2 3.58Å; F726-A1045 HydrophobicContact CB-CB 4.21Å
727	Q	76	Confident	74.5	Confident	122 Å²	122	63.4 Å²	63.4	57%	0.57	32%	0.32	S	S	*	.	H	α-helix	trans	-61.1	-42.1	-179.2	-174.1	177.8	3.5	0	0	112.1	R723 S731	R723-Q727 WeakPolarHBondContact O-CB 3.19Å; R723-Q727 PolarHBondContact O-N 3.45Å; Q727-S731 WeakPolarHBondContact O-CB 3.07Å; Q727-S731 PolarHBondContact O-N 3.21Å
728	S	71	Confident	75.1	Confident	68 Å²	68	58.4 Å²	58.4	48%	0.476	29%	0.294	S	S	.	.	H	α-helix	trans	-63.9	-47.8	176	-178.8	0	0	0	0	111.6	N724 I725 F726 T732	N724-S728 WeakPolarHBondContact O-CB 3.48Å; N724-S728 PolarHBondContact O-N 3Å; N724-S728 VanDerWaalsContact O-N 3.08Å; I725-S728 PolarHBondContact O-N 2.89Å; F726-S728 VanDerWaalsContact C-N 3.33Å; F726-S728 PolarHBondContact O-N 2.89Å; S728-T732 WeakPolarHBondContact O-CB 3.18Å; S728-T732 WeakPolarHBondContact O-CG2 3.38Å; S728-T732 PolarHBondContact O-N 3.23Å; S728-T732 PolarHBondContact O-OG1 3.01Å
729	R	75.6	Confident	75.3	Confident	90 Å²	90	54.3 Å²	54.3	34%	0.34	28%	0.275	S	S	.	.	H	α-helix	trans	-67.3	-39.8	-179.6	-71.5	-66.7	-179.1	-166.4	-1.4	112.9	I725 F726 T732 G733 A1041	I725-R729 HydrophobicContact CG2-CG 4Å; I725-R729 VanDerWaalsContact O-CB 3.23Å; I725-R729 WeakPolarHBondContact O-CB 3.35Å; I725-R729 WeakPolarHBondContact O-CG 3.06Å; I725-R729 PolarHBondContact O-N 2.83Å; F726-R729 PolarHBondContact O-N 2.86Å; R729-T732 PolarHBondContact O-OG1 3.04Å; R729-G733 VanDerWaalsContact O-CA 3.27Å; R729-G733 WeakPolarHBondContact O-CA 3.29Å; R729-G733 PolarHBondContact O-N 3.02Å; R729-A1041 HydrophobicContact CB-CB 3.99Å
730	T	78	Confident	75.9	Confident	20 Å²	20	55.5 Å²	55.5	12%	0.123	28%	0.277	C	S	.	.	H	α-helix	trans	-67.9	-47.7	176.9	-58.9	0	0	0	0	110.4	F726 T732 G733 F734 A1041	F726-T730 VanDerWaalsContact CE2-OG1 3.26Å; F726-T730 WeakPolarHBondContact CE2-OG1 3.16Å; F726-T730 WeakPolarHBondContact CZ-OG1 3.21Å; F726-T730 VanDerWaalsContact O-CB 3.24Å; F726-T730 WeakPolarHBondContact O-CB 3.4Å; F726-T730 PolarHBondContact O-N 2.95Å; F726-T730 PolarHBondContact O-OG1 3.14Å; T730-T732 PolarHBondContact O-N 3.35Å; T730-G733 PolarHBondContact O-N 3.08Å; T730-F734 HydrophobicContact CG2-CD2 3.71Å; T730-F734 HydrophobicContact CG2-CE2 3.5Å; T730-F734 VanDerWaalsContact CG2-CE2 3.5Å; T730-F734 WeakPolarHBondContact O-CD2 3.33Å; T730-F734 PolarHBondContact O-N 3.01Å; T730-A1041 VanDerWaalsContact OG1-CB 3.24Å; T730-A1041 WeakPolarHBondContact OG1-CB 3.39Å
731	S	77	Confident	76.7	Confident	64 Å²	64	56.3 Å²	56.3	45%	0.448	28%	0.277	S	S	.	.	H	α-helix	trans	-62.7	-44.1	178.6	-178.5	0	0	0	0	112.6	Q727 R735	Q727-S731 WeakPolarHBondContact O-CB 3.07Å; Q727-S731 PolarHBondContact O-N 3.21Å; S731-R735 WeakPolarHBondContact O-CG 3.45Å; S731-R735 PolarHBondContact O-N 3.36Å
732	T	71.4	Confident	77	Confident	60 Å²	60	54.6 Å²	54.6	37%	0.368	27%	0.265	S	S	.	.	H	α-helix	trans	-72.4	-36.9	175.7	52.7	0	0	0	0	112.3	S728 R729 T730 R735 D736	S728-T732 WeakPolarHBondContact O-CB 3.18Å; S728-T732 WeakPolarHBondContact O-CG2 3.38Å; S728-T732 PolarHBondContact O-N 3.23Å; S728-T732 PolarHBondContact O-OG1 3.01Å; R729-T732 PolarHBondContact O-OG1 3.04Å; T730-T732 PolarHBondContact O-N 3.35Å; T732-R735 CarbonylContact O-C 3.59Å; T732-R735 PolarHBondContact O-N 3.48Å; T732-R735 VanDerWaalsContact O-N 3.14Å; T732-D736 WeakPolarHBondContact O-CB 3.46Å; T732-D736 PolarHBondContact O-N 3.45Å
733	G	75.1	Confident	77.6	Confident	4 Å²	4	50.9 Å²	50.9	4%	0.041	25%	0.249	C	C	.	.	H	α-helix	trans	-63.5	-41.7	176.5	0	0	0	0	0	112.5	R729 T730 R735 D736 E737 H738 V1037	R729-G733 VanDerWaalsContact O-CA 3.27Å; R729-G733 WeakPolarHBondContact O-CA 3.29Å; R729-G733 PolarHBondContact O-N 3.02Å; T730-G733 PolarHBondContact O-N 3.08Å; G733-R735 PolarHBondContact O-N 3.49Å; G733-D736 PolarHBondContact O-N 3.36Å; G733-E737 WeakPolarHBondContact O-CA 3.4Å; G733-E737 WeakPolarHBondContact O-CB 3.27Å; G733-E737 PolarHBondContact O-N 3.4Å; G733-H738 PolarHBondContact O-N 3.47Å; G733-V1037 VanDerWaalsContact C-CG1 3.43Å
734	F	80.6	Confident	78	Confident	56 Å²	56	47 Å²	47	25%	0.246	25%	0.246	C	C	.	.	H	α-helix	trans	-64.1	-32.9	173.2	-84.5	-68.7	0	0	0	112.3	T730 H738 P1034 V1037 I1038	T730-F734 HydrophobicContact CG2-CD2 3.71Å; T730-F734 HydrophobicContact CG2-CE2 3.5Å; T730-F734 VanDerWaalsContact CG2-CE2 3.5Å; T730-F734 WeakPolarHBondContact O-CD2 3.33Å; T730-F734 PolarHBondContact O-N 3.01Å; F734-H738 HydrophobicContact CD1-CB 4.21Å; F734-H738 VanDerWaalsContact O-CB 3.27Å; F734-H738 WeakPolarHBondContact O-CB 3.31Å; F734-P1034 HydrophobicContact CE1-CB 3.85Å; F734-P1034 HydrophobicContact CE1-CG 4.31Å; F734-P1034 HydrophobicContact CZ-CB 4.13Å; F734-V1037 HydrophobicContact CD1-CB 4.39Å; F734-V1037 HydrophobicContact CD1-CG1 4.14Å; F734-V1037 HydrophobicContact CD1-CG2 4.49Å; F734-V1037 HydrophobicContact CD2-CG1 3.93Å; F734-V1037 HydrophobicContact CE1-CB 4.26Å; F734-V1037 HydrophobicContact CE1-CG1 4.31Å; F734-V1037 HydrophobicContact CE2-CG1 4.1Å; F734-V1037 HydrophobicContact CG-CG1 3.93Å; F734-V1037 HydrophobicContact CZ-CB 4.4Å; F734-V1037 HydrophobicContact CZ-CG1 4.28Å; F734-I1038 HydrophobicContact CE2-CG1 4.18Å; F734-I1038 HydrophobicContact CZ-CD1 4.23Å; F734-I1038 HydrophobicContact CZ-CG1 4.02Å
735	R	77.1	Confident	78.3	Confident	37 Å²	37	48.1 Å²	48.1	14%	0.14	25%	0.252	C	S	.	.	H	α-helix	trans	-80.7	-26.5	178.8	-69.5	177.5	65.8	-173	11.6	113.4	H605 S731 T732 G733 S742 D745 P746 P747	H605-R735 PolarHBondContact NE2-NH1 3.02Å; H605-R735 VanDerWaalsContact NE2-NH1 3.18Å; S731-R735 WeakPolarHBondContact O-CG 3.45Å; S731-R735 PolarHBondContact O-N 3.36Å; T732-R735 CarbonylContact O-C 3.59Å; T732-R735 PolarHBondContact O-N 3.48Å; T732-R735 VanDerWaalsContact O-N 3.14Å; G733-R735 PolarHBondContact O-N 3.49Å; R735-S742 WeakPolarHBondContact O-CA 3.38Å; R735-S742 WeakPolarHBondContact O-CB 3.41Å; R735-D745 VanDerWaalsContact CB-O 3.28Å; R735-D745 WeakPolarHBondContact CB-O 3.15Å; R735-D745 VanDerWaalsContact CG-O 3.3Å; R735-D745 WeakPolarHBondContact CG-O 3.19Å; R735-D745 IonicContact CZ-OD1 3.33Å; R735-D745 IonicContact CZ-OD2 2.71Å; R735-D745 PolarHBondContact NE-O 3.19Å; R735-D745 VanDerWaalsContact NE-O 3.07Å; R735-D745 IonicContact NE-OD1 3.03Å; R735-D745 PolarHBondContact NE-OD1 3.46Å; R735-D745 IonicContact NE-OD2 2.69Å; R735-D745 PolarHBondContact NE-OD2 3.46Å; R735-D745 IonicContact NH2-OD1 2.81Å; R735-D745 PolarHBondContact NH2-OD1 3.13Å; R735-D745 IonicContact NH2-OD2 3.96Å; R735-P746 PolarHBondContact NH2-O 3.42Å; R735-P747 WeakPolarHBondContact O-CD 3.36Å
736	D	73.9	Confident	78.7	Confident	43 Å²	43	47.3 Å²	47.3	23%	0.23	25%	0.248	C	C	.	.	H	α-helix	trans	-109.5	-38.3	-175	-156.7	26.7	0	0	0	113.6	T732 G733 P747 S750 R757 R822	T732-D736 WeakPolarHBondContact O-CB 3.46Å; T732-D736 PolarHBondContact O-N 3.45Å; G733-D736 PolarHBondContact O-N 3.36Å; D736-P747 HydrophobicContact CB-CG 3.54Å; D736-S750 PolarHBondContact OD1-OG 2.89Å; D736-S750 VanDerWaalsContact OD1-OG 3.04Å; D736-R757 PolarHBondContact O-NH1 3.14Å; D736-R757 IonicContact OD1-CZ 3.25Å; D736-R757 IonicContact OD1-NH1 3.99Å; D736-R757 IonicContact OD1-NH2 3.33Å; D736-R757 PolarHBondContact OD1-NH2 3.32Å; D736-R822 PolarHBondContact O-NH2 2.95Å
737	E	75.1	Confident	78.6	Confident	47 Å²	47	45.7 Å²	45.7	22%	0.22	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-34.6	-174.1	-59.1	-175.9	-174.4	0	0	115.2	G733 I739 R822 V1037	G733-E737 WeakPolarHBondContact O-CA 3.4Å; G733-E737 WeakPolarHBondContact O-CB 3.27Å; G733-E737 PolarHBondContact O-N 3.4Å; E737-I739 PolarHBondContact O-N 3.32Å; E737-R822 VanDerWaalsContact CA-NH2 3.31Å; E737-V1037 HydrophobicContact CB-CG2 3.9Å
738	H	85	Confident	78.2	Confident	7 Å²	7	42.3 Å²	42.3	3%	0.032	23%	0.233	C	C	.	.	S	Bend	trans	-79	99.5	173.1	-165	-59	0	0	0	109.6	G733 F734 W740 V741 S742 I1029 Q1033 V1037	G733-H738 PolarHBondContact O-N 3.47Å; F734-H738 HydrophobicContact CD1-CB 4.21Å; F734-H738 VanDerWaalsContact O-CB 3.27Å; F734-H738 WeakPolarHBondContact O-CB 3.31Å; H738-W740 VanDerWaalsContact C-N 3.27Å; H738-W740 AromaticContact CE1-CD1 3.88Å; H738-W740 PolarHBondContact O-N 3.47Å; H738-W740 VanDerWaalsContact O-N 3.17Å; H738-V741 HydrophobicContact CB-CB 4.22Å; H738-V741 HydrophobicContact CB-CG2 4.43Å; H738-V741 PolarHBondContact ND1-N 3.35Å; H738-V741 PolarHBondContact O-N 3.12Å; H738-S742 VanDerWaalsContact O-CB 3.25Å; H738-S742 WeakPolarHBondContact O-CB 3.28Å; H738-S742 PolarHBondContact O-N 3.06Å; H738-S742 PolarHBondContact O-OG 3.3Å; H738-I1029 PolarHBondContact NE2-O 3.44Å; H738-I1029 VanDerWaalsContact NE2-O 3.15Å; H738-Q1033 PolarHBondContact CE1-OE1 3.36Å; H738-Q1033 VanDerWaalsContact CE1-OE1 3.26Å; H738-Q1033 PolarHBondContact ND1-OE1 2.74Å; H738-Q1033 VanDerWaalsContact ND1-OE1 3.09Å; H738-Q1033 WeakPolarHBondContact NE2-CB 3.36Å; H738-V1037 HydrophobicContact CB-CG2 4.1Å
739	I	79.1	Confident	78.1	Confident	3 Å²	3	42.5 Å²	42.5	2%	0.015	22%	0.223	C	C	.	.	H	α-helix	trans	-61.6	-35.1	-165.6	-160.5	163.3	0	0	0	112.9	E737 S742 I743 F752 R757 C760 C761 L764 I818	E737-I739 PolarHBondContact O-N 3.32Å; I739-S742 VanDerWaalsContact C-OG 3.31Å; I739-S742 WeakPolarHBondContact CA-OG 3.39Å; I739-S742 PolarHBondContact O-OG 2.95Å; I739-I743 WeakPolarHBondContact O-CG1 3.24Å; I739-I743 PolarHBondContact O-N 3.44Å; I739-F752 HydrophobicContact CD1-CE1 4.23Å; I739-F752 HydrophobicContact CD1-CZ 4.05Å; I739-F752 HydrophobicContact CG1-CE1 4.38Å; I739-F752 HydrophobicContact CG1-CZ 4.5Å; I739-R757 HydrophobicContact CG1-CB 4.4Å; I739-C760 HydrophobicContact CD1-CB 3.51Å; I739-C760 WeakPolarHBondContact CD1-SG 3.43Å; I739-C761 VanDerWaalsContact CG2-SG 3.6Å; I739-L764 HydrophobicContact CG2-CD1 4.08Å; I739-I818 HydrophobicContact CD1-CD1 3.77Å; I739-I818 HydrophobicContact CD1-CG1 3.88Å
740	W	83.8	Confident	78	Confident	62 Å²	62	38.5 Å²	38.5	24%	0.235	21%	0.209	C	C	.	.	H	α-helix	trans	-67.4	-52.6	176.2	-54.9	100.6	0	0	0	113.6	H738 S742 I743 C761 L765 I1029	H738-W740 VanDerWaalsContact C-N 3.27Å; H738-W740 AromaticContact CE1-CD1 3.88Å; H738-W740 PolarHBondContact O-N 3.47Å; H738-W740 VanDerWaalsContact O-N 3.17Å; W740-S742 PolarHBondContact O-N 3.41Å; W740-I743 WeakPolarHBondContact O-CB 3.42Å; W740-I743 PolarHBondContact O-N 2.94Å; W740-C761 HydrophobicContact CD2-CB 4.38Å; W740-C761 HydrophobicContact CE3-CB 4.01Å; W740-C761 HydrophobicContact CH2-CB 3.93Å; W740-C761 HydrophobicContact CZ2-CB 4.31Å; W740-C761 HydrophobicContact CZ3-CB 3.78Å; W740-L765 HydrophobicContact CH2-CD1 4.31Å; W740-I1029 HydrophobicContact CD2-CD1 4.29Å; W740-I1029 HydrophobicContact CD2-CG1 4.15Å; W740-I1029 HydrophobicContact CG-CG1 4.24Å; W740-I1029 HydrophobicContact CZ2-CD1 4.25Å; W740-I1029 HydrophobicContact CZ2-CG1 4.23Å
741	V	83.2	Confident	77.8	Confident	64 Å²	64	40.3 Å²	40.3	39%	0.388	22%	0.221	S	C	.	.	H	α-helix	trans	-61.5	-37.1	178.5	173.7	0	0	0	0	111	H738 I743 V744 D745	H738-V741 HydrophobicContact CB-CB 4.22Å; H738-V741 HydrophobicContact CB-CG2 4.43Å; H738-V741 PolarHBondContact ND1-N 3.35Å; H738-V741 PolarHBondContact O-N 3.12Å; V741-I743 PolarHBondContact O-N 3.2Å; V741-V744 PolarHBondContact O-N 2.96Å; V741-D745 PolarHBondContact O-N 3.46Å; V741-D745 VanDerWaalsContact O-N 3.1Å
742	S	84.8	Confident	78	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.6	-15.7	179.9	76.6	0	0	0	0	115	R735 H738 I739 W740 V744 P746 R757	R735-S742 WeakPolarHBondContact O-CA 3.38Å; R735-S742 WeakPolarHBondContact O-CB 3.41Å; H738-S742 VanDerWaalsContact O-CB 3.25Å; H738-S742 WeakPolarHBondContact O-CB 3.28Å; H738-S742 PolarHBondContact O-N 3.06Å; H738-S742 PolarHBondContact O-OG 3.3Å; I739-S742 VanDerWaalsContact C-OG 3.31Å; I739-S742 WeakPolarHBondContact CA-OG 3.39Å; I739-S742 PolarHBondContact O-OG 2.95Å; W740-S742 PolarHBondContact O-N 3.41Å; S742-V744 VanDerWaalsContact C-N 3.28Å; S742-P746 WeakPolarHBondContact O-CB 3.19Å; S742-P746 VanDerWaalsContact O-CD 3.24Å; S742-P746 WeakPolarHBondContact O-CD 3.24Å; S742-R757 WeakPolarHBondContact O-CD 3.36Å; S742-R757 VanDerWaalsContact OG-CD 3.29Å; S742-R757 WeakPolarHBondContact OG-CD 3.12Å; S742-R757 PolarHBondContact OG-NH1 3.44Å
743	I	87.1	Confident	78.8	Confident	22 Å²	22	36.7 Å²	36.7	11%	0.113	20%	0.197	C	C	.	.	H	α-helix	trans	-66.3	-36.6	170.8	-68.6	164.8	0	0	0	110.2	W569 I739 W740 V741 R754 R757 V758 C761	W569-I743 HydrophobicContact CZ3-CG2 3.95Å; I739-I743 WeakPolarHBondContact O-CG1 3.24Å; I739-I743 PolarHBondContact O-N 3.44Å; W740-I743 WeakPolarHBondContact O-CB 3.42Å; W740-I743 PolarHBondContact O-N 2.94Å; V741-I743 PolarHBondContact O-N 3.2Å; I743-R754 PolarHBondContact O-NH1 2.85Å; I743-R757 HydrophobicContact CG1-CB 3.81Å; I743-V758 HydrophobicContact CB-CG2 4.34Å; I743-V758 HydrophobicContact CD1-CG2 3.89Å; I743-V758 HydrophobicContact CG1-CG2 3.86Å; I743-V758 HydrophobicContact CG2-CG2 3.53Å; I743-C761 HydrophobicContact CD1-CB 4.19Å; I743-C761 VanDerWaalsContact CD1-SG 3.55Å
744	V	84.1	Confident	79.5	Confident	101 Å²	101	38.2 Å²	38.2	61%	0.612	20%	0.201	S	C	*	.	H	α-helix	trans	-90.4	-42.1	-173.8	-175.8	0	0	0	0	111.7	V741 S742 R754	V741-V744 PolarHBondContact O-N 2.96Å; S742-V744 VanDerWaalsContact C-N 3.28Å; V744-R754 PolarHBondContact O-NH1 2.84Å
745	D	77.2	Confident	79.9	Confident	58 Å²	58	36 Å²	36	31%	0.31	19%	0.193	S	C	.	.	S	Bend	trans	-137.4	68	-179	-171.6	19.6	0	0	0	113.3	H605 R735 V741	H605-D745 IonicContact CD2-OD2 3.51Å; H605-D745 IonicContact NE2-OD2 2.79Å; R735-D745 VanDerWaalsContact CB-O 3.28Å; R735-D745 WeakPolarHBondContact CB-O 3.15Å; R735-D745 VanDerWaalsContact CG-O 3.3Å; R735-D745 WeakPolarHBondContact CG-O 3.19Å; R735-D745 IonicContact CZ-OD1 3.33Å; R735-D745 IonicContact CZ-OD2 2.71Å; R735-D745 PolarHBondContact NE-O 3.19Å; R735-D745 VanDerWaalsContact NE-O 3.07Å; R735-D745 IonicContact NE-OD1 3.03Å; R735-D745 PolarHBondContact NE-OD1 3.46Å; R735-D745 IonicContact NE-OD2 2.69Å; R735-D745 PolarHBondContact NE-OD2 3.46Å; R735-D745 IonicContact NH2-OD1 2.81Å; R735-D745 PolarHBondContact NH2-OD1 3.13Å; R735-D745 IonicContact NH2-OD2 3.96Å; V741-D745 PolarHBondContact O-N 3.46Å; V741-D745 VanDerWaalsContact O-N 3.1Å
746	P	80.4	Confident	80.6	Confident	6 Å²	6	35 Å²	35	4%	0.039	19%	0.19	C	C	.	.			trans	-66.6	160.2	175.6	30.2	-34.4	0	0	0	111.5	R735 S742 S748 R754	R735-P746 PolarHBondContact NH2-O 3.42Å; S742-P746 WeakPolarHBondContact O-CB 3.19Å; S742-P746 VanDerWaalsContact O-CD 3.24Å; S742-P746 WeakPolarHBondContact O-CD 3.24Å; P746-S748 PolarHBondContact O-N 3.16Å; P746-R754 HydrophobicContact CG-CG 3.91Å; P746-R754 VanDerWaalsContact CG-CZ 3.44Å
747	P	75	Confident	81.4	Confident	26 Å²	26	32.9 Å²	32.9	17%	0.169	18%	0.179	C	C	.	.			trans	-60.5	141.8	172.3	-12	25.8	0	0	0	110.1	R735 D736 R749 S750	R735-P747 WeakPolarHBondContact O-CD 3.36Å; D736-P747 HydrophobicContact CB-CG 3.54Å; P747-R749 PolarHBondContact O-N 2.74Å; P747-S750 PolarHBondContact O-N 3.27Å; P747-S750 VanDerWaalsContact O-N 3.16Å
748	S	68	Low	82.2	Confident	50 Å²	50	31 Å²	31	35%	0.35	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-23.9	-176.2	55.2	0	0	0	0	114	R581 P746	R581-S748 WeakPolarHBondContact CD-O 3.49Å; R581-S748 WeakPolarHBondContact CG-O 3.18Å; R581-S748 PolarHBondContact NE-O 3.45Å; R581-S748 PolarHBondContact NH2-O 2.75Å; P746-S748 PolarHBondContact O-N 3.16Å
749	R	67.9	Low	82.6	Confident	72 Å²	72	30.8 Å²	30.8	27%	0.272	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	17.4	179.1	-77.7	-157.8	166	100.8	-1.6	115.3	R581 M646 P747 E1058	R581-R749 PolarHBondContact O-NH2 3Å; M646-R749 VanDerWaalsContact CG-NH1 3.32Å; P747-R749 PolarHBondContact O-N 2.74Å; R749-E1058 IonicContact CZ-OE2 2.83Å; R749-E1058 IonicContact NE-OE2 3.44Å; R749-E1058 PolarHBondContact NE-OE2 3.33Å; R749-E1058 IonicContact NH2-OE2 3.75Å; R749-E1058 PolarHBondContact NH2-OE2 3.41Å
750	S	74.1	Confident	83.1	Confident	6 Å²	6	30.7 Å²	30.7	4%	0.042	17%	0.169	C	C	.	.			trans	-65.3	133.4	178.6	-172.4	0	0	0	0	111.1	R581 D736 P747 F752 R757	R581-S750 PolarHBondContact NH1-O 2.89Å; R581-S750 VanDerWaalsContact NH1-O 3.16Å; D736-S750 PolarHBondContact OD1-OG 2.89Å; D736-S750 VanDerWaalsContact OD1-OG 3.04Å; P747-S750 PolarHBondContact O-N 3.27Å; P747-S750 VanDerWaalsContact O-N 3.16Å; S750-F752 PolarHBondContact O-N 2.71Å; S750-F752 PolarHBondContact OG-N 3.04Å; S750-R757 PolarHBondContact OG-NH2 2.89Å
751	P	73.8	Confident	83.3	Confident	58 Å²	58	27.9 Å²	27.9	38%	0.377	16%	0.159	S	C	.	.	S	Bend	trans	-71.5	-18.6	172.9	30.5	-34.9	0	0	0	112	T753 R822	P751-T753 PolarHBondContact O-N 2.64Å; P751-R822 WeakPolarHBondContact CG-O 3.2Å
752	F	81.9	Confident	83.7	Confident	2 Å²	2	25.6 Å²	25.6	1%	0.009	14%	0.144	C	C	.	.	S	Bend	trans	-83.8	103.5	177.5	-175	-152.5	0	0	0	110	I739 S750 Q756 R757 C760 I818 F821 R822	I739-F752 HydrophobicContact CD1-CE1 4.23Å; I739-F752 HydrophobicContact CD1-CZ 4.05Å; I739-F752 HydrophobicContact CG1-CE1 4.38Å; I739-F752 HydrophobicContact CG1-CZ 4.5Å; S750-F752 PolarHBondContact O-N 2.71Å; S750-F752 PolarHBondContact OG-N 3.04Å; F752-Q756 HydrophobicContact CD2-CB 3.67Å; F752-Q756 HydrophobicContact CE2-CB 3.5Å; F752-R757 HydrophobicContact CD1-CG 3.64Å; F752-R757 HydrophobicContact CD2-CG 4.08Å; F752-R757 HydrophobicContact CE1-CB 4.46Å; F752-R757 HydrophobicContact CE1-CG 3.39Å; F752-R757 HydrophobicContact CE2-CG 3.87Å; F752-R757 HydrophobicContact CG-CG 3.98Å; F752-R757 HydrophobicContact CZ-CB 4.23Å; F752-R757 HydrophobicContact CZ-CG 3.52Å; F752-R757 PolarHBondContact O-NE 3.18Å; F752-R757 PolarHBondContact O-NH2 3.34Å; F752-C760 HydrophobicContact CZ-CB 4.38Å; F752-I818 HydrophobicContact CE1-CG2 4.2Å; F752-F821 HydrophobicContact CD2-CB 3.52Å; F752-F821 HydrophobicContact CD2-CG 4.23Å; F752-F821 HydrophobicContact CE2-CB 3.71Å; F752-F821 HydrophobicContact CE2-CD2 4.15Å; F752-F821 HydrophobicContact CE2-CG 4.09Å; F752-F821 HydrophobicContact CG-CB 4.33Å; F752-R822 HydrophobicContact CB-CG 4.13Å; F752-R822 HydrophobicContact CD1-CG 4.2Å; F752-R822 HydrophobicContact CG-CG 4.38Å
753	T	87	Confident	83.9	Confident	47 Å²	47	25.6 Å²	25.6	29%	0.288	14%	0.144	S	C	.	.			trans	-71	158.7	-173.7	63.4	0	0	0	0	112.7	D574 P751 A755 Q756 R757	D574-T753 WeakPolarHBondContact OD2-CB 3.37Å; P751-T753 PolarHBondContact O-N 2.64Å; T753-A755 VanDerWaalsContact C-N 3.29Å; T753-A755 PolarHBondContact O-N 3.33Å; T753-Q756 PolarHBondContact O-N 3.39Å; T753-Q756 WeakPolarHBondContact OG1-CB 3.25Å; T753-Q756 WeakPolarHBondContact OG1-CG 3.4Å; T753-Q756 PolarHBondContact OG1-N 3.49Å; T753-Q756 PolarHBondContact OG1-OE1 3.27Å; T753-R757 VanDerWaalsContact O-CG 3.27Å; T753-R757 WeakPolarHBondContact O-CG 3.22Å; T753-R757 PolarHBondContact O-N 2.97Å
754	R	90	Very high	83.8	Confident	35 Å²	35	25.3 Å²	25.3	13%	0.132	14%	0.143	C	C	.	.	H	α-helix	trans	-61.3	-40.2	175.2	-62.4	166.9	-173.5	-90.5	6.1	111	A570 D574 I743 V744 P746 Q756 R757 V758	A570-R754 HydrophobicContact CB-CB 3.76Å; D574-R754 VanDerWaalsContact CG-N 3.35Å; D574-R754 WeakPolarHBondContact OD1-CB 3.43Å; D574-R754 WeakPolarHBondContact OD1-CD 3.27Å; D574-R754 WeakPolarHBondContact OD1-CG 3.22Å; D574-R754 PolarHBondContact OD1-N 2.82Å; D574-R754 IonicContact OD1-NE 3.37Å; D574-R754 WeakPolarHBondContact OD2-CA 3.33Å; D574-R754 WeakPolarHBondContact OD2-CB 3.31Å; D574-R754 PolarHBondContact OD2-N 2.92Å; I743-R754 PolarHBondContact O-NH1 2.85Å; V744-R754 PolarHBondContact O-NH1 2.84Å; P746-R754 HydrophobicContact CG-CG 3.91Å; P746-R754 VanDerWaalsContact CG-CZ 3.44Å; R754-Q756 VanDerWaalsContact C-N 3.34Å; R754-Q756 PolarHBondContact O-N 3.13Å; R754-R757 WeakPolarHBondContact O-CB 3.45Å; R754-R757 PolarHBondContact O-N 3.33Å; R754-R757 VanDerWaalsContact O-N 3.15Å; R754-V758 WeakPolarHBondContact O-CG2 3.21Å; R754-V758 PolarHBondContact O-N 2.73Å
755	A	90.4	Very high	83.9	Confident	10 Å²	10	21.2 Å²	21.2	8%	0.083	12%	0.118	C	C	.	.	H	α-helix	trans	-59.8	-43.5	177.9	0	0	0	0	0	112.1	L567 A570 D574 T753 S759	L567-A755 HydrophobicContact CD1-CB 3.87Å; A570-A755 HydrophobicContact CB-CB 4.49Å; D574-A755 PolarHBondContact OD2-N 2.69Å; T753-A755 VanDerWaalsContact C-N 3.29Å; T753-A755 PolarHBondContact O-N 3.33Å; A755-S759 WeakPolarHBondContact O-CB 3.23Å; A755-S759 PolarHBondContact O-N 3.22Å; A755-S759 VanDerWaalsContact O-N 3.08Å; A755-S759 PolarHBondContact O-OG 3.49Å
756	Q	90.9	Very high	84.5	Confident	15 Å²	15	18.5 Å²	18.5	7%	0.07	10%	0.103	C	C	.	.	H	α-helix	trans	-66.9	-38.3	175	-67.2	159.9	-23.7	0	0	111.7	F752 T753 R754 S759 C760 F821 W988	F752-Q756 HydrophobicContact CD2-CB 3.67Å; F752-Q756 HydrophobicContact CE2-CB 3.5Å; T753-Q756 PolarHBondContact O-N 3.39Å; T753-Q756 WeakPolarHBondContact OG1-CB 3.25Å; T753-Q756 WeakPolarHBondContact OG1-CG 3.4Å; T753-Q756 PolarHBondContact OG1-N 3.49Å; T753-Q756 PolarHBondContact OG1-OE1 3.27Å; R754-Q756 VanDerWaalsContact C-N 3.34Å; R754-Q756 PolarHBondContact O-N 3.13Å; Q756-S759 PolarHBondContact O-N 2.97Å; Q756-C760 WeakPolarHBondContact O-CB 3.29Å; Q756-C760 PolarHBondContact O-N 3.34Å; Q756-F821 HydrophobicContact CB-CD1 4.32Å; Q756-F821 HydrophobicContact CB-CG 4.39Å; Q756-F821 HydrophobicContact CG-CD1 3.85Å; Q756-F821 HydrophobicContact CG-CE1 3.86Å; Q756-F821 HydrophobicContact CG-CG 4.41Å; Q756-F821 HydrophobicContact CG-CZ 4.42Å; Q756-W988 HydrophobicContact CG-CZ2 3.79Å
757	R	90.8	Very high	84.8	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.2	-46.5	176.3	-70.3	162.6	-172.7	-82.2	5.5	112	D736 I739 S742 I743 S750 F752 T753 R754 S759 C760 C761	D736-R757 PolarHBondContact O-NH1 3.14Å; D736-R757 IonicContact OD1-CZ 3.25Å; D736-R757 IonicContact OD1-NH1 3.99Å; D736-R757 IonicContact OD1-NH2 3.33Å; D736-R757 PolarHBondContact OD1-NH2 3.32Å; I739-R757 HydrophobicContact CG1-CB 4.4Å; S742-R757 WeakPolarHBondContact O-CD 3.36Å; S742-R757 VanDerWaalsContact OG-CD 3.29Å; S742-R757 WeakPolarHBondContact OG-CD 3.12Å; S742-R757 PolarHBondContact OG-NH1 3.44Å; I743-R757 HydrophobicContact CG1-CB 3.81Å; S750-R757 PolarHBondContact OG-NH2 2.89Å; F752-R757 HydrophobicContact CD1-CG 3.64Å; F752-R757 HydrophobicContact CD2-CG 4.08Å; F752-R757 HydrophobicContact CE1-CB 4.46Å; F752-R757 HydrophobicContact CE1-CG 3.39Å; F752-R757 HydrophobicContact CE2-CG 3.87Å; F752-R757 HydrophobicContact CG-CG 3.98Å; F752-R757 HydrophobicContact CZ-CB 4.23Å; F752-R757 HydrophobicContact CZ-CG 3.52Å; F752-R757 PolarHBondContact O-NE 3.18Å; F752-R757 PolarHBondContact O-NH2 3.34Å; T753-R757 VanDerWaalsContact O-CG 3.27Å; T753-R757 WeakPolarHBondContact O-CG 3.22Å; T753-R757 PolarHBondContact O-N 2.97Å; R754-R757 WeakPolarHBondContact O-CB 3.45Å; R754-R757 PolarHBondContact O-N 3.33Å; R754-R757 VanDerWaalsContact O-N 3.15Å; R757-S759 VanDerWaalsContact C-N 3.32Å; R757-S759 PolarHBondContact O-N 3.34Å; R757-C760 PolarHBondContact O-N 3.28Å; R757-C761 PolarHBondContact O-N 2.93Å; R757-C761 PolarHBondContact O-SG 3.18Å; R757-C761 VanDerWaalsContact O-SG 3.4Å
758	V	92.6	Very high	85.1	Confident	7 Å²	7	18 Å²	18	4%	0.042	10%	0.099	C	C	.	.	H	α-helix	trans	-58.6	-45.1	175.5	170.5	0	0	0	0	110.8	Y563 T566 L567 A570 I743 R754 C761 M762	Y563-V758 HydrophobicContact CD2-CG1 3.69Å; Y563-V758 HydrophobicContact CE2-CG1 3.86Å; T566-V758 WeakPolarHBondContact OG1-CG1 3.05Å; L567-V758 HydrophobicContact CB-CG1 4.47Å; A570-V758 HydrophobicContact CB-CG2 3.95Å; I743-V758 HydrophobicContact CB-CG2 4.34Å; I743-V758 HydrophobicContact CD1-CG2 3.89Å; I743-V758 HydrophobicContact CG1-CG2 3.86Å; I743-V758 HydrophobicContact CG2-CG2 3.53Å; R754-V758 WeakPolarHBondContact O-CG2 3.21Å; R754-V758 PolarHBondContact O-N 2.73Å; V758-C761 PolarHBondContact O-N 3.49Å; V758-M762 PolarHBondContact O-N 3.45Å
759	S	92.4	Very high	85.9	Confident	3 Å²	3	15.6 Å²	15.6	2%	0.021	8%	0.083	C	C	.	.	H	α-helix	trans	-66	-40.2	179.4	-51.5	0	0	0	0	112.4	Y563 A755 Q756 R757 M762 S763 W988 L991	Y563-S759 PolarHBondContact OH-OG 3.09Å; A755-S759 WeakPolarHBondContact O-CB 3.23Å; A755-S759 PolarHBondContact O-N 3.22Å; A755-S759 VanDerWaalsContact O-N 3.08Å; A755-S759 PolarHBondContact O-OG 3.49Å; Q756-S759 PolarHBondContact O-N 2.97Å; R757-S759 VanDerWaalsContact C-N 3.32Å; R757-S759 PolarHBondContact O-N 3.34Å; S759-M762 PolarHBondContact O-N 3.43Å; S759-S763 PolarHBondContact O-N 3.43Å; S759-W988 VanDerWaalsContact OG-CH2 3.22Å; S759-W988 WeakPolarHBondContact OG-CH2 3.4Å; S759-W988 VanDerWaalsContact OG-CZ3 3.25Å; S759-W988 WeakPolarHBondContact OG-CZ3 3.26Å; S759-L991 VanDerWaalsContact O-CD2 3.23Å; S759-L991 WeakPolarHBondContact O-CD2 3.23Å
760	C	89.5	Confident	86.7	Confident	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-62.8	-47.6	173.4	-169.1	0	0	0	0	111.2	I739 F752 Q756 R757 M762 S763 L764	I739-C760 HydrophobicContact CD1-CB 3.51Å; I739-C760 WeakPolarHBondContact CD1-SG 3.43Å; F752-C760 HydrophobicContact CZ-CB 4.38Å; Q756-C760 WeakPolarHBondContact O-CB 3.29Å; Q756-C760 PolarHBondContact O-N 3.34Å; R757-C760 PolarHBondContact O-N 3.28Å; C760-M762 VanDerWaalsContact C-N 3.29Å; C760-M762 PolarHBondContact O-N 2.94Å; C760-S763 PolarHBondContact O-N 2.94Å; C760-S763 VanDerWaalsContact O-N 3.12Å; C760-L764 VanDerWaalsContact O-CG 3.22Å; C760-L764 WeakPolarHBondContact O-CG 3.3Å; C760-L764 PolarHBondContact O-N 2.98Å
761	C	88.4	Confident	87	Confident	4 Å²	4	13.9 Å²	13.9	3%	0.027	8%	0.08	C	C	.	.	H	α-helix	trans	-55.3	-42.6	174.2	-73	0	0	0	0	113	I739 W740 I743 R757 V758 L764 L765	I739-C761 VanDerWaalsContact CG2-SG 3.6Å; W740-C761 HydrophobicContact CD2-CB 4.38Å; W740-C761 HydrophobicContact CE3-CB 4.01Å; W740-C761 HydrophobicContact CH2-CB 3.93Å; W740-C761 HydrophobicContact CZ2-CB 4.31Å; W740-C761 HydrophobicContact CZ3-CB 3.78Å; I743-C761 HydrophobicContact CD1-CB 4.19Å; I743-C761 VanDerWaalsContact CD1-SG 3.55Å; R757-C761 PolarHBondContact O-N 2.93Å; R757-C761 PolarHBondContact O-SG 3.18Å; R757-C761 VanDerWaalsContact O-SG 3.4Å; V758-C761 PolarHBondContact O-N 3.49Å; C761-L764 PolarHBondContact O-N 3.06Å; C761-L765 WeakPolarHBondContact O-CB 3.13Å; C761-L765 PolarHBondContact O-N 2.77Å
762	M	90.9	Very high	87.3	Confident	16 Å²	16	11.1 Å²	11.1	8%	0.079	6%	0.062	C	C	.	.	H	α-helix	trans	-60.8	-47	176.2	-177.6	62.7	-179.1	0	0	111.4	F559 Y560 Y563 V758 S759 C760 L764 L765 L766	F559-M762 HydrophobicContact CB-CE 3.82Å; F559-M762 HydrophobicContact CB-SD 4.19Å; Y560-M762 HydrophobicContact CD1-CE 3.73Å; Y560-M762 HydrophobicContact CD2-CE 4.1Å; Y560-M762 HydrophobicContact CE1-CE 3.85Å; Y560-M762 HydrophobicContact CE2-CE 4.19Å; Y560-M762 HydrophobicContact CG-CE 3.86Å; Y563-M762 HydrophobicContact CD2-CB 3.75Å; Y563-M762 HydrophobicContact CD2-CG 4.01Å; Y563-M762 HydrophobicContact CE2-CB 4.21Å; Y563-M762 HydrophobicContact CG-CB 4.26Å; Y563-M762 HydrophobicContact CG-CG 4.01Å; Y563-M762 HydrophobicContact CG-SD 4.43Å; V758-M762 PolarHBondContact O-N 3.45Å; S759-M762 PolarHBondContact O-N 3.43Å; C760-M762 VanDerWaalsContact C-N 3.29Å; C760-M762 PolarHBondContact O-N 2.94Å; M762-L764 VanDerWaalsContact C-N 3.34Å; M762-L764 PolarHBondContact O-N 2.9Å; M762-L765 PolarHBondContact O-N 3Å; M762-L766 HydrophobicContact CE-CD1 3.82Å; M762-L766 HydrophobicContact CE-CD2 3.99Å; M762-L766 HydrophobicContact CE-CG 3.92Å; M762-L766 HydrophobicContact CG-CD1 4.23Å; M762-L766 WeakPolarHBondContact O-CG 3.36Å; M762-L766 PolarHBondContact O-N 2.86Å; M762-L766 HydrophobicContact SD-CG 4.45Å
763	S	89.3	Confident	87.1	Confident	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-63	-39.6	176.1	176.1	0	0	0	0	112.4	S759 C760 L765 L766 C767 S995	S759-S763 PolarHBondContact O-N 3.43Å; C760-S763 PolarHBondContact O-N 2.94Å; C760-S763 VanDerWaalsContact O-N 3.12Å; S763-L765 VanDerWaalsContact C-N 3.32Å; S763-L765 PolarHBondContact O-N 3.2Å; S763-L766 PolarHBondContact O-N 3.48Å; S763-C767 PolarHBondContact O-N 3.43Å; S763-C767 PolarHBondContact O-SG 2.65Å; S763-S995 WeakPolarHBondContact CB-OG 3.45Å
764	L	84.8	Confident	86.6	Confident	15 Å²	15	10.7 Å²	10.7	8%	0.079	6%	0.063	C	C	.	.	H	α-helix	trans	-58.5	-49.1	175.8	-59.4	-156.9	0	0	0	110.7	I739 C760 C761 M762 C767 T768 N814	I739-L764 HydrophobicContact CG2-CD1 4.08Å; C760-L764 VanDerWaalsContact O-CG 3.22Å; C760-L764 WeakPolarHBondContact O-CG 3.3Å; C760-L764 PolarHBondContact O-N 2.98Å; C761-L764 PolarHBondContact O-N 3.06Å; M762-L764 VanDerWaalsContact C-N 3.34Å; M762-L764 PolarHBondContact O-N 2.9Å; L764-C767 PolarHBondContact O-N 2.94Å; L764-T768 WeakPolarHBondContact O-CB 3.44Å; L764-T768 PolarHBondContact O-N 3.28Å; L764-T768 PolarHBondContact O-OG1 2.73Å; L764-N814 HydrophobicContact CD2-CB 3.82Å; L764-N814 VanDerWaalsContact CD2-ND2 3.27Å; L764-N814 WeakPolarHBondContact CD2-ND2 3.42Å; L764-N814 WeakPolarHBondContact CD2-OD1 3.45Å
765	L	87.3	Confident	85.5	Confident	16 Å²	16	13 Å²	13	8%	0.084	7%	0.074	C	C	.	.	H	α-helix	trans	-59.9	-49.2	-179.6	-175.8	153.3	0	0	0	110.8	F559 W740 C761 M762 S763 C767 T768 M769 L1025	F559-L765 HydrophobicContact CB-CD2 4.46Å; F559-L765 HydrophobicContact CD1-CD1 4.1Å; F559-L765 HydrophobicContact CD1-CD2 4.17Å; F559-L765 HydrophobicContact CD2-CD2 3.47Å; F559-L765 VanDerWaalsContact CD2-CD2 3.47Å; F559-L765 HydrophobicContact CE1-CD1 3.89Å; F559-L765 HydrophobicContact CE1-CD2 4.25Å; F559-L765 HydrophobicContact CE2-CD2 3.56Å; F559-L765 HydrophobicContact CG-CD2 3.8Å; F559-L765 HydrophobicContact CZ-CD1 4.12Å; F559-L765 HydrophobicContact CZ-CD2 3.96Å; W740-L765 HydrophobicContact CH2-CD1 4.31Å; C761-L765 WeakPolarHBondContact O-CB 3.13Å; C761-L765 PolarHBondContact O-N 2.77Å; M762-L765 PolarHBondContact O-N 3Å; S763-L765 VanDerWaalsContact C-N 3.32Å; S763-L765 PolarHBondContact O-N 3.2Å; L765-C767 PolarHBondContact O-N 3.3Å; L765-T768 PolarHBondContact O-N 3.43Å; L765-M769 HydrophobicContact CD2-CG 4.29Å; L765-M769 HydrophobicContact CD2-SD 3.4Å; L765-M769 WeakPolarHBondContact CD2-SD 3.46Å; L765-M769 VanDerWaalsContact O-CG 3.27Å; L765-M769 WeakPolarHBondContact O-CG 3.36Å; L765-M769 PolarHBondContact O-N 3.34Å; L765-L1025 HydrophobicContact CD1-CD1 4.21Å; L765-L1025 HydrophobicContact CD1-CD2 4.29Å; L765-L1025 HydrophobicContact CG-CD1 4.35Å; L765-L1025 HydrophobicContact CG-CD2 4.08Å
766	L	89.1	Confident	84.2	Confident	0 Å²	0	15 Å²	15	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.1	-39.8	179.7	-71.4	175.6	0	0	0	112.9	L556 M762 S763 M769 A770	L556-L766 HydrophobicContact CD2-CD2 3.48Å; L556-L766 VanDerWaalsContact CD2-CD2 3.48Å; M762-L766 HydrophobicContact CE-CD1 3.82Å; M762-L766 HydrophobicContact CE-CD2 3.99Å; M762-L766 HydrophobicContact CE-CG 3.92Å; M762-L766 HydrophobicContact CG-CD1 4.23Å; M762-L766 WeakPolarHBondContact O-CG 3.36Å; M762-L766 PolarHBondContact O-N 2.86Å; M762-L766 HydrophobicContact SD-CG 4.45Å; S763-L766 PolarHBondContact O-N 3.48Å; L766-M769 HydrophobicContact CD2-SD 4.32Å; L766-M769 WeakPolarHBondContact O-CB 3.3Å; L766-M769 PolarHBondContact O-N 2.88Å; L766-A770 PolarHBondContact O-N 3.25Å
767	C	85.9	Confident	82.5	Confident	4 Å²	4	18.5 Å²	18.5	3%	0.027	10%	0.099	C	C	.	.	H	α-helix	trans	-69.7	-40.8	177.2	-61	0	0	0	0	112.2	S763 L764 L765 M769 A770 I771 M810 I994 S998	S763-C767 PolarHBondContact O-N 3.43Å; S763-C767 PolarHBondContact O-SG 2.65Å; L764-C767 PolarHBondContact O-N 2.94Å; L765-C767 PolarHBondContact O-N 3.3Å; C767-M769 PolarHBondContact O-N 3.03Å; C767-A770 PolarHBondContact O-N 2.81Å; C767-I771 WeakPolarHBondContact O-CG1 3.17Å; C767-I771 PolarHBondContact O-N 2.75Å; C767-M810 HydrophobicContact CB-CE 3.23Å; C767-M810 HydrophobicContact CB-CG 4.26Å; C767-M810 HydrophobicContact CB-SD 3.37Å; C767-M810 WeakPolarHBondContact CB-SD 3.3Å; C767-I994 WeakPolarHBondContact SG-CG2 3.37Å; C767-S998 WeakPolarHBondContact CA-OG 3.47Å; C767-S998 PolarHBondContact SG-OG 3.45Å
768	T	81.3	Confident	80.6	Confident	17 Å²	17	23.4 Å²	23.4	10%	0.104	12%	0.124	C	C	.	.	H	α-helix	trans	-59.4	-39.8	173.5	-61.9	0	0	0	0	110.6	L764 L765 N772	L764-T768 WeakPolarHBondContact O-CB 3.44Å; L764-T768 PolarHBondContact O-N 3.28Å; L764-T768 PolarHBondContact O-OG1 2.73Å; L765-T768 PolarHBondContact O-N 3.43Å; T768-N772 WeakPolarHBondContact O-CB 3.47Å; T768-N772 PolarHBondContact O-N 3Å
769	M	85.8	Confident	78	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.4	-50.2	172.6	-70.4	172.9	74	0	0	112.5	L555 L556 F559 L765 L766 C767 I771 N772 I773 T1002 W1017 L1021	L555-M769 HydrophobicContact CD2-CE 3.64Å; L555-M769 HydrophobicContact CG-CE 4.1Å; L556-M769 HydrophobicContact CD2-CE 3.99Å; L556-M769 HydrophobicContact CG-CE 4.39Å; F559-M769 HydrophobicContact CD2-CE 4.02Å; F559-M769 HydrophobicContact CD2-SD 3.68Å; F559-M769 HydrophobicContact CE2-CE 3.78Å; F559-M769 HydrophobicContact CE2-SD 3.47Å; F559-M769 WeakPolarHBondContact CE2-SD 3.24Å; L765-M769 HydrophobicContact CD2-CG 4.29Å; L765-M769 HydrophobicContact CD2-SD 3.4Å; L765-M769 WeakPolarHBondContact CD2-SD 3.46Å; L765-M769 VanDerWaalsContact O-CG 3.27Å; L765-M769 WeakPolarHBondContact O-CG 3.36Å; L765-M769 PolarHBondContact O-N 3.34Å; L766-M769 HydrophobicContact CD2-SD 4.32Å; L766-M769 WeakPolarHBondContact O-CB 3.3Å; L766-M769 PolarHBondContact O-N 2.88Å; C767-M769 PolarHBondContact O-N 3.03Å; M769-I771 VanDerWaalsContact C-N 3.33Å; M769-I771 PolarHBondContact O-N 3.12Å; M769-N772 PolarHBondContact O-N 2.56Å; M769-I773 WeakPolarHBondContact O-CB 3.24Å; M769-I773 WeakPolarHBondContact O-CG2 3.37Å; M769-I773 PolarHBondContact O-N 3.1Å; M769-T1002 HydrophobicContact CB-CG2 4.26Å; M769-T1002 HydrophobicContact CE-CG2 4.26Å; M769-W1017 HydrophobicContact CB-CH2 4.33Å; M769-W1017 HydrophobicContact CB-CZ2 4.08Å; M769-W1017 HydrophobicContact CE-CH2 3.62Å; M769-W1017 HydrophobicContact CE-CZ2 4.46Å; M769-W1017 HydrophobicContact CE-CZ3 4.45Å; M769-W1017 HydrophobicContact CG-CH2 4.43Å; M769-W1017 HydrophobicContact CG-CZ2 4.39Å; M769-L1021 HydrophobicContact CB-CD1 4.31Å; M769-L1021 HydrophobicContact CE-CD2 3.93Å; M769-L1021 HydrophobicContact CG-CD1 3.47Å; M769-L1021 VanDerWaalsContact CG-CD1 3.47Å; M769-L1021 HydrophobicContact CG-CD2 3.53Å; M769-L1021 HydrophobicContact CG-CG 4.12Å; M769-L1021 HydrophobicContact SD-CD2 4.07Å
770	A	84.9	Confident	75.7	Confident	11 Å²	11	32.7 Å²	32.7	9%	0.091	18%	0.183	C	C	.	.	H	α-helix	trans	-62.8	-38.6	-177.3	0	0	0	0	0	112.7	L766 C767 I773 A774 T1002	L766-A770 PolarHBondContact O-N 3.25Å; C767-A770 PolarHBondContact O-N 2.81Å; A770-I773 WeakPolarHBondContact O-CG2 3.17Å; A770-A774 WeakPolarHBondContact O-CB 3.49Å; A770-A774 PolarHBondContact O-N 3.3Å; A770-T1002 VanDerWaalsContact CA-OG1 3.27Å; A770-T1002 WeakPolarHBondContact CA-OG1 3.38Å; A770-T1002 WeakPolarHBondContact CB-OG1 3.38Å; A770-T1002 PolarHBondContact N-OG1 3.24Å
771	I	80.1	Confident	73.4	Confident	32 Å²	32	37.9 Å²	37.9	16%	0.164	21%	0.211	C	C	.	.	H	α-helix	trans	-73.9	-46.6	177.9	-65.2	169.3	0	0	0	110	C767 M769 I773 A774 F775 S806 L809 M810	C767-I771 WeakPolarHBondContact O-CG1 3.17Å; C767-I771 PolarHBondContact O-N 2.75Å; M769-I771 VanDerWaalsContact C-N 3.33Å; M769-I771 PolarHBondContact O-N 3.12Å; I771-I773 VanDerWaalsContact C-N 3.31Å; I771-I773 PolarHBondContact O-N 3.36Å; I771-A774 PolarHBondContact O-N 3.3Å; I771-A774 VanDerWaalsContact O-N 3.16Å; I771-F775 HydrophobicContact CG2-CD2 3.66Å; I771-F775 HydrophobicContact CG2-CE2 3.7Å; I771-F775 VanDerWaalsContact O-CD2 3.25Å; I771-F775 WeakPolarHBondContact O-CD2 3.09Å; I771-F775 PolarHBondContact O-N 3.29Å; I771-F775 VanDerWaalsContact O-N 3.15Å; I771-S806 WeakPolarHBondContact CG2-OG 3.37Å; I771-L809 HydrophobicContact CD1-CB 4.47Å; I771-L809 HydrophobicContact CG2-CD1 4.29Å; I771-M810 HydrophobicContact CD1-CG 3.52Å; I771-M810 HydrophobicContact CD1-SD 3.4Å; I771-M810 WeakPolarHBondContact CD1-SD 3.41Å
772	N	79.6	Confident	71.5	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.2	-39.6	-179.5	-176.8	-89.6	0	0	0	112.1	T768 M769 W776 W1017	T768-N772 WeakPolarHBondContact O-CB 3.47Å; T768-N772 PolarHBondContact O-N 3Å; M769-N772 PolarHBondContact O-N 2.56Å; N772-W776 PolarHBondContact O-N 3.31Å; N772-W1017 PolarHBondContact OD1-NE1 3.5Å
773	I	78.5	Confident	69.5	Low	1 Å²	1	50.3 Å²	50.3	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-73	-31.1	177.3	-158	169.6	0	0	0	113.1	M769 A770 I771 F775 T1002 Y1005 Y1009 W1017	M769-I773 WeakPolarHBondContact O-CB 3.24Å; M769-I773 WeakPolarHBondContact O-CG2 3.37Å; M769-I773 PolarHBondContact O-N 3.1Å; A770-I773 WeakPolarHBondContact O-CG2 3.17Å; I771-I773 VanDerWaalsContact C-N 3.31Å; I771-I773 PolarHBondContact O-N 3.36Å; I773-F775 VanDerWaalsContact C-N 3.34Å; I773-T1002 HydrophobicContact CD1-CG2 4.47Å; I773-T1002 HydrophobicContact CG2-CG2 4.46Å; I773-Y1005 HydrophobicContact CG2-CD2 4.06Å; I773-Y1005 HydrophobicContact CG2-CG 4.36Å; I773-Y1009 HydrophobicContact CG1-CD2 4.13Å; I773-Y1009 HydrophobicContact CG1-CE2 3.78Å; I773-Y1009 WeakPolarHBondContact O-CE2 3.4Å; I773-Y1009 PolarHBondContact O-OH 3.13Å; I773-W1017 HydrophobicContact CB-CD2 4.44Å; I773-W1017 HydrophobicContact CB-CZ2 3.88Å; I773-W1017 HydrophobicContact CD1-CD2 4.1Å; I773-W1017 HydrophobicContact CD1-CE3 4.36Å; I773-W1017 HydrophobicContact CD1-CH2 4.35Å; I773-W1017 HydrophobicContact CD1-CZ2 4.14Å; I773-W1017 HydrophobicContact CD1-CZ3 4.48Å; I773-W1017 HydrophobicContact CG1-CD2 4.19Å; I773-W1017 HydrophobicContact CG1-CG 4.32Å; I773-W1017 HydrophobicContact CG1-CZ2 4.34Å
774	A	75.8	Confident	67.5	Low	39 Å²	39	51.9 Å²	51.9	32%	0.322	30%	0.295	S	S	.	.	H	α-helix	trans	-67.4	-35.2	176.7	0	0	0	0	0	112	A770 I771 Y1005	A770-A774 WeakPolarHBondContact O-CB 3.49Å; A770-A774 PolarHBondContact O-N 3.3Å; I771-A774 PolarHBondContact O-N 3.3Å; I771-A774 VanDerWaalsContact O-N 3.16Å; A774-Y1005 HydrophobicContact CB-CD2 4.42Å; A774-Y1005 HydrophobicContact CB-CE2 4Å
775	F	67.8	Low	65.8	Low	82 Å²	82	54.7 Å²	54.7	36%	0.36	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	0.3	-179.1	-72.7	-70.6	0	0	0	114.7	I771 I773 N777 V802 L809	I771-F775 HydrophobicContact CG2-CD2 3.66Å; I771-F775 HydrophobicContact CG2-CE2 3.7Å; I771-F775 VanDerWaalsContact O-CD2 3.25Å; I771-F775 WeakPolarHBondContact O-CD2 3.09Å; I771-F775 PolarHBondContact O-N 3.29Å; I771-F775 VanDerWaalsContact O-N 3.15Å; I773-F775 VanDerWaalsContact C-N 3.34Å; F775-N777 VanDerWaalsContact C-N 3.27Å; F775-N777 PolarHBondContact O-N 3.32Å; F775-V802 HydrophobicContact CB-CG1 3.8Å; F775-V802 HydrophobicContact CB-CG2 4.36Å; F775-L809 HydrophobicContact CE2-CD1 4.17Å
776	W	63.3	Low	64.3	Low	53 Å²	53	57.5 Å²	57.5	20%	0.201	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-14.2	-178.1	-166.7	-96.2	0	0	0	114.4	N772 D799 Y1009 K1016 W1017 S1020	N772-W776 PolarHBondContact O-N 3.31Å; W776-D799 WeakPolarHBondContact CH2-OD1 3.38Å; W776-D799 WeakPolarHBondContact CZ3-OD1 3.47Å; W776-Y1009 HydrophobicContact CB-CE2 4.36Å; W776-K1016 HydrophobicContact CZ2-CB 4.13Å; W776-W1017 HydrophobicContact CD2-CB 4.33Å; W776-S1020 WeakPolarHBondContact CZ3-OG 3.36Å
777	N	54.3	Low	62.7	Low	89 Å²	89	61 Å²	61	48%	0.476	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	17.1	-170.2	-122.3	8.8	0	0	0	114.7	F775 Y1009	F775-N777 VanDerWaalsContact C-N 3.27Å; F775-N777 PolarHBondContact O-N 3.32Å; N777-Y1009 VanDerWaalsContact ND2-CE1 3.28Å; N777-Y1009 WeakPolarHBondContact ND2-CE1 3.33Å; N777-Y1009 PolarHBondContact ND2-OH 3.09Å
778	I	51.4	Low	61.1	Low	102 Å²	102	63.9 Å²	63.9	52%	0.523	38%	0.376	S	S	.	.	S	Bend	trans	-79.5	125.2	175.9	-57.1	171.1	0	0	0	107.7	V780	I778-V780 PolarHBondContact O-N 2.91Å
779	P	38	Very low	59.3	Low	114 Å²	114	67.6 Å²	67.6	74%	0.74	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-59.2	130.4	-176.5	22.8	-31.9	0	0	0	110.7
780	V	44	Very low	57.5	Low	92 Å²	92	73.7 Å²	73.7	56%	0.558	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-78.3	122.1	-178.9	-177.6	0	0	0	0	108.4	I778 P782	I778-V780 PolarHBondContact O-N 2.91Å; V780-P782 WeakPolarHBondContact O-CD 3.37Å
781	D	41.9	Very low	56.3	Low	109 Å²	109	77 Å²	77	58%	0.583	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-63.2	123.5	166.2	-82.4	-40.7	0	0	0	108.4	N783 S784	D781-N783 PolarHBondContact O-N 2.8Å; D781-S784 WeakPolarHBondContact O-CB 3.38Å; D781-S784 PolarHBondContact O-N 3.33Å; D781-S784 PolarHBondContact O-OG 2.86Å
782	P	47.9	Very low	54.7	Low	122 Å²	122	81.6 Å²	81.6	79%	0.792	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-8.1	-177	23.8	-32.7	0	0	0	113.8	V780	V780-P782 WeakPolarHBondContact O-CD 3.37Å
783	N	48.1	Very low	53.3	Low	158 Å²	158	83.7 Å²	83.7	85%	0.845	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	5.3	177.3	-64.5	-18.5	0	0	0	113.6	D781 A785	D781-N783 PolarHBondContact O-N 2.8Å; N783-A785 PolarHBondContact O-N 3.12Å
784	S	48.7	Very low	52.4	Low	34 Å²	34	90.7 Å²	90.7	24%	0.238	55%	0.548	C	S	.	.			trans	-69.4	124.8	179.9	-59.6	0	0	0	0	111.1	D781 V786	D781-S784 WeakPolarHBondContact O-CB 3.38Å; D781-S784 PolarHBondContact O-N 3.33Å; D781-S784 PolarHBondContact O-OG 2.86Å; S784-V786 PolarHBondContact O-N 3.13Å
785	A	48.6	Very low	51.5	Low	74 Å²	74	89.9 Å²	89.9	61%	0.612	54%	0.538	S	S	*	.			trans	-60.9	129.2	-177.4	0	0	0	0	0	112.2	N783 V787	N783-A785 PolarHBondContact O-N 3.12Å; A785-V787 PolarHBondContact O-N 3.31Å
786	V	56.2	Low	51.5	Low	75 Å²	75	87.1 Å²	87.1	46%	0.455	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	111.2	169.8	179.1	0	0	0	0	107.5	S784 Q794 M795	S784-V786 PolarHBondContact O-N 3.13Å; V786-Q794 HydrophobicContact CG1-CB 4.05Å; V786-Q794 HydrophobicContact CG1-CG 4.46Å; V786-M795 CarbonylContact C-O 3.6Å; V786-M795 WeakPolarHBondContact CA-O 3.49Å; V786-M795 WeakPolarHBondContact CG1-O 3.25Å
787	V	55.3	Low	51.8	Low	72 Å²	72	92.2 Å²	92.2	44%	0.436	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-32.8	-170.9	-176.2	0	0	0	0	111.4	A785 M795 W797	A785-V787 PolarHBondContact O-N 3.31Å; V787-M795 PolarHBondContact N-O 3.43Å; V787-W797 HydrophobicContact CG2-CB 3.83Å; V787-W797 HydrophobicContact CG2-CE3 4.17Å
788	V	52.6	Low	52.1	Low	65 Å²	65	90.5 Å²	90.5	39%	0.394	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	124.3	-179.3	-179.4	0	0	0	0	109.3	I790 M795	V788-I790 HydrophobicContact CG1-CD1 3.87Å; V788-I790 HydrophobicContact CG1-CG1 3.83Å; V788-M795 HydrophobicContact CB-CB 4.35Å; V788-M795 PolarHBondContact O-N 3.26Å
789	S	42.3	Very low	52.8	Low	95 Å²	95	87 Å²	87	66%	0.664	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	118	166.6	63.8	0	0	0	0	109.7	L793	S789-L793 WeakPolarHBondContact CA-O 3.34Å
790	I	48	Very low	54.3	Low	128 Å²	128	84.6 Å²	84.6	66%	0.656	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.1	98.4	173.3	-64.7	170.7	0	0	0	106.7	V788 S792 L793	V788-I790 HydrophobicContact CG1-CD1 3.87Å; V788-I790 HydrophobicContact CG1-CG1 3.83Å; I790-S792 PolarHBondContact O-N 2.86Å; I790-L793 PolarHBondContact N-O 2.89Å; I790-L793 VanDerWaalsContact N-O 3.16Å; I790-L793 WeakPolarHBondContact O-CB 3.24Å; I790-L793 PolarHBondContact O-N 3.31Å; I790-L793 VanDerWaalsContact O-N 3.16Å
791	G	59.8	Low	55.5	Low	80 Å²	80	84.5 Å²	84.5	83%	0.825	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	-123	-179.1	0	0	0	0	0	112.5	L793	G791-L793 PolarHBondContact O-N 3.37Å
792	S	47.7	Very low	56.7	Low	129 Å²	129	80 Å²	80	90%	0.902	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	1.8	178.6	60.2	0	0	0	0	114.3	I790	I790-S792 PolarHBondContact O-N 2.86Å
793	L	50.3	Low	57.6	Low	45 Å²	45	74.5 Å²	74.5	24%	0.236	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	121.8	178.9	-120.2	88	0	0	0	110.7	S789 I790 G791 M795 M1019	S789-L793 WeakPolarHBondContact CA-O 3.34Å; I790-L793 PolarHBondContact N-O 2.89Å; I790-L793 VanDerWaalsContact N-O 3.16Å; I790-L793 WeakPolarHBondContact O-CB 3.24Å; I790-L793 PolarHBondContact O-N 3.31Å; I790-L793 VanDerWaalsContact O-N 3.16Å; G791-L793 PolarHBondContact O-N 3.37Å; L793-M795 HydrophobicContact CD2-CE 3.79Å; L793-M795 HydrophobicContact CD2-CG 4.39Å; L793-M795 HydrophobicContact CD2-SD 4.43Å; L793-M795 HydrophobicContact CG-CE 4.26Å; L793-M1019 HydrophobicContact CD1-CB 4.47Å; L793-M1019 HydrophobicContact CD1-CE 3.34Å; L793-M1019 HydrophobicContact CD1-CG 4.1Å; L793-M1019 HydrophobicContact CD1-SD 4.47Å; L793-M1019 HydrophobicContact CD2-CB 4.21Å; L793-M1019 HydrophobicContact CD2-CE 3.88Å; L793-M1019 HydrophobicContact CG-CE 4.24Å
794	Q	58.4	Low	58.7	Low	148 Å²	148	70.3 Å²	70.3	69%	0.692	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	121.8	168.9	-67	178.6	-12	0	0	108.2	V786	V786-Q794 HydrophobicContact CG1-CB 4.05Å; V786-Q794 HydrophobicContact CG1-CG 4.46Å
795	M	57.8	Low	59.6	Low	22 Å²	22	72.6 Å²	72.6	11%	0.108	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	131.4	-179.3	-70.1	-77.2	109.2	0	0	110.7	V786 V787 V788 L793 L1023	V786-M795 CarbonylContact C-O 3.6Å; V786-M795 WeakPolarHBondContact CA-O 3.49Å; V786-M795 WeakPolarHBondContact CG1-O 3.25Å; V787-M795 PolarHBondContact N-O 3.43Å; V788-M795 HydrophobicContact CB-CB 4.35Å; V788-M795 PolarHBondContact O-N 3.26Å; L793-M795 HydrophobicContact CD2-CE 3.79Å; L793-M795 HydrophobicContact CD2-CG 4.39Å; L793-M795 HydrophobicContact CD2-SD 4.43Å; L793-M795 HydrophobicContact CG-CE 4.26Å; M795-L1023 HydrophobicContact CE-CD1 4.38Å; M795-L1023 HydrophobicContact CG-CD1 3.94Å; M795-L1023 HydrophobicContact SD-CD1 3.2Å; M795-L1023 WeakPolarHBondContact SD-CD1 3.49Å
796	T	66.6	Low	60.8	Low	23 Å²	23	69 Å²	69	14%	0.141	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	158.8	179.6	68.3	0	0	0	0	111.2	Q798 D799	T796-Q798 PolarHBondContact O-N 3.14Å; T796-D799 PolarHBondContact N-OD2 3.06Å; T796-D799 WeakPolarHBondContact O-CB 3.35Å; T796-D799 PolarHBondContact O-N 2.73Å; T796-D799 PolarHBondContact OG1-N 2.87Å; T796-D799 PolarHBondContact OG1-OD2 2.95Å
797	W	69.2	Low	61.4	Low	161 Å²	161	66.7 Å²	66.7	61%	0.61	38%	0.384	S	S	*	.	H	α-helix	trans	-60.8	-30.4	174.3	-176.1	-118	0	0	0	112.9	V787 D799 I800 M801	V787-W797 HydrophobicContact CG2-CB 3.83Å; V787-W797 HydrophobicContact CG2-CE3 4.17Å; W797-D799 VanDerWaalsContact C-N 3.33Å; W797-D799 PolarHBondContact O-N 3.3Å; W797-I800 HydrophobicContact CE3-CD1 4.11Å; W797-I800 HydrophobicContact CZ3-CD1 4.32Å; W797-I800 HydrophobicContact CZ3-CG2 4.45Å; W797-I800 PolarHBondContact O-N 3.41Å; W797-M801 PolarHBondContact O-N 3Å
798	Q	62.1	Low	62.2	Low	52 Å²	52	69.4 Å²	69.4	24%	0.243	40%	0.395	C	S	.	.	H	α-helix	trans	-64.8	-36.7	177.8	-66.3	175.4	-22.3	0	0	111.7	T796 I800 M801 V802	T796-Q798 PolarHBondContact O-N 3.14Å; Q798-I800 VanDerWaalsContact C-N 3.28Å; Q798-I800 PolarHBondContact O-N 2.92Å; Q798-M801 PolarHBondContact O-N 3.07Å; Q798-V802 WeakPolarHBondContact O-CG2 3.49Å; Q798-V802 PolarHBondContact O-N 2.79Å
799	D	65.3	Low	63.2	Low	28 Å²	28	70.7 Å²	70.7	15%	0.15	40%	0.399	C	S	.	.	H	α-helix	trans	-60.7	-38.4	176.3	-61.4	-47.3	0	0	0	112	W776 T796 W797 G803	W776-D799 WeakPolarHBondContact CH2-OD1 3.38Å; W776-D799 WeakPolarHBondContact CZ3-OD1 3.47Å; T796-D799 PolarHBondContact N-OD2 3.06Å; T796-D799 WeakPolarHBondContact O-CB 3.35Å; T796-D799 PolarHBondContact O-N 2.73Å; T796-D799 PolarHBondContact OG1-N 2.87Å; T796-D799 PolarHBondContact OG1-OD2 2.95Å; W797-D799 VanDerWaalsContact C-N 3.33Å; W797-D799 PolarHBondContact O-N 3.3Å; D799-G803 PolarHBondContact O-N 3.39Å
800	I	68.6	Low	64.7	Low	64 Å²	64	66.4 Å²	66.4	33%	0.328	37%	0.369	S	S	.	.	H	α-helix	trans	-71.8	-43.5	177.6	-61.1	174.1	0	0	0	110.2	W797 Q798 V802 G803 V804	W797-I800 HydrophobicContact CE3-CD1 4.11Å; W797-I800 HydrophobicContact CZ3-CD1 4.32Å; W797-I800 HydrophobicContact CZ3-CG2 4.45Å; W797-I800 PolarHBondContact O-N 3.41Å; Q798-I800 VanDerWaalsContact C-N 3.28Å; Q798-I800 PolarHBondContact O-N 2.92Å; I800-V802 VanDerWaalsContact C-N 3.33Å; I800-V802 PolarHBondContact O-N 3.06Å; I800-G803 WeakPolarHBondContact O-CA 3.4Å; I800-G803 PolarHBondContact O-N 3.07Å; I800-G803 VanDerWaalsContact O-N 3.1Å; I800-V804 PolarHBondContact O-N 3.28Å
801	M	70	Confident	65.9	Low	91 Å²	91	65.6 Å²	65.6	45%	0.448	36%	0.361	S	S	.	.	H	α-helix	trans	-60.2	-41.1	178.3	-175.1	173.5	68.4	0	0	112.4	W797 Q798 G803 V804 Q805	W797-M801 PolarHBondContact O-N 3Å; Q798-M801 PolarHBondContact O-N 3.07Å; M801-G803 VanDerWaalsContact C-N 3.32Å; M801-G803 PolarHBondContact O-N 3.15Å; M801-V804 PolarHBondContact O-N 3.18Å; M801-Q805 WeakPolarHBondContact O-CB 3.24Å; M801-Q805 WeakPolarHBondContact O-CG 3.46Å; M801-Q805 PolarHBondContact O-N 2.93Å
802	V	67.4	Low	66.6	Low	13 Å²	13	65.5 Å²	65.5	8%	0.079	35%	0.346	C	S	.	.	H	α-helix	trans	-63.7	-38.5	175	172.3	0	0	0	0	111.1	F775 Q798 I800 S806	F775-V802 HydrophobicContact CB-CG1 3.8Å; F775-V802 HydrophobicContact CB-CG2 4.36Å; Q798-V802 WeakPolarHBondContact O-CG2 3.49Å; Q798-V802 PolarHBondContact O-N 2.79Å; I800-V802 VanDerWaalsContact C-N 3.33Å; I800-V802 PolarHBondContact O-N 3.06Å; V802-S806 VanDerWaalsContact O-CB 3.27Å; V802-S806 WeakPolarHBondContact O-CB 3.26Å; V802-S806 PolarHBondContact O-N 2.71Å; V802-S806 PolarHBondContact O-OG 2.78Å
803	G	66.9	Low	67.9	Low	8 Å²	8	62.8 Å²	62.8	8%	0.082	32%	0.32	C	S	.	.	H	α-helix	trans	-58.8	-47.6	172.9	0	0	0	0	0	112.9	D799 I800 M801 S806 G807	D799-G803 PolarHBondContact O-N 3.39Å; I800-G803 WeakPolarHBondContact O-CA 3.4Å; I800-G803 PolarHBondContact O-N 3.07Å; I800-G803 VanDerWaalsContact O-N 3.1Å; M801-G803 VanDerWaalsContact C-N 3.32Å; M801-G803 PolarHBondContact O-N 3.15Å; G803-S806 PolarHBondContact O-N 2.67Å; G803-G807 PolarHBondContact O-N 3.18Å
804	V	70.6	Confident	68.9	Low	69 Å²	69	61.7 Å²	61.7	42%	0.418	32%	0.315	S	S	.	.	H	α-helix	trans	-65.2	-46.5	178.5	174.9	0	0	0	0	111.8	I800 M801 S806 G807 L808	I800-V804 PolarHBondContact O-N 3.28Å; M801-V804 PolarHBondContact O-N 3.18Å; V804-S806 VanDerWaalsContact C-N 3.33Å; V804-S806 PolarHBondContact O-N 3.01Å; V804-G807 PolarHBondContact O-N 2.85Å; V804-L808 PolarHBondContact O-N 2.54Å
805	Q	68.9	Low	69.8	Low	82 Å²	82	57.5 Å²	57.5	38%	0.383	30%	0.296	S	S	.	.	H	α-helix	trans	-60.3	-43.4	177	-76	178.8	-19	0	0	111.6	M801 G807 L808 L809	M801-Q805 WeakPolarHBondContact O-CB 3.24Å; M801-Q805 WeakPolarHBondContact O-CG 3.46Å; M801-Q805 PolarHBondContact O-N 2.93Å; Q805-G807 VanDerWaalsContact C-N 3.32Å; Q805-G807 PolarHBondContact O-N 2.97Å; Q805-L808 PolarHBondContact O-N 3.28Å; Q805-L809 WeakPolarHBondContact O-CG 3.15Å; Q805-L809 PolarHBondContact O-N 3.16Å
806	S	72.8	Confident	70.9	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-61.2	-40.9	176.2	-57.9	0	0	0	0	111.9	I771 V802 G803 V804 M810	I771-S806 WeakPolarHBondContact CG2-OG 3.37Å; V802-S806 VanDerWaalsContact O-CB 3.27Å; V802-S806 WeakPolarHBondContact O-CB 3.26Å; V802-S806 PolarHBondContact O-N 2.71Å; V802-S806 PolarHBondContact O-OG 2.78Å; G803-S806 PolarHBondContact O-N 2.67Å; V804-S806 VanDerWaalsContact C-N 3.33Å; V804-S806 PolarHBondContact O-N 3.01Å; S806-M810 WeakPolarHBondContact O-CG 3.34Å; S806-M810 PolarHBondContact O-N 3Å
807	G	69.3	Low	71.5	Confident	26 Å²	26	60.4 Å²	60.4	27%	0.268	31%	0.311	S	S	.	.	H	α-helix	trans	-64.1	-40.3	175.9	0	0	0	0	0	113.3	G803 V804 Q805 M810 F811	G803-G807 PolarHBondContact O-N 3.18Å; V804-G807 PolarHBondContact O-N 2.85Å; Q805-G807 VanDerWaalsContact C-N 3.32Å; Q805-G807 PolarHBondContact O-N 2.97Å; G807-M810 PolarHBondContact O-N 2.95Å; G807-F811 PolarHBondContact O-N 2.62Å
808	L	72.6	Confident	72	Confident	128 Å²	128	53 Å²	53	67%	0.67	28%	0.284	S	S	*	.	H	α-helix	trans	-70.8	-41.1	-178.8	-160.7	149.8	0	0	0	112	V804 Q805 M810 F811 P812	V804-L808 PolarHBondContact O-N 2.54Å; Q805-L808 PolarHBondContact O-N 3.28Å; L808-M810 VanDerWaalsContact C-N 3.31Å; L808-M810 PolarHBondContact O-N 2.84Å; L808-F811 WeakPolarHBondContact O-CB 3.27Å; L808-F811 PolarHBondContact O-N 2.96Å; L808-P812 WeakPolarHBondContact O-CD 3.39Å
809	L	73.3	Confident	72.7	Confident	92 Å²	92	53.8 Å²	53.8	48%	0.482	29%	0.292	S	S	.	.	H	α-helix	trans	-64	-35.6	175.6	-72	173.9	0	0	0	112.6	I771 F775 Q805 P812	I771-L809 HydrophobicContact CD1-CB 4.47Å; I771-L809 HydrophobicContact CG2-CD1 4.29Å; F775-L809 HydrophobicContact CE2-CD1 4.17Å; Q805-L809 WeakPolarHBondContact O-CG 3.15Å; Q805-L809 PolarHBondContact O-N 3.16Å; L809-P812 WeakPolarHBondContact O-CD 3.23Å
810	M	73.5	Confident	73.6	Confident	6 Å²	6	53.7 Å²	53.7	3%	0.03	29%	0.291	C	S	.	.	H	α-helix	trans	-79.3	-22	179.9	-75	-54.1	-54.7	0	0	114	C767 I771 S806 G807 L808 P812 I813 N814	C767-M810 HydrophobicContact CB-CE 3.23Å; C767-M810 HydrophobicContact CB-CG 4.26Å; C767-M810 HydrophobicContact CB-SD 3.37Å; C767-M810 WeakPolarHBondContact CB-SD 3.3Å; I771-M810 HydrophobicContact CD1-CG 3.52Å; I771-M810 HydrophobicContact CD1-SD 3.4Å; I771-M810 WeakPolarHBondContact CD1-SD 3.41Å; S806-M810 WeakPolarHBondContact O-CG 3.34Å; S806-M810 PolarHBondContact O-N 3Å; G807-M810 PolarHBondContact O-N 2.95Å; L808-M810 VanDerWaalsContact C-N 3.31Å; L808-M810 PolarHBondContact O-N 2.84Å; M810-P812 VanDerWaalsContact C-CD 3.49Å; M810-I813 HydrophobicContact CE-CB 4.41Å; M810-I813 HydrophobicContact CE-CG2 4.44Å; M810-I813 PolarHBondContact O-N 3.35Å; M810-I813 HydrophobicContact SD-CD1 4.43Å; M810-N814 WeakPolarHBondContact CE-OD1 3.48Å; M810-N814 WeakPolarHBondContact O-CB 3.37Å; M810-N814 PolarHBondContact O-N 2.67Å; M810-N814 VanDerWaalsContact O-N 3.08Å; M810-N814 PolarHBondContact O-ND2 2.94Å; M810-N814 VanDerWaalsContact O-ND2 3.12Å; M810-N814 PolarHBondContact O-OD1 3.49Å
811	F	73.2	Confident	74.3	Confident	110 Å²	110	50.6 Å²	50.6	48%	0.482	28%	0.275	S	S	.	.	H	α-helix	trans	-53.1	-45.9	-174.7	-176.9	-100.4	0	0	0	114.5	G807 L808 I815 K1036	G807-F811 PolarHBondContact O-N 2.62Å; L808-F811 WeakPolarHBondContact O-CB 3.27Å; L808-F811 PolarHBondContact O-N 2.96Å; F811-I815 HydrophobicContact CD1-CD1 3.78Å; F811-I815 HydrophobicContact CD2-CD1 4.27Å; F811-I815 HydrophobicContact CE1-CD1 3.31Å; F811-I815 HydrophobicContact CE2-CD1 3.86Å; F811-I815 HydrophobicContact CG-CD1 4.25Å; F811-I815 HydrophobicContact CZ-CD1 3.36Å; F811-I815 WeakPolarHBondContact O-CG1 3.37Å; F811-I815 PolarHBondContact O-N 2.97Å; F811-I815 VanDerWaalsContact O-N 3.1Å; F811-K1036 HydrophobicContact CE2-CD 4.33Å
812	P	73.8	Confident	74.7	Confident	78 Å²	78	49.4 Å²	49.4	51%	0.506	27%	0.266	S	S	.	.	H	α-helix	trans	-69.4	-42	-178	-17.1	31.9	0	0	0	113.1	L808 L809 M810 N814 I815 L816	L808-P812 WeakPolarHBondContact O-CD 3.39Å; L809-P812 WeakPolarHBondContact O-CD 3.23Å; M810-P812 VanDerWaalsContact C-CD 3.49Å; P812-N814 VanDerWaalsContact C-N 3.31Å; P812-N814 PolarHBondContact O-N 3.32Å; P812-I815 PolarHBondContact O-N 3.31Å; P812-L816 WeakPolarHBondContact O-CB 3.26Å; P812-L816 PolarHBondContact O-N 3.39Å
813	I	75.1	Confident	75.1	Confident	72 Å²	72	50.3 Å²	50.3	37%	0.369	27%	0.273	S	S	.	.	H	α-helix	trans	-64.2	-42	-179	-61.2	171.2	0	0	0	109.7	M810 L816 I817 I994	M810-I813 HydrophobicContact CE-CB 4.41Å; M810-I813 HydrophobicContact CE-CG2 4.44Å; M810-I813 PolarHBondContact O-N 3.35Å; M810-I813 HydrophobicContact SD-CD1 4.43Å; I813-L816 WeakPolarHBondContact O-CB 3.44Å; I813-L816 PolarHBondContact O-N 3.03Å; I813-I817 HydrophobicContact CG2-CD1 4.05Å; I813-I817 WeakPolarHBondContact O-CG1 3.12Å; I813-I817 PolarHBondContact O-N 3.49Å; I813-I994 HydrophobicContact CG2-CD1 3.93Å
814	N	71.6	Confident	75.6	Confident	22 Å²	22	50.8 Å²	50.8	12%	0.118	27%	0.273	C	S	.	.	H	α-helix	trans	-67.9	-42	-179.5	-62.1	-11.8	0	0	0	111.3	L764 M810 P812 L816 I818	L764-N814 HydrophobicContact CD2-CB 3.82Å; L764-N814 VanDerWaalsContact CD2-ND2 3.27Å; L764-N814 WeakPolarHBondContact CD2-ND2 3.42Å; L764-N814 WeakPolarHBondContact CD2-OD1 3.45Å; M810-N814 WeakPolarHBondContact CE-OD1 3.48Å; M810-N814 WeakPolarHBondContact O-CB 3.37Å; M810-N814 PolarHBondContact O-N 2.67Å; M810-N814 VanDerWaalsContact O-N 3.08Å; M810-N814 PolarHBondContact O-ND2 2.94Å; M810-N814 VanDerWaalsContact O-ND2 3.12Å; M810-N814 PolarHBondContact O-OD1 3.49Å; P812-N814 VanDerWaalsContact C-N 3.31Å; P812-N814 PolarHBondContact O-N 3.32Å; N814-L816 VanDerWaalsContact C-N 3.3Å; N814-L816 PolarHBondContact O-N 3.47Å; N814-I818 VanDerWaalsContact O-CB 3.27Å; N814-I818 WeakPolarHBondContact O-CB 3.33Å; N814-I818 VanDerWaalsContact O-CD1 3.23Å; N814-I818 WeakPolarHBondContact O-CD1 3.39Å; N814-I818 WeakPolarHBondContact O-CG1 3.15Å; N814-I818 PolarHBondContact O-N 2.89Å
815	I	77.4	Confident	75.4	Confident	60 Å²	60	53 Å²	53	31%	0.308	27%	0.274	S	S	.	.	H	α-helix	trans	-60	-43.2	173	-75.6	175.9	0	0	0	110.6	F811 P812 T819	F811-I815 HydrophobicContact CD1-CD1 3.78Å; F811-I815 HydrophobicContact CD2-CD1 4.27Å; F811-I815 HydrophobicContact CE1-CD1 3.31Å; F811-I815 HydrophobicContact CE2-CD1 3.86Å; F811-I815 HydrophobicContact CG-CD1 4.25Å; F811-I815 HydrophobicContact CZ-CD1 3.36Å; F811-I815 WeakPolarHBondContact O-CG1 3.37Å; F811-I815 PolarHBondContact O-N 2.97Å; F811-I815 VanDerWaalsContact O-N 3.1Å; P812-I815 PolarHBondContact O-N 3.31Å; I815-T819 WeakPolarHBondContact O-CB 3.29Å; I815-T819 PolarHBondContact O-N 3.29Å; I815-T819 PolarHBondContact O-OG1 2.85Å
816	L	80.3	Confident	75.2	Confident	103 Å²	103	53.6 Å²	53.6	54%	0.539	29%	0.285	S	S	.	.	H	α-helix	trans	-60.7	-53.4	-179.3	-177.5	66.8	0	0	0	111.8	P812 I813 N814 I818 T819 I820	P812-L816 WeakPolarHBondContact O-CB 3.26Å; P812-L816 PolarHBondContact O-N 3.39Å; I813-L816 WeakPolarHBondContact O-CB 3.44Å; I813-L816 PolarHBondContact O-N 3.03Å; N814-L816 VanDerWaalsContact C-N 3.3Å; N814-L816 PolarHBondContact O-N 3.47Å; L816-I818 PolarHBondContact O-N 3.01Å; L816-T819 PolarHBondContact O-N 3.3Å; L816-I820 HydrophobicContact CG-CD1 4.25Å; L816-I820 WeakPolarHBondContact O-CG1 3.4Å; L816-I820 PolarHBondContact O-N 2.88Å
817	I	79.8	Confident	74.4	Confident	3 Å²	3	61.7 Å²	61.7	2%	0.015	32%	0.315	C	S	.	.	H	α-helix	trans	-61.5	-45.5	-178.7	-63.4	168	0	0	0	110.9	I813 T819 I820 F821 L991 I994	I813-I817 HydrophobicContact CG2-CD1 4.05Å; I813-I817 WeakPolarHBondContact O-CG1 3.12Å; I813-I817 PolarHBondContact O-N 3.49Å; I817-T819 VanDerWaalsContact C-N 3.31Å; I817-T819 PolarHBondContact O-N 3Å; I817-I820 PolarHBondContact O-N 2.66Å; I817-F821 HydrophobicContact CG2-CD2 3.91Å; I817-F821 HydrophobicContact CG2-CE2 3.77Å; I817-F821 WeakPolarHBondContact O-CD2 3.43Å; I817-F821 PolarHBondContact O-N 3.24Å; I817-F821 VanDerWaalsContact O-N 3.12Å; I817-L991 HydrophobicContact CG2-CG 4.31Å; I817-I994 HydrophobicContact CD1-CD1 3.68Å
818	I	79	Confident	73.8	Confident	7 Å²	7	64.9 Å²	64.9	4%	0.036	33%	0.325	C	S	.	.	H	α-helix	trans	-62.7	-41.3	178.4	-67.1	167.2	0	0	0	110.4	I739 F752 N814 L816 F821 R822	I739-I818 HydrophobicContact CD1-CD1 3.77Å; I739-I818 HydrophobicContact CD1-CG1 3.88Å; F752-I818 HydrophobicContact CE1-CG2 4.2Å; N814-I818 VanDerWaalsContact O-CB 3.27Å; N814-I818 WeakPolarHBondContact O-CB 3.33Å; N814-I818 VanDerWaalsContact O-CD1 3.23Å; N814-I818 WeakPolarHBondContact O-CD1 3.39Å; N814-I818 WeakPolarHBondContact O-CG1 3.15Å; N814-I818 PolarHBondContact O-N 2.89Å; L816-I818 PolarHBondContact O-N 3.01Å; I818-F821 PolarHBondContact O-N 3.08Å; I818-R822 HydrophobicContact CG2-CG 4.31Å; I818-R822 VanDerWaalsContact CG2-NE 3.33Å; I818-R822 WeakPolarHBondContact O-CB 3.09Å; I818-R822 VanDerWaalsContact O-CG 3.26Å; I818-R822 WeakPolarHBondContact O-CG 3.31Å; I818-R822 PolarHBondContact O-N 3.35Å
819	T	78.3	Confident	72.9	Confident	68 Å²	68	64.1 Å²	64.1	42%	0.417	33%	0.326	S	S	.	.	H	α-helix	trans	-65.9	-38.9	179	-58.7	0	0	0	0	111.4	I815 L816 I817 R822 S823	I815-T819 WeakPolarHBondContact O-CB 3.29Å; I815-T819 PolarHBondContact O-N 3.29Å; I815-T819 PolarHBondContact O-OG1 2.85Å; L816-T819 PolarHBondContact O-N 3.3Å; I817-T819 VanDerWaalsContact C-N 3.31Å; I817-T819 PolarHBondContact O-N 3Å; T819-R822 PolarHBondContact O-N 2.88Å; T819-S823 VanDerWaalsContact O-CB 3.24Å; T819-S823 WeakPolarHBondContact O-CB 3.41Å; T819-S823 PolarHBondContact O-N 3.46Å; T819-S823 PolarHBondContact O-OG 2.88Å
820	I	82.6	Confident	71.4	Confident	25 Å²	25	64.2 Å²	64.2	13%	0.128	33%	0.334	C	S	.	.	H	α-helix	trans	-58.1	-56.4	173.8	-68.5	166	0	0	0	109.6	L816 I817 R822 S823 I824 L979 L990	L816-I820 HydrophobicContact CG-CD1 4.25Å; L816-I820 WeakPolarHBondContact O-CG1 3.4Å; L816-I820 PolarHBondContact O-N 2.88Å; I817-I820 PolarHBondContact O-N 2.66Å; I820-R822 VanDerWaalsContact C-N 3.32Å; I820-R822 PolarHBondContact O-N 2.77Å; I820-S823 PolarHBondContact O-N 3.1Å; I820-I824 WeakPolarHBondContact O-CG1 3.47Å; I820-I824 PolarHBondContact O-N 2.82Å; I820-L979 HydrophobicContact CG2-CD1 4.22Å; I820-L990 HydrophobicContact CD1-CD1 3.92Å
821	F	84.8	Confident	69.8	Low	0 Å²	0	72.2 Å²	72.2	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-63	-35.5	-177.8	-75.5	-63.7	0	0	0	113.8	F752 Q756 I817 I818 S823 I824 V984 G987 W988 L991	F752-F821 HydrophobicContact CD2-CB 3.52Å; F752-F821 HydrophobicContact CD2-CG 4.23Å; F752-F821 HydrophobicContact CE2-CB 3.71Å; F752-F821 HydrophobicContact CE2-CD2 4.15Å; F752-F821 HydrophobicContact CE2-CG 4.09Å; F752-F821 HydrophobicContact CG-CB 4.33Å; Q756-F821 HydrophobicContact CB-CD1 4.32Å; Q756-F821 HydrophobicContact CB-CG 4.39Å; Q756-F821 HydrophobicContact CG-CD1 3.85Å; Q756-F821 HydrophobicContact CG-CE1 3.86Å; Q756-F821 HydrophobicContact CG-CG 4.41Å; Q756-F821 HydrophobicContact CG-CZ 4.42Å; I817-F821 HydrophobicContact CG2-CD2 3.91Å; I817-F821 HydrophobicContact CG2-CE2 3.77Å; I817-F821 WeakPolarHBondContact O-CD2 3.43Å; I817-F821 PolarHBondContact O-N 3.24Å; I817-F821 VanDerWaalsContact O-N 3.12Å; I818-F821 PolarHBondContact O-N 3.08Å; F821-S823 VanDerWaalsContact C-N 3.28Å; F821-S823 PolarHBondContact O-N 3.41Å; F821-I824 HydrophobicContact CD1-CD1 3.84Å; F821-I824 HydrophobicContact CE1-CD1 4.47Å; F821-V984 HydrophobicContact CE1-CG2 4.31Å; F821-G987 VanDerWaalsContact CZ-C 3.41Å; F821-W988 HydrophobicContact CZ-CD2 4.41Å; F821-W988 HydrophobicContact CZ-CG 4.44Å; F821-L991 HydrophobicContact CE2-CD1 3.55Å; F821-L991 HydrophobicContact CE2-CG 4.4Å; F821-L991 HydrophobicContact CZ-CD1 3.85Å
822	R	76.9	Confident	68.1	Low	66 Å²	66	71.2 Å²	71.2	25%	0.249	38%	0.375	C	S	.	.	H	α-helix	trans	-68.4	-26.9	175.1	-75.4	-178.7	-175.7	167.6	10.5	113.7	D736 E737 P751 F752 I818 T819 I820	D736-R822 PolarHBondContact O-NH2 2.95Å; E737-R822 VanDerWaalsContact CA-NH2 3.31Å; P751-R822 WeakPolarHBondContact CG-O 3.2Å; F752-R822 HydrophobicContact CB-CG 4.13Å; F752-R822 HydrophobicContact CD1-CG 4.2Å; F752-R822 HydrophobicContact CG-CG 4.38Å; I818-R822 HydrophobicContact CG2-CG 4.31Å; I818-R822 VanDerWaalsContact CG2-NE 3.33Å; I818-R822 WeakPolarHBondContact O-CB 3.09Å; I818-R822 VanDerWaalsContact O-CG 3.26Å; I818-R822 WeakPolarHBondContact O-CG 3.31Å; I818-R822 PolarHBondContact O-N 3.35Å; T819-R822 PolarHBondContact O-N 2.88Å; I820-R822 VanDerWaalsContact C-N 3.32Å; I820-R822 PolarHBondContact O-N 2.77Å
823	S	75.6	Confident	66.4	Low	32 Å²	32	77.3 Å²	77.3	22%	0.224	39%	0.394	C	S	.	.	H	α-helix	trans	-90.3	-7.3	-175.5	-55.7	0	0	0	0	113.1	T819 I820 F821 K978 L979	T819-S823 VanDerWaalsContact O-CB 3.24Å; T819-S823 WeakPolarHBondContact O-CB 3.41Å; T819-S823 PolarHBondContact O-N 3.46Å; T819-S823 PolarHBondContact O-OG 2.88Å; I820-S823 PolarHBondContact O-N 3.1Å; F821-S823 VanDerWaalsContact C-N 3.28Å; F821-S823 PolarHBondContact O-N 3.41Å; S823-K978 CarbonylContact O-C 3.5Å; S823-K978 WeakPolarHBondContact O-CA 3.46Å; S823-L979 PolarHBondContact O-N 3.3Å
824	I	78.5	Confident	64.4	Low	18 Å²	18	80.6 Å²	80.6	9%	0.092	41%	0.412	C	S	.	.	B	Isolated β-bridge	trans	-71.8	133.1	-179.5	-68.7	164	0	0	0	111.1	I820 F821 C983 V984	I820-I824 WeakPolarHBondContact O-CG1 3.47Å; I820-I824 PolarHBondContact O-N 2.82Å; F821-I824 HydrophobicContact CD1-CD1 3.84Å; F821-I824 HydrophobicContact CE1-CD1 4.47Å; I824-C983 HydrophobicContact CG1-CB 4.36Å; I824-V984 HydrophobicContact CD1-CB 3.89Å; I824-V984 HydrophobicContact CD1-CG2 4.12Å
825	R	67.1	Low	62.8	Low	115 Å²	115	86.2 Å²	86.2	43%	0.434	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-74.2	135	171.4	-65.7	-172	-169.1	-168.1	6.2	111.9	K978 L979	R825-K978 HydrophobicContact CG-CB 3.93Å; R825-L979 PolarHBondContact N-O 3.4Å
826	P	62.9	Low	60.8	Low	94 Å²	94	89.3 Å²	89.3	61%	0.61	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-63.4	139.5	172.5	26.1	-31.7	0	0	0	110.5	I828	P826-I828 PolarHBondContact O-N 2.96Å
827	R	57.3	Low	59	Low	170 Å²	170	89.4 Å²	89.4	64%	0.642	47%	0.466	S	S	*	.			trans	-77.4	107.8	174.2	-173.9	179.2	-177.1	-171.5	1.7	108.5	V829 W981	R827-V829 HydrophobicContact CG-CG2 4.45Å; R827-V829 PolarHBondContact O-N 3.21Å; R827-V829 VanDerWaalsContact O-N 3.15Å; R827-W981 HydrophobicContact CB-CG 4.32Å
828	I	57.3	Low	57.2	Low	93 Å²	93	96 Å²	96	48%	0.477	50%	0.501	S	S	.	.			trans	-74	104.4	171.7	-57.9	171.6	0	0	0	107.2	P826 S830 E1057	P826-I828 PolarHBondContact O-N 2.96Å; I828-S830 PolarHBondContact O-N 3.21Å; I828-E1057 HydrophobicContact CD1-CB 3.79Å; I828-E1057 WeakPolarHBondContact CD1-OE2 3.38Å
829	V	52.7	Low	55.3	Low	112 Å²	112	104.1 Å²	104.1	68%	0.679	54%	0.539	S	S	*	.			trans	-81.8	105.1	168.2	-178.3	0	0	0	0	106.2	R827 K831	R827-V829 HydrophobicContact CG-CG2 4.45Å; R827-V829 PolarHBondContact O-N 3.21Å; R827-V829 VanDerWaalsContact O-N 3.15Å; V829-K831 PolarHBondContact O-N 3.36Å
830	S	42	Very low	53.5	Low	94 Å²	94	107.9 Å²	107.9	66%	0.657	56%	0.555	S	S	*	*			trans	-58.1	113.4	165.4	55.2	0	0	0	0	107.2	I828 S832	I828-S830 PolarHBondContact O-N 3.21Å; S830-S832 PolarHBondContact O-N 3.49Å
831	K	40.6	Very low	51.5	Low	174 Å²	174	115.3 Å²	115.3	76%	0.757	59%	0.587	S	S	*	*			trans	-52.2	120.7	168.3	-92.9	-173.5	171.9	-171.3	0	107	V829 K833	V829-K831 PolarHBondContact O-N 3.36Å; K831-K833 PolarHBondContact O-N 3.32Å
832	S	36.8	Very low	49.2	Very low	89 Å²	89	124.8 Å²	124.8	62%	0.622	63%	0.628	S	S	*	*			trans	-59.9	129.3	167.5	51.1	0	0	0	0	107.7	S830 N834	S830-S832 PolarHBondContact O-N 3.49Å; S832-N834 PolarHBondContact O-N 3.47Å
833	K	37.1	Very low	47.8	Very low	207 Å²	207	126.8 Å²	126.8	90%	0.9	65%	0.65	S	S	*	*	S	Bend	trans	-51.8	88.7	163.4	-84	178.7	164.6	-176.2	0	109	K831	K831-K833 PolarHBondContact O-N 3.32Å
834	N	34.8	Very low	46.9	Very low	141 Å²	141	129.9 Å²	129.9	75%	0.754	67%	0.669	S	S	*	*			trans	-132.5	11.6	169.9	-92.8	7.2	0	0	0	111.6	S832	S832-N834 PolarHBondContact O-N 3.47Å
835	D	37	Very low	46	Very low	139 Å²	139	133.2 Å²	133.2	74%	0.743	70%	0.699	S	S	*	*	S	Bend	trans	-99.8	114.5	163.3	-62.6	-35.6	0	0	0	106.2	P837	D835-P837 WeakPolarHBondContact O-CD 3.24Å
836	D	36.1	Very low	46.4	Very low	126 Å²	126	130 Å²	130	67%	0.674	69%	0.692	S	S	*	*			trans	-56.6	117.3	176.1	-138	-14.9	0	0	0	108.1	D838	D836-D838 PolarHBondContact O-N 3.09Å
837	P	42.5	Very low	47.4	Very low	105 Å²	105	127.5 Å²	127.5	68%	0.682	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-1.3	-173.9	25.6	-31.6	0	0	0	113.9	D835	D835-P837 WeakPolarHBondContact O-CD 3.24Å
838	D	41.4	Very low	48.6	Very low	140 Å²	140	120.5 Å²	120.5	75%	0.749	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-4.6	-173.1	-73.4	-17.7	0	0	0	114.6	D836	D836-D838 PolarHBondContact O-N 3.09Å
839	E	39	Very low	50	Low	179 Å²	179	120.3 Å²	120.3	84%	0.836	66%	0.657	S	S	*	*	S	Bend	trans	-98.4	-8.1	-170.6	-110.1	-168.8	170.7	0	0	117.9
840	I	41.5	Very low	51.5	Low	146 Å²	146	117 Å²	117	75%	0.749	64%	0.638	S	S	*	*	S	Bend	trans	-113	-13.8	-172.3	-64.5	-179.7	0	0	0	116.1
841	F	40.1	Very low	53.7	Low	182 Å²	182	112.6 Å²	112.6	80%	0.798	61%	0.606	S	S	*	*			trans	-143.2	101.5	170.8	-79.8	-85.9	0	0	0	111.4	P843	F841-P843 WeakPolarHBondContact O-CD 3.41Å
842	K	36.3	Very low	55.9	Low	198 Å²	198	104.5 Å²	104.5	86%	0.861	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-58.4	120.6	153	-79.9	178.9	177.7	175.5	0	106.3
843	P	48.2	Very low	58.4	Low	108 Å²	108	103.8 Å²	103.8	70%	0.701	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-55.7	130.7	174.8	22.1	-30.5	0	0	0	107.4	F841 A845	F841-P843 WeakPolarHBondContact O-CD 3.41Å; P843-A845 PolarHBondContact O-N 3.24Å
844	P	55	Low	60.7	Low	98 Å²	98	95.9 Å²	95.9	64%	0.636	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-52.8	138.5	175.5	21.6	-31	0	0	0	108	V846	P844-V846 PolarHBondContact O-N 3.03Å
845	A	60.8	Low	63.2	Low	88 Å²	88	89.2 Å²	89.2	73%	0.727	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-51.5	119.9	177.3	0	0	0	0	0	108.5	P843 S847	P843-A845 PolarHBondContact O-N 3.24Å; A845-S847 PolarHBondContact O-N 2.76Å; A845-S847 VanDerWaalsContact O-N 3.12Å
846	V	74.3	Confident	65.8	Low	46 Å²	46	85 Å²	85	28%	0.279	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-63.2	118.8	-176.8	-175	0	0	0	0	107.4	P844 V851 N923 K926 L927	P844-V846 PolarHBondContact O-N 3.03Å; V846-V851 HydrophobicContact CG1-CG2 4.26Å; V846-N923 HydrophobicContact CG1-CB 3.89Å; V846-K926 HydrophobicContact CG2-CB 4.38Å; V846-K926 HydrophobicContact CG2-CD 4.18Å; V846-L927 HydrophobicContact CB-CD2 4.47Å; V846-L927 HydrophobicContact CG1-CD1 4.09Å; V846-L927 HydrophobicContact CG1-CD2 4.06Å; V846-L927 HydrophobicContact CG1-CG 3.78Å; V846-L927 VanDerWaalsContact O-CD2 3.25Å; V846-L927 WeakPolarHBondContact O-CD2 3.46Å
847	S	84.1	Confident	68.2	Low	43 Å²	43	82.8 Å²	82.8	30%	0.301	45%	0.451	S	S	.	.			trans	-129.3	158.8	-177.7	75.8	0	0	0	0	110.3	A845 P849 T850 V851	A845-S847 PolarHBondContact O-N 2.76Å; A845-S847 VanDerWaalsContact O-N 3.12Å; S847-P849 WeakPolarHBondContact OG-CD 3.17Å; S847-T850 WeakPolarHBondContact O-CB 3.21Å; S847-T850 PolarHBondContact O-N 3.17Å; S847-T850 VanDerWaalsContact O-N 3.08Å; S847-T850 PolarHBondContact OG-N 3.15Å; S847-T850 PolarHBondContact OG-OG1 3.43Å; S847-V851 PolarHBondContact O-N 2.97Å
848	I	83.9	Confident	70.4	Confident	22 Å²	22	78 Å²	78	11%	0.113	42%	0.42	C	S	.	.	H	α-helix	trans	-56.3	-46.3	176.6	-64.6	-70.8	0	0	0	111.8	T850 V851 L852 L927 N931 F932	I848-T850 VanDerWaalsContact C-N 3.26Å; I848-T850 PolarHBondContact O-N 3.18Å; I848-V851 PolarHBondContact O-N 3.44Å; I848-V851 VanDerWaalsContact O-N 3.08Å; I848-L852 HydrophobicContact CG2-CD1 3.77Å; I848-L852 HydrophobicContact CG2-CG 4.09Å; I848-L852 VanDerWaalsContact O-CG 3.32Å; I848-L852 WeakPolarHBondContact O-CG 3.48Å; I848-L852 PolarHBondContact O-N 2.88Å; I848-L927 HydrophobicContact CD1-CD1 4.03Å; I848-N931 HydrophobicContact CD1-CB 4.05Å; I848-N931 HydrophobicContact CG1-CB 3.79Å; I848-N931 WeakPolarHBondContact CG1-O 3.25Å; I848-F932 HydrophobicContact CD1-CD2 4.16Å; I848-F932 HydrophobicContact CD1-CE1 3.99Å; I848-F932 HydrophobicContact CD1-CE2 3.57Å; I848-F932 HydrophobicContact CD1-CZ 3.48Å; I848-F932 VanDerWaalsContact CD1-CZ 3.48Å
849	P	86	Confident	72.8	Confident	90 Å²	90	71.3 Å²	71.3	58%	0.584	38%	0.384	S	S	*	.	H	α-helix	trans	-57.1	-36.2	174.3	-27.2	35.3	0	0	0	114	S847 N853	S847-P849 WeakPolarHBondContact OG-CD 3.17Å; P849-N853 VanDerWaalsContact O-CB 3.25Å; P849-N853 WeakPolarHBondContact O-CB 3.27Å; P849-N853 PolarHBondContact O-N 2.69Å
850	T	84.4	Confident	75.1	Confident	43 Å²	43	64.5 Å²	64.5	26%	0.264	36%	0.357	S	S	.	.	H	α-helix	trans	-64.2	-45.9	175.1	-48.6	0	0	0	0	110.8	S847 I848 N853 E854	S847-T850 WeakPolarHBondContact O-CB 3.21Å; S847-T850 PolarHBondContact O-N 3.17Å; S847-T850 VanDerWaalsContact O-N 3.08Å; S847-T850 PolarHBondContact OG-N 3.15Å; S847-T850 PolarHBondContact OG-OG1 3.43Å; I848-T850 VanDerWaalsContact C-N 3.26Å; I848-T850 PolarHBondContact O-N 3.18Å; T850-N853 PolarHBondContact O-N 3.2Å; T850-E854 WeakPolarHBondContact O-CG 3.35Å; T850-E854 PolarHBondContact O-N 3.32Å
851	V	87	Confident	77.4	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-65.3	-41.5	179	170	0	0	0	0	112.3	V846 S847 I848 T855 L882 L920 N923 L924 L927	V846-V851 HydrophobicContact CG1-CG2 4.26Å; S847-V851 PolarHBondContact O-N 2.97Å; I848-V851 PolarHBondContact O-N 3.44Å; I848-V851 VanDerWaalsContact O-N 3.08Å; V851-T855 WeakPolarHBondContact O-CB 3.1Å; V851-T855 PolarHBondContact O-N 2.84Å; V851-T855 PolarHBondContact O-OG1 2.92Å; V851-L882 HydrophobicContact CG1-CD1 4.17Å; V851-L882 HydrophobicContact CG1-CD2 4.09Å; V851-L920 HydrophobicContact CG1-CD1 3.48Å; V851-L920 VanDerWaalsContact CG1-CD1 3.48Å; V851-N923 HydrophobicContact CG2-CB 4.01Å; V851-L924 HydrophobicContact CG1-CD2 4.25Å; V851-L927 HydrophobicContact CG2-CD1 3.64Å
852	L	88.7	Confident	79.8	Confident	5 Å²	5	50 Å²	50	3%	0.026	29%	0.288	C	S	.	.	H	α-helix	trans	-61.6	-49	175.2	-66.4	171.6	0	0	0	110.8	I848 E854 T855 E856 L876 A878 L882	I848-L852 HydrophobicContact CG2-CD1 3.77Å; I848-L852 HydrophobicContact CG2-CG 4.09Å; I848-L852 VanDerWaalsContact O-CG 3.32Å; I848-L852 WeakPolarHBondContact O-CG 3.48Å; I848-L852 PolarHBondContact O-N 2.88Å; L852-E854 PolarHBondContact O-N 3.39Å; L852-T855 PolarHBondContact O-N 3.5Å; L852-E856 WeakPolarHBondContact O-CB 3.28Å; L852-E856 PolarHBondContact O-N 2.78Å; L852-L876 HydrophobicContact CB-CB 4.04Å; L852-L876 HydrophobicContact CD2-CB 4.01Å; L852-A878 VanDerWaalsContact CD2-O 3.23Å; L852-A878 WeakPolarHBondContact CD2-O 3.15Å; L852-L882 HydrophobicContact CD2-CD1 4.21Å; L852-L882 HydrophobicContact CD2-CD2 3.76Å; L852-L882 HydrophobicContact CD2-CG 3.61Å
853	N	87.6	Confident	82.3	Confident	74 Å²	74	41.5 Å²	41.5	40%	0.396	25%	0.254	S	S	.	.	H	α-helix	trans	-62.1	-42.7	179.3	-175	35.8	0	0	0	112.7	P849 T850 E856 K857	P849-N853 VanDerWaalsContact O-CB 3.25Å; P849-N853 WeakPolarHBondContact O-CB 3.27Å; P849-N853 PolarHBondContact O-N 2.69Å; T850-N853 PolarHBondContact O-N 3.2Å; N853-E856 PolarHBondContact O-N 2.81Å; N853-K857 WeakPolarHBondContact ND2-CE 3.47Å; N853-K857 PolarHBondContact ND2-NZ 3.3Å; N853-K857 WeakPolarHBondContact O-CB 3.22Å; N853-K857 VanDerWaalsContact O-CG 3.26Å; N853-K857 WeakPolarHBondContact O-CG 3.45Å; N853-K857 PolarHBondContact O-N 3.07Å; N853-K857 WeakPolarHBondContact OD1-CE 3.41Å
854	E	85.3	Confident	84.1	Confident	40 Å²	40	40.6 Å²	40.6	19%	0.187	24%	0.242	C	C	.	.	H	α-helix	trans	-67.5	-37.1	177.4	-68.4	-54.4	129.4	0	0	112.1	T850 L852 K857 M858	T850-E854 WeakPolarHBondContact O-CG 3.35Å; T850-E854 PolarHBondContact O-N 3.32Å; L852-E854 PolarHBondContact O-N 3.39Å; E854-K857 IonicContact OE1-NZ 3.99Å; E854-K857 PolarHBondContact OE1-NZ 3.25Å; E854-M858 WeakPolarHBondContact O-CB 3.45Å; E854-M858 PolarHBondContact O-N 3.49Å
855	T	89.3	Confident	85.7	Confident	1 Å²	1	36 Å²	36	1%	0.006	21%	0.212	C	C	.	.	H	α-helix	trans	-66.5	-43	174.7	-53.4	0	0	0	0	111.2	V851 L852 M858 I859 L876 L882 A885	V851-T855 WeakPolarHBondContact O-CB 3.1Å; V851-T855 PolarHBondContact O-N 2.84Å; V851-T855 PolarHBondContact O-OG1 2.92Å; L852-T855 PolarHBondContact O-N 3.5Å; T855-M858 PolarHBondContact O-N 2.93Å; T855-I859 HydrophobicContact CG2-CD1 4.16Å; T855-I859 WeakPolarHBondContact O-CG1 3.32Å; T855-I859 PolarHBondContact O-N 2.81Å; T855-I859 VanDerWaalsContact O-N 3.09Å; T855-L876 HydrophobicContact CG2-CD1 4.22Å; T855-L882 HydrophobicContact CG2-CD2 4.33Å; T855-A885 HydrophobicContact CG2-CB 4.05Å
856	E	89.9	Confident	86.9	Confident	50 Å²	50	36.6 Å²	36.6	23%	0.234	21%	0.208	C	C	.	.	H	α-helix	trans	-60.7	-48.5	175.3	-174.3	176.7	159	0	0	111.3	L852 N853 M858 I859 S860 L876	L852-E856 WeakPolarHBondContact O-CB 3.28Å; L852-E856 PolarHBondContact O-N 2.78Å; N853-E856 PolarHBondContact O-N 2.81Å; E856-M858 PolarHBondContact O-N 2.91Å; E856-I859 PolarHBondContact O-N 3.03Å; E856-S860 WeakPolarHBondContact O-CB 3.4Å; E856-S860 PolarHBondContact O-N 3.37Å; E856-S860 PolarHBondContact O-OG 3.01Å; E856-L876 HydrophobicContact CB-CD1 4.04Å; E856-L876 HydrophobicContact CB-CG 4.31Å; E856-L876 PolarHBondContact OE2-N 3.37Å; E856-L876 VanDerWaalsContact OE2-N 3.15Å
857	K	87.8	Confident	87.5	Confident	80 Å²	80	38.5 Å²	38.5	35%	0.348	21%	0.211	S	C	.	.	H	α-helix	trans	-58.2	-47.6	176.5	-75.7	173.8	-170.7	169.2	0	112.1	N853 E854 I859 S860 L861	N853-K857 WeakPolarHBondContact ND2-CE 3.47Å; N853-K857 PolarHBondContact ND2-NZ 3.3Å; N853-K857 WeakPolarHBondContact O-CB 3.22Å; N853-K857 VanDerWaalsContact O-CG 3.26Å; N853-K857 WeakPolarHBondContact O-CG 3.45Å; N853-K857 PolarHBondContact O-N 3.07Å; N853-K857 WeakPolarHBondContact OD1-CE 3.41Å; E854-K857 IonicContact OE1-NZ 3.99Å; E854-K857 PolarHBondContact OE1-NZ 3.25Å; K857-I859 VanDerWaalsContact C-N 3.31Å; K857-I859 PolarHBondContact O-N 3.19Å; K857-S860 WeakPolarHBondContact CA-OG 2.91Å; K857-S860 PolarHBondContact O-N 3.33Å; K857-S860 PolarHBondContact O-OG 2.76Å; K857-L861 WeakPolarHBondContact O-CB 3.18Å; K857-L861 WeakPolarHBondContact O-CG 3.49Å; K857-L861 PolarHBondContact O-N 2.79Å
858	M	88.9	Confident	87.7	Confident	4 Å²	4	36.6 Å²	36.6	2%	0.02	20%	0.197	C	C	.	.	H	α-helix	trans	-57.7	-45.6	179	-178.5	177.3	58.3	0	0	111.2	E854 T855 E856 V862 L889 F912 L913 G916 L917	E854-M858 WeakPolarHBondContact O-CB 3.45Å; E854-M858 PolarHBondContact O-N 3.49Å; T855-M858 PolarHBondContact O-N 2.93Å; E856-M858 PolarHBondContact O-N 2.91Å; M858-V862 WeakPolarHBondContact O-CG2 3.44Å; M858-V862 PolarHBondContact O-N 3.39Å; M858-L889 HydrophobicContact CE-CD1 3.34Å; M858-L889 HydrophobicContact CE-CD2 4.13Å; M858-L889 HydrophobicContact CE-CG 4.38Å; M858-F912 HydrophobicContact CG-CE1 3.86Å; M858-F912 HydrophobicContact CG-CZ 4.27Å; M858-L913 HydrophobicContact CE-CD1 4.34Å; M858-L913 HydrophobicContact SD-CD1 3.87Å; M858-G916 VanDerWaalsContact SD-CA 3.59Å; M858-L917 HydrophobicContact CE-CD2 4.39Å
859	I	90.3	Very high	87.8	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-67.5	-44.9	178.2	-63	168.4	0	0	0	111.1	T855 E856 K857 L861 V862 S863 M870 V873 A885 L889	T855-I859 HydrophobicContact CG2-CD1 4.16Å; T855-I859 WeakPolarHBondContact O-CG1 3.32Å; T855-I859 PolarHBondContact O-N 2.81Å; T855-I859 VanDerWaalsContact O-N 3.09Å; E856-I859 PolarHBondContact O-N 3.03Å; K857-I859 VanDerWaalsContact C-N 3.31Å; K857-I859 PolarHBondContact O-N 3.19Å; I859-L861 VanDerWaalsContact C-N 3.29Å; I859-L861 PolarHBondContact O-N 2.81Å; I859-V862 PolarHBondContact O-N 2.79Å; I859-S863 PolarHBondContact O-N 2.83Å; I859-S863 PolarHBondContact O-OG 3.16Å; I859-M870 HydrophobicContact CB-CE 4.24Å; I859-M870 HydrophobicContact CG1-CE 4.06Å; I859-M870 HydrophobicContact CG2-CE 3.37Å; I859-M870 HydrophobicContact CG2-SD 3.94Å; I859-V873 HydrophobicContact CB-CG2 4.02Å; I859-V873 HydrophobicContact CD1-CG2 3.92Å; I859-V873 HydrophobicContact CG2-CB 4.16Å; I859-V873 HydrophobicContact CG2-CG2 3.24Å; I859-A885 HydrophobicContact CD1-CB 3.86Å; I859-L889 HydrophobicContact CD1-CD2 4.4Å; I859-L889 HydrophobicContact CD1-CG 4.26Å; I859-L889 HydrophobicContact CG1-CD1 4.47Å; I859-L889 HydrophobicContact CG1-CD2 3.69Å; I859-L889 HydrophobicContact CG1-CG 4.08Å
860	S	88.9	Confident	87.7	Confident	37 Å²	37	39.6 Å²	39.6	26%	0.259	20%	0.2	S	C	.	.	H	α-helix	trans	-58.4	-40	179.9	75.3	0	0	0	0	112.4	E856 K857 S863 M864	E856-S860 WeakPolarHBondContact O-CB 3.4Å; E856-S860 PolarHBondContact O-N 3.37Å; E856-S860 PolarHBondContact O-OG 3.01Å; K857-S860 WeakPolarHBondContact CA-OG 2.91Å; K857-S860 PolarHBondContact O-N 3.33Å; K857-S860 PolarHBondContact O-OG 2.76Å; S860-S863 WeakPolarHBondContact CA-OG 3.43Å; S860-S863 PolarHBondContact O-N 2.82Å; S860-S863 PolarHBondContact O-OG 2.73Å; S860-M864 WeakPolarHBondContact O-CG 3.37Å; S860-M864 PolarHBondContact O-N 3.17Å
861	L	89.3	Confident	87.3	Confident	22 Å²	22	41.8 Å²	41.8	12%	0.115	22%	0.215	C	C	.	.	H	α-helix	trans	-68.8	-36.2	-179.3	-77.8	172.5	0	0	0	111.6	H590 T627 P652 Y653 K857 I859 F912	H590-L861 HydrophobicContact CB-CD1 4.27Å; T627-L861 HydrophobicContact CG2-CD2 3.61Å; P652-L861 HydrophobicContact CG-CB 4.45Å; Y653-L861 WeakPolarHBondContact CE1-O 3.21Å; Y653-L861 PolarHBondContact OH-O 2.84Å; K857-L861 WeakPolarHBondContact O-CB 3.18Å; K857-L861 WeakPolarHBondContact O-CG 3.49Å; K857-L861 PolarHBondContact O-N 2.79Å; I859-L861 VanDerWaalsContact C-N 3.29Å; I859-L861 PolarHBondContact O-N 2.81Å; L861-F912 HydrophobicContact CB-CE1 4.32Å; L861-F912 HydrophobicContact CB-CZ 4.13Å; L861-F912 HydrophobicContact CD1-CE2 4.27Å; L861-F912 HydrophobicContact CD1-CZ 3.77Å
862	V	89.4	Confident	86.5	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-76.2	-37.2	176.4	175.5	0	0	0	0	111.1	M858 I859 M864 N865 N868 M870 F892 F912	M858-V862 WeakPolarHBondContact O-CG2 3.44Å; M858-V862 PolarHBondContact O-N 3.39Å; I859-V862 PolarHBondContact O-N 2.79Å; V862-M864 PolarHBondContact O-N 2.89Å; V862-N865 PolarHBondContact O-N 3.43Å; V862-N868 HydrophobicContact CG1-CB 4.17Å; V862-N868 WeakPolarHBondContact CG1-ND2 3.48Å; V862-N868 PolarHBondContact O-ND2 3.39Å; V862-M870 HydrophobicContact CB-SD 4.31Å; V862-M870 HydrophobicContact CG1-SD 3.94Å; V862-F892 HydrophobicContact CG1-CD1 3.88Å; V862-F892 HydrophobicContact CG1-CD2 4.42Å; V862-F892 HydrophobicContact CG1-CE1 3.32Å; V862-F892 HydrophobicContact CG1-CE2 3.93Å; V862-F892 HydrophobicContact CG1-CG 4.41Å; V862-F892 HydrophobicContact CG1-CZ 3.35Å; V862-F912 HydrophobicContact CG2-CD1 3.8Å; V862-F912 HydrophobicContact CG2-CE1 3.71Å
863	S	89.6	Confident	85.6	Confident	20 Å²	20	49.8 Å²	49.8	14%	0.14	25%	0.254	C	S	.	.	H	α-helix	trans	-69	-18.4	179.5	60.3	0	0	0	0	113.8	I859 S860 N865 M870	I859-S863 PolarHBondContact O-N 2.83Å; I859-S863 PolarHBondContact O-OG 3.16Å; S860-S863 WeakPolarHBondContact CA-OG 3.43Å; S860-S863 PolarHBondContact O-N 2.82Å; S860-S863 PolarHBondContact O-OG 2.73Å; S863-N865 PolarHBondContact O-N 3.33Å; S863-M870 VanDerWaalsContact CB-O 3.24Å; S863-M870 WeakPolarHBondContact CB-O 3.37Å
864	M	86.4	Confident	84.6	Confident	89 Å²	89	53.3 Å²	53.3	44%	0.438	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-19.9	177.9	-84	-166.4	170.9	0	0	114.1	T627 Y653 S860 V862	T627-M864 HydrophobicContact CG2-CE 4.1Å; T627-M864 HydrophobicContact CG2-SD 3.84Å; Y653-M864 VanDerWaalsContact OH-CB 3.28Å; Y653-M864 WeakPolarHBondContact OH-CB 3.34Å; S860-M864 WeakPolarHBondContact O-CG 3.37Å; S860-M864 PolarHBondContact O-N 3.17Å; V862-M864 PolarHBondContact O-N 2.89Å
865	N	88.2	Confident	84.4	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.011	29%	0.294	C	S	.	.	S	Bend	trans	-94	120.1	173.7	-165.4	-43.7	0	0	0	110.4	A624 Y653 V862 S863 R867 N868 H905	A624-N865 HydrophobicContact CB-CB 4.18Å; Y653-N865 HydrophobicContact CD1-CB 4.38Å; Y653-N865 HydrophobicContact CD2-CB 4.31Å; Y653-N865 WeakPolarHBondContact CD2-ND2 3.27Å; Y653-N865 HydrophobicContact CE1-CB 3.8Å; Y653-N865 HydrophobicContact CE2-CB 3.78Å; Y653-N865 VanDerWaalsContact CZ-CB 3.5Å; Y653-N865 PolarHBondContact OH-N 2.75Å; V862-N865 PolarHBondContact O-N 3.43Å; S863-N865 PolarHBondContact O-N 3.33Å; N865-R867 PolarHBondContact O-N 2.97Å; N865-R867 VanDerWaalsContact O-N 3.11Å; N865-R867 WeakPolarHBondContact OD1-CB 3.12Å; N865-R867 PolarHBondContact OD1-N 2.97Å; N865-N868 WeakPolarHBondContact O-CB 3.37Å; N865-N868 PolarHBondContact O-N 3.17Å; N865-H905 PolarHBondContact ND2-CE1 2.93Å
866	P	85.5	Confident	84.3	Confident	101 Å²	101	59.5 Å²	59.5	66%	0.656	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-60.2	-25.9	179.6	25.1	-34.5	0	0	0	113	N868 K869	P866-N868 PolarHBondContact O-N 2.99Å; P866-K869 PolarHBondContact O-N 3.08Å
867	R	87.6	Confident	84	Confident	86 Å²	86	64.3 Å²	64.3	33%	0.325	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-66.3	-24.2	178	-160.5	176.6	173.6	-169.7	-6.4	113	N865 K869 D903 W906	N865-R867 PolarHBondContact O-N 2.97Å; N865-R867 VanDerWaalsContact O-N 3.11Å; N865-R867 WeakPolarHBondContact OD1-CB 3.12Å; N865-R867 PolarHBondContact OD1-N 2.97Å; R867-K869 PolarHBondContact O-N 3.03Å; R867-D903 IonicContact CZ-OD2 3.21Å; R867-D903 IonicContact NH1-OD1 3.13Å; R867-D903 IonicContact NH1-OD2 2.64Å; R867-D903 PolarHBondContact NH1-OD2 2.83Å; R867-D903 IonicContact NH2-OD2 3.92Å; R867-D903 PolarHBondContact NH2-OD2 2.78Å; R867-W906 HydrophobicContact CG-CZ2 4.42Å
868	N	88.1	Confident	83.9	Confident	2 Å²	2	61.7 Å²	61.7	1%	0.011	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-76.6	-11.6	179.3	-69.1	-14.1	0	0	0	113.1	V862 N865 P866 M870 F892 H905 W906	V862-N868 HydrophobicContact CG1-CB 4.17Å; V862-N868 WeakPolarHBondContact CG1-ND2 3.48Å; V862-N868 PolarHBondContact O-ND2 3.39Å; N865-N868 WeakPolarHBondContact O-CB 3.37Å; N865-N868 PolarHBondContact O-N 3.17Å; P866-N868 PolarHBondContact O-N 2.99Å; N868-M870 PolarHBondContact O-N 3.35Å; N868-F892 HydrophobicContact CB-CD2 4.48Å; N868-F892 HydrophobicContact CB-CE2 3.62Å; N868-F892 HydrophobicContact CB-CZ 4.13Å; N868-H905 PolarHBondContact OD1-CE1 2.99Å; N868-H905 PolarHBondContact OD1-NE2 3.48Å; N868-W906 WeakPolarHBondContact OD1-CZ3 3.25Å
869	K	85.9	Confident	83.6	Confident	156 Å²	156	62 Å²	62	68%	0.678	32%	0.318	S	S	*	.			trans	47.8	30.8	179.6	-61.3	178	-175	163.8	0	113.5	P866 R867	P866-K869 PolarHBondContact O-N 3.08Å; R867-K869 PolarHBondContact O-N 3.03Å
870	M	83.4	Confident	83.2	Confident	19 Å²	19	68.6 Å²	68.6	9%	0.094	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-103.5	116.9	-176.5	-168	174.5	-167.6	0	0	108.9	I859 V862 S863 N868 R888 L889 F892	I859-M870 HydrophobicContact CB-CE 4.24Å; I859-M870 HydrophobicContact CG1-CE 4.06Å; I859-M870 HydrophobicContact CG2-CE 3.37Å; I859-M870 HydrophobicContact CG2-SD 3.94Å; V862-M870 HydrophobicContact CB-SD 4.31Å; V862-M870 HydrophobicContact CG1-SD 3.94Å; S863-M870 VanDerWaalsContact CB-O 3.24Å; S863-M870 WeakPolarHBondContact CB-O 3.37Å; N868-M870 PolarHBondContact O-N 3.35Å; M870-R888 HydrophobicContact CE-CB 3.93Å; M870-L889 HydrophobicContact CE-CD2 4.01Å; M870-F892 HydrophobicContact SD-CB 4.27Å; M870-F892 HydrophobicContact SD-CG 4.23Å
871	P	76.1	Confident	83.1	Confident	89 Å²	89	68.7 Å²	68.7	58%	0.578	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-69	144.8	176.9	26.1	-30.8	0	0	0	110.9
872	E	71	Confident	83	Confident	152 Å²	152	67.7 Å²	67.7	71%	0.71	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-58.4	143.6	176.4	-159.8	168.6	-166.3	0	0	110.6	R888	E872-R888 PolarHBondContact O-NH1 3.17Å
873	V	68.9	Low	82.9	Confident	22 Å²	22	69.9 Å²	69.9	13%	0.133	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-90.2	138.1	-177.9	170.4	0	0	0	0	109.5	I859 L876 R888	I859-V873 HydrophobicContact CB-CG2 4.02Å; I859-V873 HydrophobicContact CD1-CG2 3.92Å; I859-V873 HydrophobicContact CG2-CB 4.16Å; I859-V873 HydrophobicContact CG2-CG2 3.24Å; V873-L876 HydrophobicContact CG1-CD2 3.91Å; V873-L876 HydrophobicContact CG1-CG 4.18Å; V873-R888 VanDerWaalsContact CG2-NH1 3.31Å
874	L	67.4	Low	82.8	Confident	147 Å²	147	72.4 Å²	72.4	77%	0.77	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-67.1	140.4	166.1	-79.6	130.2	0	0	0	108.6	L876	L874-L876 PolarHBondContact O-N 2.99Å
875	K	80.5	Confident	83	Confident	151 Å²	151	68.3 Å²	68.3	66%	0.657	35%	0.345	S	S	*	.			trans	-41.9	125.6	180	-168.5	177.7	-178.5	-175.6	0	111.6
876	L	86.4	Confident	83.1	Confident	20 Å²	20	68.2 Å²	68.2	11%	0.105	35%	0.345	C	S	.	.			trans	-81.3	120.2	-178.2	-61	176	0	0	0	108.9	L852 T855 E856 V873 L874 D881 A885	L852-L876 HydrophobicContact CB-CB 4.04Å; L852-L876 HydrophobicContact CD2-CB 4.01Å; T855-L876 HydrophobicContact CG2-CD1 4.22Å; E856-L876 HydrophobicContact CB-CD1 4.04Å; E856-L876 HydrophobicContact CB-CG 4.31Å; E856-L876 PolarHBondContact OE2-N 3.37Å; E856-L876 VanDerWaalsContact OE2-N 3.15Å; V873-L876 HydrophobicContact CG1-CD2 3.91Å; V873-L876 HydrophobicContact CG1-CG 4.18Å; L874-L876 PolarHBondContact O-N 2.99Å; L876-D881 HydrophobicContact CB-CB 4.4Å; L876-D881 HydrophobicContact CD2-CB 3.63Å; L876-A885 HydrophobicContact CD1-CB 4.25Å; L876-A885 HydrophobicContact CD2-CB 4.24Å
877	E	84.3	Confident	83.3	Confident	151 Å²	151	67.7 Å²	67.7	71%	0.706	34%	0.337	S	S	*	.			trans	-108.2	-29.9	-171.5	-65.3	-171.6	165.7	0	0	112.7	D881	E877-D881 PolarHBondContact N-OD2 2.68Å
878	A	85.8	Confident	83.3	Confident	25 Å²	25	67.7 Å²	67.7	21%	0.207	34%	0.336	C	S	.	.	S	Bend	trans	-139.5	165.6	-175.4	0	0	0	0	0	113.5	L852 Y880 D881	L852-A878 VanDerWaalsContact CD2-O 3.23Å; L852-A878 WeakPolarHBondContact CD2-O 3.15Å; A878-Y880 HydrophobicContact CB-CD1 3.68Å; A878-Y880 HydrophobicContact CB-CE1 3.26Å; A878-Y880 HydrophobicContact CB-CE2 4.29Å; A878-Y880 HydrophobicContact CB-CG 4.36Å; A878-Y880 PolarHBondContact O-N 2.69Å; A878-D881 PolarHBondContact N-OD2 3.21Å; A878-D881 WeakPolarHBondContact O-CB 3.15Å; A878-D881 PolarHBondContact O-N 3.37Å
879	S	82.8	Confident	83.5	Confident	12 Å²	12	67.6 Å²	67.6	8%	0.084	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-58.9	-32.7	-176.8	64.7	0	0	0	0	113.5	D881 L882 E937	S879-D881 PolarHBondContact O-N 3.15Å; S879-L882 VanDerWaalsContact O-CB 3.3Å; S879-L882 WeakPolarHBondContact O-CB 3.43Å; S879-L882 WeakPolarHBondContact O-CG 3.37Å; S879-L882 PolarHBondContact O-N 2.72Å; S879-L882 VanDerWaalsContact O-N 3.14Å; S879-E937 VanDerWaalsContact C-OE1 3.24Å; S879-E937 WeakPolarHBondContact CB-OE1 3.35Å; S879-E937 PolarHBondContact OG-OE1 3.5Å
880	Y	81.9	Confident	83.8	Confident	138 Å²	138	61.8 Å²	61.8	54%	0.541	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-68.4	-18.8	-179.7	60.5	-106	0	0	0	112.8	A878 L882 P884 E937	A878-Y880 HydrophobicContact CB-CD1 3.68Å; A878-Y880 HydrophobicContact CB-CE1 3.26Å; A878-Y880 HydrophobicContact CB-CE2 4.29Å; A878-Y880 HydrophobicContact CB-CG 4.36Å; A878-Y880 PolarHBondContact O-N 2.69Å; Y880-L882 PolarHBondContact O-N 3.33Å; Y880-P884 WeakPolarHBondContact O-CD 3.5Å; Y880-E937 WeakPolarHBondContact CA-OE1 3.44Å; Y880-E937 PolarHBondContact N-OE1 3.25Å; Y880-E937 VanDerWaalsContact N-OE1 3.14Å
881	D	87	Confident	84.1	Confident	38 Å²	38	65.5 Å²	65.5	20%	0.203	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-72.9	-14.9	175.8	-60.1	-43.7	0	0	0	112.4	L876 E877 A878 S879 P884 A885	L876-D881 HydrophobicContact CB-CB 4.4Å; L876-D881 HydrophobicContact CD2-CB 3.63Å; E877-D881 PolarHBondContact N-OD2 2.68Å; A878-D881 PolarHBondContact N-OD2 3.21Å; A878-D881 WeakPolarHBondContact O-CB 3.15Å; A878-D881 PolarHBondContact O-N 3.37Å; S879-D881 PolarHBondContact O-N 3.15Å; D881-P884 WeakPolarHBondContact O-CD 3.37Å; D881-A885 WeakPolarHBondContact O-CB 3.45Å; D881-A885 PolarHBondContact O-N 3.11Å; D881-A885 VanDerWaalsContact O-N 3.15Å
882	L	87.4	Confident	84.8	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-65.5	-40	177.8	-72.8	168.4	0	0	0	112.4	V851 L852 T855 S879 Y880 A885 L886 F932 V941	V851-L882 HydrophobicContact CG1-CD1 4.17Å; V851-L882 HydrophobicContact CG1-CD2 4.09Å; L852-L882 HydrophobicContact CD2-CD1 4.21Å; L852-L882 HydrophobicContact CD2-CD2 3.76Å; L852-L882 HydrophobicContact CD2-CG 3.61Å; T855-L882 HydrophobicContact CG2-CD2 4.33Å; S879-L882 VanDerWaalsContact O-CB 3.3Å; S879-L882 WeakPolarHBondContact O-CB 3.43Å; S879-L882 WeakPolarHBondContact O-CG 3.37Å; S879-L882 PolarHBondContact O-N 2.72Å; S879-L882 VanDerWaalsContact O-N 3.14Å; Y880-L882 PolarHBondContact O-N 3.33Å; L882-A885 PolarHBondContact O-N 3.07Å; L882-L886 WeakPolarHBondContact O-CB 3.46Å; L882-L886 VanDerWaalsContact O-CG 3.26Å; L882-L886 WeakPolarHBondContact O-CG 3.43Å; L882-L886 PolarHBondContact O-N 3.25Å; L882-F932 HydrophobicContact CD1-CE1 4.14Å; L882-V941 HydrophobicContact CB-CG1 4.44Å; L882-V941 HydrophobicContact CB-CG2 4.34Å; L882-V941 HydrophobicContact CD1-CG1 4.34Å
883	V	87.1	Confident	85.8	Confident	46 Å²	46	54.3 Å²	54.3	28%	0.279	27%	0.271	S	S	.	.	H	α-helix	trans	-64	-48.9	-177.9	176.9	0	0	0	0	111.3	A885 L886 D887 V941	V883-A885 VanDerWaalsContact C-N 3.31Å; V883-A885 PolarHBondContact O-N 2.96Å; V883-L886 PolarHBondContact O-N 3.46Å; V883-D887 PolarHBondContact O-N 3.45Å; V883-V941 HydrophobicContact CG2-CG2 3.53Å
884	P	87.9	Confident	86.8	Confident	72 Å²	72	58.1 Å²	58.1	47%	0.468	29%	0.287	S	S	.	.	H	α-helix	trans	-58.4	-37.7	170.8	-25.1	33.5	0	0	0	114	Y880 D881 D887 R888	Y880-P884 WeakPolarHBondContact O-CD 3.5Å; D881-P884 WeakPolarHBondContact O-CD 3.37Å; P884-D887 PolarHBondContact O-N 3.39Å; P884-R888 WeakPolarHBondContact O-CG 3.49Å; P884-R888 PolarHBondContact O-N 3.13Å; P884-R888 VanDerWaalsContact O-N 3.14Å
885	A	89.1	Confident	87.9	Confident	3 Å²	3	53.3 Å²	53.3	3%	0.025	26%	0.26	C	S	.	.	H	α-helix	trans	-66	-43.1	177.4	0	0	0	0	0	112.1	T855 I859 L876 D881 L882 V883 D887 R888 L889	T855-A885 HydrophobicContact CG2-CB 4.05Å; I859-A885 HydrophobicContact CD1-CB 3.86Å; L876-A885 HydrophobicContact CD1-CB 4.25Å; L876-A885 HydrophobicContact CD2-CB 4.24Å; D881-A885 WeakPolarHBondContact O-CB 3.45Å; D881-A885 PolarHBondContact O-N 3.11Å; D881-A885 VanDerWaalsContact O-N 3.15Å; L882-A885 PolarHBondContact O-N 3.07Å; V883-A885 VanDerWaalsContact C-N 3.31Å; V883-A885 PolarHBondContact O-N 2.96Å; A885-D887 VanDerWaalsContact C-N 3.33Å; A885-D887 PolarHBondContact O-N 3.34Å; A885-R888 WeakPolarHBondContact O-CB 3.39Å; A885-R888 PolarHBondContact O-N 3.18Å; A885-L889 WeakPolarHBondContact O-CG 3.49Å; A885-L889 PolarHBondContact O-N 3.2Å; A885-L889 VanDerWaalsContact O-N 3.1Å
886	L	91	Very high	88.3	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-64.3	-36.3	174.9	-70.1	178.8	0	0	0	112	L882 V883 L889 H890 L920 V941 T944 T945 L948	L882-L886 WeakPolarHBondContact O-CB 3.46Å; L882-L886 VanDerWaalsContact O-CG 3.26Å; L882-L886 WeakPolarHBondContact O-CG 3.43Å; L882-L886 PolarHBondContact O-N 3.25Å; V883-L886 PolarHBondContact O-N 3.46Å; L886-L889 HydrophobicContact CD2-CD1 4.22Å; L886-L889 WeakPolarHBondContact O-CB 3.33Å; L886-L889 PolarHBondContact O-N 3.38Å; L886-H890 PolarHBondContact O-N 3.01Å; L886-L920 HydrophobicContact CD2-CD2 3.79Å; L886-V941 HydrophobicContact CD1-CG1 4.11Å; L886-T944 HydrophobicContact CB-CG2 4.19Å; L886-T944 HydrophobicContact CD1-CG2 4.16Å; L886-T945 WeakPolarHBondContact CD1-OG1 3.15Å; L886-L948 HydrophobicContact CB-CD1 3.94Å; L886-L948 HydrophobicContact CD2-CD1 3.99Å; L886-L948 HydrophobicContact CG-CD1 4.48Å; L886-L948 WeakPolarHBondContact O-CD1 3.37Å
887	D	89.4	Confident	88.3	Confident	90 Å²	90	51.8 Å²	51.8	48%	0.481	26%	0.255	S	S	.	.	H	α-helix	trans	-64.8	-39.8	175.3	-168.8	55.2	0	0	0	111.8	V883 P884 A885 L889 H890 I891	V883-D887 PolarHBondContact O-N 3.45Å; P884-D887 PolarHBondContact O-N 3.39Å; A885-D887 VanDerWaalsContact C-N 3.33Å; A885-D887 PolarHBondContact O-N 3.34Å; D887-L889 PolarHBondContact O-N 3.35Å; D887-H890 WeakPolarHBondContact O-CA 3.49Å; D887-H890 VanDerWaalsContact O-CB 3.26Å; D887-H890 WeakPolarHBondContact O-CB 3.43Å; D887-H890 PolarHBondContact O-N 2.86Å; D887-I891 WeakPolarHBondContact O-CG1 3.43Å; D887-I891 PolarHBondContact O-N 2.99Å
888	R	88.8	Confident	88	Confident	85 Å²	85	48 Å²	48	32%	0.321	26%	0.256	S	S	.	.	H	α-helix	trans	-61.1	-43.4	172.1	-68.4	-179.5	-175.2	-153.4	4.9	112.3	M870 E872 V873 P884 A885 H890 I891 F892	M870-R888 HydrophobicContact CE-CB 3.93Å; E872-R888 PolarHBondContact O-NH1 3.17Å; V873-R888 VanDerWaalsContact CG2-NH1 3.31Å; P884-R888 WeakPolarHBondContact O-CG 3.49Å; P884-R888 PolarHBondContact O-N 3.13Å; P884-R888 VanDerWaalsContact O-N 3.14Å; A885-R888 WeakPolarHBondContact O-CB 3.39Å; A885-R888 PolarHBondContact O-N 3.18Å; R888-H890 PolarHBondContact O-N 3.22Å; R888-I891 PolarHBondContact O-N 2.98Å; R888-F892 PolarHBondContact O-N 3.37Å
889	L	91.1	Very high	87.9	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.7	-35.3	173.7	-66.8	173.5	0	0	0	111.2	M858 I859 M870 A885 L886 D887 F892 I893 L913 L917	M858-L889 HydrophobicContact CE-CD1 3.34Å; M858-L889 HydrophobicContact CE-CD2 4.13Å; M858-L889 HydrophobicContact CE-CG 4.38Å; I859-L889 HydrophobicContact CD1-CD2 4.4Å; I859-L889 HydrophobicContact CD1-CG 4.26Å; I859-L889 HydrophobicContact CG1-CD1 4.47Å; I859-L889 HydrophobicContact CG1-CD2 3.69Å; I859-L889 HydrophobicContact CG1-CG 4.08Å; M870-L889 HydrophobicContact CE-CD2 4.01Å; A885-L889 WeakPolarHBondContact O-CG 3.49Å; A885-L889 PolarHBondContact O-N 3.2Å; A885-L889 VanDerWaalsContact O-N 3.1Å; L886-L889 HydrophobicContact CD2-CD1 4.22Å; L886-L889 WeakPolarHBondContact O-CB 3.33Å; L886-L889 PolarHBondContact O-N 3.38Å; D887-L889 PolarHBondContact O-N 3.35Å; L889-F892 PolarHBondContact O-N 3.38Å; L889-I893 VanDerWaalsContact O-CG1 3.31Å; L889-I893 WeakPolarHBondContact O-CG1 3.31Å; L889-I893 PolarHBondContact O-N 3.47Å; L889-L913 HydrophobicContact CD2-CD1 3.72Å; L889-L917 HydrophobicContact CD1-CD2 4.07Å
890	H	91.8	Very high	87.3	Confident	34 Å²	34	51.8 Å²	51.8	16%	0.157	28%	0.275	C	S	.	.	H	α-helix	trans	-62.7	-48	175.4	-168.3	25.2	0	0	0	112.2	L886 D887 R888 F892 I893 Q894 L948 K951	L886-H890 PolarHBondContact O-N 3.01Å; D887-H890 WeakPolarHBondContact O-CA 3.49Å; D887-H890 VanDerWaalsContact O-CB 3.26Å; D887-H890 WeakPolarHBondContact O-CB 3.43Å; D887-H890 PolarHBondContact O-N 2.86Å; R888-H890 PolarHBondContact O-N 3.22Å; H890-F892 VanDerWaalsContact C-N 3.26Å; H890-F892 PolarHBondContact O-N 3.45Å; H890-I893 PolarHBondContact O-N 3.25Å; H890-Q894 PolarHBondContact CE1-NE2 2.81Å; H890-Q894 PolarHBondContact NE2-NE2 2.83Å; H890-Q894 WeakPolarHBondContact O-CG 3.15Å; H890-Q894 PolarHBondContact O-N 3.35Å; H890-L948 HydrophobicContact CB-CD2 3.51Å; H890-L948 WeakPolarHBondContact ND1-CD2 3.26Å; H890-K951 PolarHBondContact CE1-NZ 3.15Å; H890-K951 PolarHBondContact NE2-NZ 2.9Å; H890-K951 VanDerWaalsContact NE2-NZ 3.14Å
891	I	90.4	Very high	86.5	Confident	98 Å²	98	48.9 Å²	48.9	50%	0.503	27%	0.266	S	S	.	.	H	α-helix	trans	-58.7	-42.2	175.5	-65.5	165.8	0	0	0	110.1	D887 R888 Q894 H895	D887-I891 WeakPolarHBondContact O-CG1 3.43Å; D887-I891 PolarHBondContact O-N 2.99Å; R888-I891 PolarHBondContact O-N 2.98Å; I891-Q894 PolarHBondContact O-N 2.75Å; I891-H895 PolarHBondContact O-N 3.43Å
892	F	91.3	Very high	85.4	Confident	5 Å²	5	50.5 Å²	50.5	2%	0.022	28%	0.28	C	S	.	.	H	α-helix	trans	-64.4	-40.7	177.2	-177.7	-118.8	0	0	0	112.6	V862 N868 M870 R888 L889 H890 Q894 H895 M896 W906 L913	V862-F892 HydrophobicContact CG1-CD1 3.88Å; V862-F892 HydrophobicContact CG1-CD2 4.42Å; V862-F892 HydrophobicContact CG1-CE1 3.32Å; V862-F892 HydrophobicContact CG1-CE2 3.93Å; V862-F892 HydrophobicContact CG1-CG 4.41Å; V862-F892 HydrophobicContact CG1-CZ 3.35Å; N868-F892 HydrophobicContact CB-CD2 4.48Å; N868-F892 HydrophobicContact CB-CE2 3.62Å; N868-F892 HydrophobicContact CB-CZ 4.13Å; M870-F892 HydrophobicContact SD-CB 4.27Å; M870-F892 HydrophobicContact SD-CG 4.23Å; R888-F892 PolarHBondContact O-N 3.37Å; L889-F892 PolarHBondContact O-N 3.38Å; H890-F892 VanDerWaalsContact C-N 3.26Å; H890-F892 PolarHBondContact O-N 3.45Å; F892-Q894 VanDerWaalsContact C-N 3.33Å; F892-Q894 PolarHBondContact O-N 2.94Å; F892-H895 WeakPolarHBondContact O-CB 3.38Å; F892-H895 PolarHBondContact O-N 2.82Å; F892-M896 HydrophobicContact CD1-CE 3.92Å; F892-M896 HydrophobicContact CD1-SD 4.32Å; F892-M896 HydrophobicContact CE1-CE 3.7Å; F892-M896 HydrophobicContact CE1-CG 4.09Å; F892-M896 HydrophobicContact CE1-SD 3.57Å; F892-M896 VanDerWaalsContact CE1-SD 3.57Å; F892-M896 HydrophobicContact CE2-CG 4.07Å; F892-M896 HydrophobicContact CZ-CE 4.38Å; F892-M896 HydrophobicContact CZ-CG 3.83Å; F892-M896 HydrophobicContact CZ-SD 3.69Å; F892-M896 WeakPolarHBondContact O-CG 3.48Å; F892-M896 PolarHBondContact O-N 2.9Å; F892-W906 AromaticContact CE2-CZ3 3.9Å; F892-W906 HydrophobicContact CE2-CZ3 3.9Å; F892-W906 HydrophobicContact CZ-CZ3 4.02Å; F892-L913 HydrophobicContact CD1-CD2 3.94Å; F892-L913 HydrophobicContact CE1-CD2 4.28Å
893	I	91.7	Very high	85.1	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-61	-42.2	173.8	-69.4	164.7	0	0	0	111.3	L889 H890 H895 M896 Q897 L913 L917 L948 K951 A952 V955	L889-I893 VanDerWaalsContact O-CG1 3.31Å; L889-I893 WeakPolarHBondContact O-CG1 3.31Å; L889-I893 PolarHBondContact O-N 3.47Å; H890-I893 PolarHBondContact O-N 3.25Å; I893-H895 VanDerWaalsContact C-N 3.31Å; I893-H895 PolarHBondContact O-N 3.46Å; I893-M896 HydrophobicContact CG1-CE 4.12Å; I893-M896 PolarHBondContact O-N 2.83Å; I893-Q897 PolarHBondContact O-N 2.92Å; I893-L913 HydrophobicContact CD1-CD2 3.93Å; I893-L913 HydrophobicContact CG1-CD2 3.38Å; I893-L917 HydrophobicContact CD1-CD1 3.99Å; I893-L948 HydrophobicContact CD1-CB 4.15Å; I893-L948 HydrophobicContact CD1-CD2 3.93Å; I893-K951 HydrophobicContact CG2-CB 3.94Å; I893-A952 HydrophobicContact CD1-CB 4.13Å; I893-V955 HydrophobicContact CG2-CG2 4.01Å
894	Q	90.1	Very high	84.9	Confident	102 Å²	102	53 Å²	53	48%	0.477	29%	0.292	S	S	.	.	H	α-helix	trans	-63.7	-38.9	175.7	-67.9	-179.8	2.3	0	0	111.6	H890 I891 F892 Q897 G898	H890-Q894 PolarHBondContact CE1-NE2 2.81Å; H890-Q894 PolarHBondContact NE2-NE2 2.83Å; H890-Q894 WeakPolarHBondContact O-CG 3.15Å; H890-Q894 PolarHBondContact O-N 3.35Å; I891-Q894 PolarHBondContact O-N 2.75Å; F892-Q894 VanDerWaalsContact C-N 3.33Å; F892-Q894 PolarHBondContact O-N 2.94Å; Q894-Q897 PolarHBondContact O-N 2.99Å; Q894-G898 PolarHBondContact O-N 3.34Å
895	H	89.5	Confident	85	Confident	45 Å²	45	49.5 Å²	49.5	21%	0.208	27%	0.27	C	S	.	.	H	α-helix	trans	-61.7	-47.9	175.1	-175.9	28.7	0	0	0	111.3	I891 F892 I893 Q897 G898 E899	I891-H895 PolarHBondContact O-N 3.43Å; F892-H895 WeakPolarHBondContact O-CB 3.38Å; F892-H895 PolarHBondContact O-N 2.82Å; I893-H895 VanDerWaalsContact C-N 3.31Å; I893-H895 PolarHBondContact O-N 3.46Å; H895-Q897 VanDerWaalsContact C-N 3.29Å; H895-Q897 PolarHBondContact O-N 2.9Å; H895-G898 PolarHBondContact O-N 2.82Å; H895-G898 VanDerWaalsContact O-N 3.14Å; H895-E899 IonicContact CE1-OE1 3.25Å; H895-E899 PolarHBondContact CE1-OE1 3.26Å; H895-E899 IonicContact ND1-OE1 3.98Å; H895-E899 WeakPolarHBondContact O-CG 3.26Å
896	M	89.1	Confident	85	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.2	-38.5	177.1	-70.8	-164.7	-68.7	0	0	112.6	F892 I893 G898 E899 W906 C909 L913 V955 H959	F892-M896 HydrophobicContact CD1-CE 3.92Å; F892-M896 HydrophobicContact CD1-SD 4.32Å; F892-M896 HydrophobicContact CE1-CE 3.7Å; F892-M896 HydrophobicContact CE1-CG 4.09Å; F892-M896 HydrophobicContact CE1-SD 3.57Å; F892-M896 VanDerWaalsContact CE1-SD 3.57Å; F892-M896 HydrophobicContact CE2-CG 4.07Å; F892-M896 HydrophobicContact CZ-CE 4.38Å; F892-M896 HydrophobicContact CZ-CG 3.83Å; F892-M896 HydrophobicContact CZ-SD 3.69Å; F892-M896 WeakPolarHBondContact O-CG 3.48Å; F892-M896 PolarHBondContact O-N 2.9Å; I893-M896 HydrophobicContact CG1-CE 4.12Å; I893-M896 PolarHBondContact O-N 2.83Å; M896-G898 PolarHBondContact O-N 3.27Å; M896-E899 PolarHBondContact O-N 3.14Å; M896-W906 HydrophobicContact CB-CE3 4.39Å; M896-W906 HydrophobicContact CG-CE3 3.6Å; M896-W906 HydrophobicContact CG-CZ3 3.63Å; M896-W906 HydrophobicContact SD-CE3 4.13Å; M896-W906 HydrophobicContact SD-CZ3 4.43Å; M896-C909 HydrophobicContact SD-CB 4.03Å; M896-L913 HydrophobicContact CE-CD2 3.41Å; M896-L913 VanDerWaalsContact CE-CD2 3.41Å; M896-V955 HydrophobicContact CB-CG1 3.98Å; M896-H959 PolarHBondContact O-CE1 3.39Å; M896-H959 PolarHBondContact O-NE2 3.28Å
897	Q	86.6	Confident	84.9	Confident	140 Å²	140	50 Å²	50	65%	0.654	27%	0.272	S	S	*	.	H	α-helix	trans	-62.5	-27	178.7	-172.2	178.8	0.6	0	0	113.2	I893 Q894 H895 V955	I893-Q897 PolarHBondContact O-N 2.92Å; Q894-Q897 PolarHBondContact O-N 2.99Å; H895-Q897 VanDerWaalsContact C-N 3.29Å; H895-Q897 PolarHBondContact O-N 2.9Å; Q897-V955 HydrophobicContact CB-CG2 4.03Å; Q897-V955 HydrophobicContact CG-CG2 4.38Å
898	G	78.8	Confident	84.9	Confident	71 Å²	71	48 Å²	48	73%	0.732	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-2.2	179.9	0	0	0	0	0	114.9	Q894 H895 M896	Q894-G898 PolarHBondContact O-N 3.34Å; H895-G898 PolarHBondContact O-N 2.82Å; H895-G898 VanDerWaalsContact O-N 3.14Å; M896-G898 PolarHBondContact O-N 3.27Å
899	E	82.9	Confident	85	Confident	59 Å²	59	43.9 Å²	43.9	28%	0.276	24%	0.243	S	C	.	.	S	Bend	trans	-100.7	166.8	-174.3	-68.4	-78.4	152.6	0	0	112.1	H895 M896 E901 W906	H895-E899 IonicContact CE1-OE1 3.25Å; H895-E899 PolarHBondContact CE1-OE1 3.26Å; H895-E899 IonicContact ND1-OE1 3.98Å; H895-E899 WeakPolarHBondContact O-CG 3.26Å; M896-E899 PolarHBondContact O-N 3.14Å; E899-E901 PolarHBondContact O-N 3.48Å; E899-W906 HydrophobicContact CB-CD2 4.23Å; E899-W906 HydrophobicContact CB-CG 4.25Å; E899-W906 HydrophobicContact CB-CZ2 4.19Å; E899-W906 VanDerWaalsContact CB-NE1 3.33Å; E899-W906 HydrophobicContact CG-CD2 4.47Å; E899-W906 HydrophobicContact CG-CH2 4.36Å; E899-W906 HydrophobicContact CG-CZ2 3.59Å; E899-W906 PolarHBondContact OE2-NE1 3.39Å
900	S	69.6	Low	85	Confident	58 Å²	58	43.9 Å²	43.9	41%	0.406	24%	0.243	S	C	.	.			trans	-65.2	124.5	-173.6	59.9	0	0	0	0	113	S902 D903	S900-S902 PolarHBondContact O-N 2.87Å; S900-S902 VanDerWaalsContact O-N 3.09Å; S900-D903 PolarHBondContact O-N 2.87Å
901	E	65.1	Low	84.9	Confident	77 Å²	77	43.9 Å²	43.9	36%	0.36	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-5.9	-173.6	-54	176.6	121.5	0	0	114.9	E899 S958 N962	E899-E901 PolarHBondContact O-N 3.48Å; E901-S958 PolarHBondContact OE1-OG 2.96Å; E901-N962 HydrophobicContact CB-CB 3.62Å; E901-N962 VanDerWaalsContact CD-ND2 3.26Å; E901-N962 PolarHBondContact OE2-ND2 3.44Å
902	S	64.9	Low	85	Confident	71 Å²	71	39.2 Å²	39.2	50%	0.497	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	1.7	-179.2	59	0	0	0	0	114.7	S900	S900-S902 PolarHBondContact O-N 2.87Å; S900-S902 VanDerWaalsContact O-N 3.09Å
903	D	81.4	Confident	85.1	Confident	40 Å²	40	39 Å²	39	21%	0.214	22%	0.217	C	C	.	.			trans	-85.9	123.5	179.8	-166.1	-34.2	0	0	0	111.8	R867 S900 H905 W906 V907	R867-D903 IonicContact CZ-OD2 3.21Å; R867-D903 IonicContact NH1-OD1 3.13Å; R867-D903 IonicContact NH1-OD2 2.64Å; R867-D903 PolarHBondContact NH1-OD2 2.83Å; R867-D903 IonicContact NH2-OD2 3.92Å; R867-D903 PolarHBondContact NH2-OD2 2.78Å; S900-D903 PolarHBondContact O-N 2.87Å; D903-H905 PolarHBondContact O-N 2.75Å; D903-H905 WeakPolarHBondContact OD1-CB 3.33Å; D903-H905 PolarHBondContact OD1-N 3.06Å; D903-W906 PolarHBondContact O-N 3.14Å; D903-W906 VanDerWaalsContact O-N 3.13Å; D903-V907 PolarHBondContact O-N 3.47Å
904	N	83.4	Confident	85.1	Confident	60 Å²	60	39.1 Å²	39.1	32%	0.321	22%	0.218	S	C	.	.	H	α-helix	trans	-53.4	-37	176.6	-73.4	-10.9	0	0	0	112.3	W906 V907 Y908	N904-W906 VanDerWaalsContact C-N 3.32Å; N904-W906 PolarHBondContact O-N 3.32Å; N904-V907 PolarHBondContact O-N 3.05Å; N904-Y908 WeakPolarHBondContact O-CD2 3.32Å; N904-Y908 PolarHBondContact O-N 2.98Å; N904-Y908 VanDerWaalsContact O-N 3.11Å
905	H	89	Confident	85.1	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-53.6	-49.7	178.2	177.3	73.8	0	0	0	111.9	Y653 P654 N865 N868 D903 Y908 C909	Y653-H905 WeakPolarHBondContact CB-ND1 3.28Å; Y653-H905 AromaticContact CG-CE1 3.8Å; Y653-H905 AromaticContact CG-ND1 3.97Å; P654-H905 HydrophobicContact CG-CB 4.08Å; N865-H905 PolarHBondContact ND2-CE1 2.93Å; N868-H905 PolarHBondContact OD1-CE1 2.99Å; N868-H905 PolarHBondContact OD1-NE2 3.48Å; D903-H905 PolarHBondContact O-N 2.75Å; D903-H905 WeakPolarHBondContact OD1-CB 3.33Å; D903-H905 PolarHBondContact OD1-N 3.06Å; H905-Y908 PolarHBondContact O-N 3.39Å; H905-C909 PolarHBondContact CE1-SG 2.9Å; H905-C909 WeakPolarHBondContact O-CB 3.43Å; H905-C909 PolarHBondContact O-N 3.44Å; H905-C909 PolarHBondContact O-SG 3.27Å; H905-C909 VanDerWaalsContact O-SG 3.38Å
906	W	89.4	Confident	85.2	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-75.9	-23.7	-176.3	-63.5	127	0	0	0	113.6	R867 N868 F892 M896 E899 D903 N904 C909 S910 H959	R867-W906 HydrophobicContact CG-CZ2 4.42Å; N868-W906 WeakPolarHBondContact OD1-CZ3 3.25Å; F892-W906 AromaticContact CE2-CZ3 3.9Å; F892-W906 HydrophobicContact CE2-CZ3 3.9Å; F892-W906 HydrophobicContact CZ-CZ3 4.02Å; M896-W906 HydrophobicContact CB-CE3 4.39Å; M896-W906 HydrophobicContact CG-CE3 3.6Å; M896-W906 HydrophobicContact CG-CZ3 3.63Å; M896-W906 HydrophobicContact SD-CE3 4.13Å; M896-W906 HydrophobicContact SD-CZ3 4.43Å; E899-W906 HydrophobicContact CB-CD2 4.23Å; E899-W906 HydrophobicContact CB-CG 4.25Å; E899-W906 HydrophobicContact CB-CZ2 4.19Å; E899-W906 VanDerWaalsContact CB-NE1 3.33Å; E899-W906 HydrophobicContact CG-CD2 4.47Å; E899-W906 HydrophobicContact CG-CH2 4.36Å; E899-W906 HydrophobicContact CG-CZ2 3.59Å; E899-W906 PolarHBondContact OE2-NE1 3.39Å; D903-W906 PolarHBondContact O-N 3.14Å; D903-W906 VanDerWaalsContact O-N 3.13Å; N904-W906 VanDerWaalsContact C-N 3.32Å; N904-W906 PolarHBondContact O-N 3.32Å; W906-C909 HydrophobicContact CE3-CB 4.32Å; W906-S910 VanDerWaalsContact O-CB 3.25Å; W906-S910 WeakPolarHBondContact O-CB 3.49Å; W906-S910 PolarHBondContact O-N 2.96Å; W906-S910 PolarHBondContact O-OG 3.21Å; W906-H959 PolarHBondContact O-ND1 3.04Å; W906-H959 VanDerWaalsContact O-ND1 3.09Å
907	V	88.2	Confident	85.4	Confident	13 Å²	13	32.3 Å²	32.3	8%	0.079	19%	0.187	C	C	.	.	H	α-helix	trans	-67.9	-48.5	170.2	173.5	0	0	0	0	111.4	D903 N904 S910 K911 F956 H959 C963	D903-V907 PolarHBondContact O-N 3.47Å; N904-V907 PolarHBondContact O-N 3.05Å; V907-S910 PolarHBondContact O-OG 3.25Å; V907-S910 VanDerWaalsContact O-OG 3.11Å; V907-K911 VanDerWaalsContact O-CB 3.25Å; V907-K911 WeakPolarHBondContact O-CB 3.21Å; V907-K911 PolarHBondContact O-N 3.02Å; V907-F956 HydrophobicContact CG1-CE2 4.31Å; V907-H959 HydrophobicContact CG2-CB 3.74Å; V907-H959 WeakPolarHBondContact CG2-O 3.49Å; V907-C963 HydrophobicContact CG2-CB 4.36Å; V907-C963 WeakPolarHBondContact CG2-SG 3.29Å
908	Y	90.2	Very high	85.6	Confident	48 Å²	48	25.9 Å²	25.9	19%	0.188	16%	0.158	C	C	.	.	H	α-helix	trans	-72	-37.8	-178.3	-75.3	-81.4	0	0	0	111.5	H594 Y595 P652 Q685 N904 H905 K911 F912	H594-Y908 HydrophobicContact CB-CD1 4.04Å; H594-Y908 HydrophobicContact CB-CE1 4.11Å; H594-Y908 WeakPolarHBondContact O-CE1 3.12Å; Y595-Y908 HydrophobicContact CD2-CD1 4.09Å; Y595-Y908 AromaticContact CD2-CD2 3.53Å; Y595-Y908 HydrophobicContact CD2-CD2 3.53Å; Y595-Y908 HydrophobicContact CD2-CE1 4.13Å; Y595-Y908 AromaticContact CD2-CE2 3.6Å; Y595-Y908 HydrophobicContact CD2-CE2 3.6Å; Y595-Y908 AromaticContact CD2-CG 3.81Å; Y595-Y908 HydrophobicContact CD2-CG 3.81Å; Y595-Y908 AromaticContact CD2-CZ 3.92Å; Y595-Y908 HydrophobicContact CE2-CD2 4.06Å; Y595-Y908 AromaticContact CE2-CE2 3.89Å; Y595-Y908 HydrophobicContact CE2-CE2 3.89Å; P652-Y908 CarbonylContact O-C 3.07Å; P652-Y908 WeakPolarHBondContact O-CB 2.93Å; P652-Y908 VanDerWaalsContact O-O 3.12Å; Q685-Y908 HydrophobicContact CG-CE2 4.43Å; Q685-Y908 WeakPolarHBondContact CG-OH 3.37Å; N904-Y908 WeakPolarHBondContact O-CD2 3.32Å; N904-Y908 PolarHBondContact O-N 2.98Å; N904-Y908 VanDerWaalsContact O-N 3.11Å; H905-Y908 PolarHBondContact O-N 3.39Å; Y908-K911 PolarHBondContact O-N 2.97Å; Y908-F912 WeakPolarHBondContact O-CB 3.42Å; Y908-F912 PolarHBondContact O-N 2.98Å
909	C	90.8	Very high	86.1	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59.5	-49.6	172	-81.5	0	0	0	0	112.6	P652 Y653 M896 H905 W906 K911 F912 L913	P652-C909 PolarHBondContact O-N 3.29Å; Y653-C909 VanDerWaalsContact CD1-SG 3.6Å; M896-C909 HydrophobicContact SD-CB 4.03Å; H905-C909 PolarHBondContact CE1-SG 2.9Å; H905-C909 WeakPolarHBondContact O-CB 3.43Å; H905-C909 PolarHBondContact O-N 3.44Å; H905-C909 PolarHBondContact O-SG 3.27Å; H905-C909 VanDerWaalsContact O-SG 3.38Å; W906-C909 HydrophobicContact CE3-CB 4.32Å; C909-K911 VanDerWaalsContact C-N 3.34Å; C909-K911 PolarHBondContact O-N 3.12Å; C909-F912 PolarHBondContact O-N 3.43Å; C909-L913 WeakPolarHBondContact O-CB 3.36Å; C909-L913 PolarHBondContact O-N 3.11Å
910	S	91.1	Very high	86.5	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-67.3	-36.4	-179.4	64.7	0	0	0	0	111.7	W906 V907 L914 F956	W906-S910 VanDerWaalsContact O-CB 3.25Å; W906-S910 WeakPolarHBondContact O-CB 3.49Å; W906-S910 PolarHBondContact O-N 2.96Å; W906-S910 PolarHBondContact O-OG 3.21Å; V907-S910 PolarHBondContact O-OG 3.25Å; V907-S910 VanDerWaalsContact O-OG 3.11Å; S910-L914 VanDerWaalsContact O-CB 3.24Å; S910-L914 WeakPolarHBondContact O-CB 3.42Å; S910-L914 PolarHBondContact O-N 3.46Å; S910-F956 WeakPolarHBondContact OG-CA 2.99Å
911	K	90.2	Very high	87.5	Confident	33 Å²	33	19.8 Å²	19.8	14%	0.143	10%	0.104	C	C	.	.	H	α-helix	trans	-62	-48.9	173.1	-168.6	175.8	-176.2	179.7	0	112.5	H594 V907 Y908 C909 L914 A915 F956 L1079	H594-K911 HydrophobicContact CB-CD 4.24Å; H594-K911 WeakPolarHBondContact CD2-CE 3.3Å; H594-K911 WeakPolarHBondContact NE2-CE 3.43Å; V907-K911 VanDerWaalsContact O-CB 3.25Å; V907-K911 WeakPolarHBondContact O-CB 3.21Å; V907-K911 PolarHBondContact O-N 3.02Å; Y908-K911 PolarHBondContact O-N 2.97Å; C909-K911 VanDerWaalsContact C-N 3.34Å; C909-K911 PolarHBondContact O-N 3.12Å; K911-L914 PolarHBondContact O-N 3.11Å; K911-A915 PolarHBondContact O-N 2.77Å; K911-F956 HydrophobicContact CB-CD2 3.77Å; K911-F956 HydrophobicContact CB-CE2 3.55Å; K911-F956 HydrophobicContact CB-CZ 4.3Å; K911-F956 HydrophobicContact CD-CE2 4.04Å; K911-F956 HydrophobicContact CD-CZ 4.14Å; K911-F956 HydrophobicContact CG-CD2 4.35Å; K911-F956 HydrophobicContact CG-CE2 3.8Å; K911-F956 HydrophobicContact CG-CZ 4.05Å; K911-L1079 WeakPolarHBondContact CE-OXT 3.43Å; K911-L1079 HydrophobicContact CG-CD2 4.48Å; K911-L1079 PolarHBondContact NZ-OXT 3.21Å
912	F	92.3	Very high	88.6	Confident	1 Å²	1	18 Å²	18	0%	0.004	10%	0.096	C	C	.	.	H	α-helix	trans	-60.1	-46.6	178.2	171.4	-101.4	0	0	0	111.1	H590 G592 T593 P652 M858 L861 V862 Y908 C909 L914 A915 G916	H590-F912 AromaticContact CE1-CE2 3.7Å; H590-F912 AromaticContact CG-CE2 3.92Å; H590-F912 AromaticContact ND1-CE2 3.48Å; H590-F912 WeakPolarHBondContact ND1-CE2 3.42Å; G592-F912 WeakPolarHBondContact O-CD2 3.41Å; T593-F912 HydrophobicContact CG2-CD2 3.57Å; T593-F912 HydrophobicContact CG2-CE2 3.54Å; P652-F912 HydrophobicContact CB-CB 4.01Å; P652-F912 HydrophobicContact CB-CD1 3.78Å; P652-F912 HydrophobicContact CB-CD2 3.87Å; P652-F912 HydrophobicContact CB-CE1 4.22Å; P652-F912 HydrophobicContact CB-CE2 4.3Å; P652-F912 HydrophobicContact CB-CG 3.6Å; P652-F912 HydrophobicContact CB-CZ 4.47Å; M858-F912 HydrophobicContact CG-CE1 3.86Å; M858-F912 HydrophobicContact CG-CZ 4.27Å; L861-F912 HydrophobicContact CB-CE1 4.32Å; L861-F912 HydrophobicContact CB-CZ 4.13Å; L861-F912 HydrophobicContact CD1-CE2 4.27Å; L861-F912 HydrophobicContact CD1-CZ 3.77Å; V862-F912 HydrophobicContact CG2-CD1 3.8Å; V862-F912 HydrophobicContact CG2-CE1 3.71Å; Y908-F912 WeakPolarHBondContact O-CB 3.42Å; Y908-F912 PolarHBondContact O-N 2.98Å; C909-F912 PolarHBondContact O-N 3.43Å; F912-L914 PolarHBondContact O-N 3.44Å; F912-A915 PolarHBondContact O-N 2.75Å; F912-G916 PolarHBondContact O-N 2.82Å
913	L	92.4	Very high	89.6	Confident	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64	-42.4	179.8	-178.7	62.7	0	0	0	111.9	M858 L889 F892 I893 M896 C909 G916 L917	M858-L913 HydrophobicContact CE-CD1 4.34Å; M858-L913 HydrophobicContact SD-CD1 3.87Å; L889-L913 HydrophobicContact CD2-CD1 3.72Å; F892-L913 HydrophobicContact CD1-CD2 3.94Å; F892-L913 HydrophobicContact CE1-CD2 4.28Å; I893-L913 HydrophobicContact CD1-CD2 3.93Å; I893-L913 HydrophobicContact CG1-CD2 3.38Å; M896-L913 HydrophobicContact CE-CD2 3.41Å; M896-L913 VanDerWaalsContact CE-CD2 3.41Å; C909-L913 WeakPolarHBondContact O-CB 3.36Å; C909-L913 PolarHBondContact O-N 3.11Å; L913-G916 PolarHBondContact O-N 3.38Å; L913-L917 HydrophobicContact CD1-CD1 4.06Å; L913-L917 HydrophobicContact CD1-CG 4.11Å; L913-L917 HydrophobicContact CD2-CD1 4.42Å; L913-L917 HydrophobicContact CG-CD1 3.85Å; L913-L917 HydrophobicContact CG-CG 4.33Å; L913-L917 WeakPolarHBondContact O-CB 3.35Å; L913-L917 WeakPolarHBondContact O-CG 3.44Å; L913-L917 PolarHBondContact O-N 2.79Å
914	L	92.4	Very high	89.9	Confident	4 Å²	4	13.3 Å²	13.3	2%	0.021	7%	0.065	C	C	.	.	H	α-helix	trans	-61.1	-43.8	175.7	176.8	56.9	0	0	0	111.7	S910 K911 F912 L917 C918 V949 A952 E953 F956 L1079	S910-L914 VanDerWaalsContact O-CB 3.24Å; S910-L914 WeakPolarHBondContact O-CB 3.42Å; S910-L914 PolarHBondContact O-N 3.46Å; K911-L914 PolarHBondContact O-N 3.11Å; F912-L914 PolarHBondContact O-N 3.44Å; L914-L917 PolarHBondContact O-N 3.35Å; L914-C918 WeakPolarHBondContact O-CB 3.11Å; L914-C918 PolarHBondContact O-N 3.27Å; L914-C918 PolarHBondContact O-SG 2.64Å; L914-V949 HydrophobicContact CD1-CG1 4.27Å; L914-A952 HydrophobicContact CB-CB 4.26Å; L914-A952 HydrophobicContact CD1-CB 4.2Å; L914-E953 HydrophobicContact CD1-CB 3.89Å; L914-E953 HydrophobicContact CD2-CB 4.25Å; L914-E953 HydrophobicContact CD2-CG 4.44Å; L914-F956 HydrophobicContact CD2-CB 3.94Å; L914-F956 HydrophobicContact CD2-CD1 3.69Å; L914-F956 HydrophobicContact CD2-CG 4.03Å; L914-L1079 HydrophobicContact CD2-CD2 3.66Å; L914-L1079 HydrophobicContact CG-CD1 4.29Å; L914-L1079 HydrophobicContact CG-CD2 4.05Å
915	A	90.8	Very high	90	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.1	-45.5	175.5	0	0	0	0	0	111.8	K911 F912 C918 H919 T1074	K911-A915 PolarHBondContact O-N 2.77Å; F912-A915 PolarHBondContact O-N 2.75Å; A915-C918 PolarHBondContact O-N 3.32Å; A915-H919 PolarHBondContact O-N 3.43Å; A915-H919 VanDerWaalsContact O-N 3.07Å; A915-T1074 HydrophobicContact CB-CG2 3.62Å
916	G	90.9	Very high	89.8	Confident	3 Å²	3	22.1 Å²	22.1	3%	0.031	10%	0.103	C	C	.	.	H	α-helix	trans	-63.7	-43.3	177.3	0	0	0	0	0	113.6	M858 F912 L913 H919 L920	M858-G916 VanDerWaalsContact SD-CA 3.59Å; F912-G916 PolarHBondContact O-N 2.82Å; L913-G916 PolarHBondContact O-N 3.38Å; G916-H919 PolarHBondContact O-N 2.8Å; G916-L920 WeakPolarHBondContact O-CB 3.41Å; G916-L920 PolarHBondContact O-N 2.62Å
917	L	92.8	Very high	89.5	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-67.8	-37.3	177.1	-72.7	171.2	0	0	0	112.7	M858 L889 I893 L913 L914 L920 H921 L948 V949 A952	M858-L917 HydrophobicContact CE-CD2 4.39Å; L889-L917 HydrophobicContact CD1-CD2 4.07Å; I893-L917 HydrophobicContact CD1-CD1 3.99Å; L913-L917 HydrophobicContact CD1-CD1 4.06Å; L913-L917 HydrophobicContact CD1-CG 4.11Å; L913-L917 HydrophobicContact CD2-CD1 4.42Å; L913-L917 HydrophobicContact CG-CD1 3.85Å; L913-L917 HydrophobicContact CG-CG 4.33Å; L913-L917 WeakPolarHBondContact O-CB 3.35Å; L913-L917 WeakPolarHBondContact O-CG 3.44Å; L913-L917 PolarHBondContact O-N 2.79Å; L914-L917 PolarHBondContact O-N 3.35Å; L917-L920 HydrophobicContact CD2-CD2 4.46Å; L917-L920 PolarHBondContact O-N 3.43Å; L917-H921 VanDerWaalsContact O-CB 3.32Å; L917-H921 WeakPolarHBondContact O-CB 3.46Å; L917-H921 PolarHBondContact O-N 3.01Å; L917-L948 HydrophobicContact CD1-CB 3.97Å; L917-L948 HydrophobicContact CD2-CB 4.21Å; L917-V949 HydrophobicContact CB-CG2 3.7Å; L917-V949 WeakPolarHBondContact O-CG2 3.44Å; L917-A952 HydrophobicContact CD1-CB 3.84Å
918	C	90.7	Very high	88.6	Confident	6 Å²	6	25.7 Å²	25.7	4%	0.041	12%	0.121	C	C	.	.	H	α-helix	trans	-61.7	-45.3	173	-75.7	0	0	0	0	111.3	L914 A915 H921 M922	L914-C918 WeakPolarHBondContact O-CB 3.11Å; L914-C918 PolarHBondContact O-N 3.27Å; L914-C918 PolarHBondContact O-SG 2.64Å; A915-C918 PolarHBondContact O-N 3.32Å; C918-H921 PolarHBondContact O-N 3.49Å; C918-M922 WeakPolarHBondContact O-CB 3.25Å; C918-M922 PolarHBondContact O-N 2.88Å
919	H	89.9	Confident	87.8	Confident	27 Å²	27	24.5 Å²	24.5	13%	0.125	12%	0.121	C	C	.	.	H	α-helix	trans	-64.3	-43.9	176.4	-176	68.8	0	0	0	112.1	A915 G916 H921 M922 N923 Y1073	A915-H919 PolarHBondContact O-N 3.43Å; A915-H919 VanDerWaalsContact O-N 3.07Å; G916-H919 PolarHBondContact O-N 2.8Å; H919-H921 PolarHBondContact O-N 2.79Å; H919-M922 WeakPolarHBondContact ND1-CE 3.35Å; H919-M922 PolarHBondContact O-N 2.83Å; H919-N923 PolarHBondContact CD2-ND2 2.83Å; H919-N923 VanDerWaalsContact CD2-ND2 3.25Å; H919-N923 PolarHBondContact CE1-ND2 2.89Å; H919-N923 PolarHBondContact NE2-ND2 2.99Å; H919-N923 PolarHBondContact O-N 2.88Å; H919-Y1073 HydrophobicContact CB-CD1 3.91Å; H919-Y1073 HydrophobicContact CB-CD2 4.38Å; H919-Y1073 HydrophobicContact CB-CE1 3.42Å; H919-Y1073 VanDerWaalsContact CB-CE1 3.42Å; H919-Y1073 HydrophobicContact CB-CE2 3.96Å; H919-Y1073 HydrophobicContact CB-CG 4.35Å; H919-Y1073 VanDerWaalsContact CB-CZ 3.44Å; H919-Y1073 AromaticContact CD2-CD2 3.98Å; H919-Y1073 AromaticContact CD2-CE2 3.19Å; H919-Y1073 WeakPolarHBondContact CD2-CE2 3.42Å; H919-Y1073 AromaticContact CD2-CZ 3.32Å; H919-Y1073 PolarHBondContact CD2-OH 3.45Å; H919-Y1073 VanDerWaalsContact CD2-OH 3.28Å; H919-Y1073 AromaticContact CE1-CD2 3.75Å; H919-Y1073 AromaticContact CE1-CE2 3.69Å; H919-Y1073 AromaticContact CG-CD2 3.76Å; H919-Y1073 AromaticContact CG-CE1 3.8Å; H919-Y1073 AromaticContact CG-CE2 3.33Å; H919-Y1073 AromaticContact CG-CZ 3.33Å; H919-Y1073 AromaticContact ND1-CD2 3.62Å; H919-Y1073 AromaticContact ND1-CE2 3.65Å; H919-Y1073 PolarHBondContact ND1-O 3.27Å; H919-Y1073 AromaticContact NE2-CD2 3.98Å; H919-Y1073 AromaticContact NE2-CE2 3.44Å; H919-Y1073 WeakPolarHBondContact NE2-CE2 3.46Å
920	L	90.4	Very high	87	Confident	7 Å²	7	32.9 Å²	32.9	4%	0.037	16%	0.157	C	C	.	.	H	α-helix	trans	-59.3	-46.3	176.4	178.8	59	0	0	0	111.4	V851 L886 G916 L917 M922 N923 L924 T945	V851-L920 HydrophobicContact CG1-CD1 3.48Å; V851-L920 VanDerWaalsContact CG1-CD1 3.48Å; L886-L920 HydrophobicContact CD2-CD2 3.79Å; G916-L920 WeakPolarHBondContact O-CB 3.41Å; G916-L920 PolarHBondContact O-N 2.62Å; L917-L920 HydrophobicContact CD2-CD2 4.46Å; L917-L920 PolarHBondContact O-N 3.43Å; L920-M922 PolarHBondContact O-N 2.87Å; L920-N923 PolarHBondContact O-N 3.19Å; L920-L924 HydrophobicContact CD1-CD1 4.13Å; L920-L924 HydrophobicContact CD1-CG 4.26Å; L920-L924 HydrophobicContact CG-CD1 4Å; L920-L924 WeakPolarHBondContact O-CB 3.45Å; L920-L924 VanDerWaalsContact O-CG 3.26Å; L920-L924 WeakPolarHBondContact O-CG 3.27Å; L920-L924 PolarHBondContact O-N 2.78Å; L920-T945 HydrophobicContact CB-CG2 4.4Å; L920-T945 HydrophobicContact CD2-CG2 4.13Å; L920-T945 HydrophobicContact CG-CG2 4.04Å
921	H	90.7	Very high	86.4	Confident	25 Å²	25	36.8 Å²	36.8	12%	0.116	18%	0.179	C	C	.	.	H	α-helix	trans	-58.6	-48.2	175.9	-174.8	51.2	0	0	0	111.6	L917 C918 H919 N923 L924 E925 T945 V949	L917-H921 VanDerWaalsContact O-CB 3.32Å; L917-H921 WeakPolarHBondContact O-CB 3.46Å; L917-H921 PolarHBondContact O-N 3.01Å; C918-H921 PolarHBondContact O-N 3.49Å; H919-H921 PolarHBondContact O-N 2.79Å; H921-N923 VanDerWaalsContact C-N 3.33Å; H921-N923 PolarHBondContact O-N 2.9Å; H921-L924 PolarHBondContact O-N 2.81Å; H921-E925 IonicContact CE1-OE1 3.77Å; H921-E925 IonicContact NE2-OE1 2.89Å; H921-E925 PolarHBondContact NE2-OE1 2.96Å; H921-E925 WeakPolarHBondContact O-CG 3.48Å; H921-E925 PolarHBondContact O-N 3.5Å; H921-T945 HydrophobicContact CB-CG2 3.92Å; H921-V949 HydrophobicContact CB-CG2 4.21Å
922	M	88.4	Confident	86.1	Confident	41 Å²	41	36 Å²	36	20%	0.202	18%	0.175	C	C	.	.	H	α-helix	trans	-60.3	-40.1	177.2	-178.3	-175	58.9	0	0	112.4	C918 H919 L920 E925 K926 Y1073	C918-M922 WeakPolarHBondContact O-CB 3.25Å; C918-M922 PolarHBondContact O-N 2.88Å; H919-M922 WeakPolarHBondContact ND1-CE 3.35Å; H919-M922 PolarHBondContact O-N 2.83Å; L920-M922 PolarHBondContact O-N 2.87Å; M922-E925 PolarHBondContact O-N 2.87Å; M922-K926 WeakPolarHBondContact O-CG 3.41Å; M922-K926 PolarHBondContact O-N 3.17Å; M922-Y1073 WeakPolarHBondContact CE-O 3.44Å
923	N	87	Confident	85.4	Confident	10 Å²	10	40.3 Å²	40.3	5%	0.053	21%	0.205	C	C	.	.	H	α-helix	trans	-68.7	-37.9	177.2	-73.2	-17.4	0	0	0	112	V846 V851 H919 L920 H921 K926 L927	V846-N923 HydrophobicContact CG1-CB 3.89Å; V851-N923 HydrophobicContact CG2-CB 4.01Å; H919-N923 PolarHBondContact CD2-ND2 2.83Å; H919-N923 VanDerWaalsContact CD2-ND2 3.25Å; H919-N923 PolarHBondContact CE1-ND2 2.89Å; H919-N923 PolarHBondContact NE2-ND2 2.99Å; H919-N923 PolarHBondContact O-N 2.88Å; L920-N923 PolarHBondContact O-N 3.19Å; H921-N923 VanDerWaalsContact C-N 3.33Å; H921-N923 PolarHBondContact O-N 2.9Å; N923-K926 PolarHBondContact O-N 3.21Å; N923-L927 WeakPolarHBondContact O-CG 3.47Å; N923-L927 PolarHBondContact O-N 3.1Å; N923-L927 VanDerWaalsContact O-N 3.17Å
924	L	87.4	Confident	84.9	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-67.3	-34.1	175.7	-70.8	167.8	0	0	0	112.4	V851 L920 H921 K926 L927 F932 Y938 V941 L942 T945	V851-L924 HydrophobicContact CG1-CD2 4.25Å; L920-L924 HydrophobicContact CD1-CD1 4.13Å; L920-L924 HydrophobicContact CD1-CG 4.26Å; L920-L924 HydrophobicContact CG-CD1 4Å; L920-L924 WeakPolarHBondContact O-CB 3.45Å; L920-L924 VanDerWaalsContact O-CG 3.26Å; L920-L924 WeakPolarHBondContact O-CG 3.27Å; L920-L924 PolarHBondContact O-N 2.78Å; H921-L924 PolarHBondContact O-N 2.81Å; L924-K926 VanDerWaalsContact C-N 3.31Å; L924-L927 HydrophobicContact CD2-CD1 4.47Å; L924-L927 PolarHBondContact O-N 3.32Å; L924-F932 HydrophobicContact CD2-CZ 3.83Å; L924-Y938 WeakPolarHBondContact O-CE2 3Å; L924-Y938 PolarHBondContact O-OH 3.28Å; L924-Y938 VanDerWaalsContact O-OH 3.07Å; L924-V941 HydrophobicContact CD1-CG1 3.78Å; L924-V941 HydrophobicContact CD2-CG1 3.93Å; L924-L942 HydrophobicContact CB-CD1 3.86Å; L924-T945 HydrophobicContact CD1-CG2 4.15Å; L924-T945 WeakPolarHBondContact CD1-OG1 3.36Å
925	E	85.6	Confident	84.5	Confident	117 Å²	117	47.7 Å²	47.7	55%	0.547	25%	0.248	S	C	.	.	H	α-helix	trans	-66.3	-33.2	172.5	-72.7	-176.8	148.1	0	0	112.4	H921 M922 L927 L942	H921-E925 IonicContact CE1-OE1 3.77Å; H921-E925 IonicContact NE2-OE1 2.89Å; H921-E925 PolarHBondContact NE2-OE1 2.96Å; H921-E925 WeakPolarHBondContact O-CG 3.48Å; H921-E925 PolarHBondContact O-N 3.5Å; M922-E925 PolarHBondContact O-N 2.87Å; E925-L927 VanDerWaalsContact C-N 3.33Å; E925-L942 HydrophobicContact CG-CD1 4.09Å
926	K	85.1	Confident	84.1	Confident	129 Å²	129	54.3 Å²	54.3	56%	0.561	28%	0.279	S	S	*	.	H	α-helix	trans	-75.5	-20.6	176.1	-70.8	174.1	-176.6	174.3	0	113.1	V846 M922 N923 L924	V846-K926 HydrophobicContact CG2-CB 4.38Å; V846-K926 HydrophobicContact CG2-CD 4.18Å; M922-K926 WeakPolarHBondContact O-CG 3.41Å; M922-K926 PolarHBondContact O-N 3.17Å; N923-K926 PolarHBondContact O-N 3.21Å; L924-K926 VanDerWaalsContact C-N 3.31Å
927	L	82.1	Confident	83.8	Confident	3 Å²	3	55.3 Å²	55.3	2%	0.016	28%	0.283	C	S	.	.	S	Bend	trans	-85.9	124.5	176.7	-74	168.7	0	0	0	110.7	V846 I848 V851 N923 L924 E925 F932 Y938	V846-L927 HydrophobicContact CB-CD2 4.47Å; V846-L927 HydrophobicContact CG1-CD1 4.09Å; V846-L927 HydrophobicContact CG1-CD2 4.06Å; V846-L927 HydrophobicContact CG1-CG 3.78Å; V846-L927 VanDerWaalsContact O-CD2 3.25Å; V846-L927 WeakPolarHBondContact O-CD2 3.46Å; I848-L927 HydrophobicContact CD1-CD1 4.03Å; V851-L927 HydrophobicContact CG2-CD1 3.64Å; N923-L927 WeakPolarHBondContact O-CG 3.47Å; N923-L927 PolarHBondContact O-N 3.1Å; N923-L927 VanDerWaalsContact O-N 3.17Å; L924-L927 HydrophobicContact CD2-CD1 4.47Å; L924-L927 PolarHBondContact O-N 3.32Å; E925-L927 VanDerWaalsContact C-N 3.33Å; L927-F932 HydrophobicContact CB-CE2 4.48Å; L927-Y938 WeakPolarHBondContact O-CE2 3.38Å; L927-Y938 PolarHBondContact O-OH 3.38Å; L927-Y938 VanDerWaalsContact O-OH 3.07Å
928	D	68.6	Low	83.5	Confident	84 Å²	84	56.9 Å²	56.9	45%	0.449	29%	0.289	S	S	.	.			trans	-72.2	153.6	172.5	-169.1	6.2	0	0	0	110.7	K930 N931	D928-K930 PolarHBondContact O-N 3.32Å; D928-K930 WeakPolarHBondContact OD2-CD 3.39Å; D928-K930 VanDerWaalsContact OD2-CE 3.29Å; D928-K930 WeakPolarHBondContact OD2-CE 3.45Å; D928-K930 IonicContact OD2-NZ 3.67Å; D928-K930 PolarHBondContact OD2-NZ 3.17Å; D928-K930 VanDerWaalsContact OD2-NZ 3.1Å; D928-N931 PolarHBondContact O-N 3.49Å; D928-N931 VanDerWaalsContact O-N 3.11Å; D928-N931 PolarHBondContact O-ND2 2.73Å
929	A	73.6	Confident	83.3	Confident	23 Å²	23	61.3 Å²	61.3	19%	0.19	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-58	-17.6	-178.9	0	0	0	0	0	113.6	N931 F932 L935 Y938	A929-N931 PolarHBondContact O-N 3.44Å; A929-F932 PolarHBondContact O-N 3.23Å; A929-L935 HydrophobicContact CB-CD1 3.52Å; A929-Y938 HydrophobicContact CB-CD1 3.94Å; A929-Y938 HydrophobicContact CB-CE1 4.44Å; A929-Y938 HydrophobicContact CB-CG 4.28Å
930	K	75.2	Confident	83.2	Confident	176 Å²	176	67.3 Å²	67.3	77%	0.765	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-65	-18.5	176.8	-62.9	175	-172	148.3	0	114.3	D928 F932	D928-K930 PolarHBondContact O-N 3.32Å; D928-K930 WeakPolarHBondContact OD2-CD 3.39Å; D928-K930 VanDerWaalsContact OD2-CE 3.29Å; D928-K930 WeakPolarHBondContact OD2-CE 3.45Å; D928-K930 IonicContact OD2-NZ 3.67Å; D928-K930 PolarHBondContact OD2-NZ 3.17Å; D928-K930 VanDerWaalsContact OD2-NZ 3.1Å; K930-F932 VanDerWaalsContact C-N 3.3Å
931	N	77.9	Confident	83.1	Confident	83 Å²	83	67 Å²	67	44%	0.444	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-86.5	-0.1	179.5	-62.2	-59.2	0	0	0	113.3	I848 D928 A929	I848-N931 HydrophobicContact CD1-CB 4.05Å; I848-N931 HydrophobicContact CG1-CB 3.79Å; I848-N931 WeakPolarHBondContact CG1-O 3.25Å; D928-N931 PolarHBondContact O-N 3.49Å; D928-N931 VanDerWaalsContact O-N 3.11Å; D928-N931 PolarHBondContact O-ND2 2.73Å; A929-N931 PolarHBondContact O-N 3.44Å
932	F	83.8	Confident	83.1	Confident	17 Å²	17	67.4 Å²	67.4	8%	0.075	33%	0.332	C	S	.	.	S	Bend	trans	-116.6	156.4	-179.2	-69.7	-97.6	0	0	0	110.8	I848 L882 L924 L927 A929 K930 C934 E937 Y938	I848-F932 HydrophobicContact CD1-CD2 4.16Å; I848-F932 HydrophobicContact CD1-CE1 3.99Å; I848-F932 HydrophobicContact CD1-CE2 3.57Å; I848-F932 HydrophobicContact CD1-CZ 3.48Å; I848-F932 VanDerWaalsContact CD1-CZ 3.48Å; L882-F932 HydrophobicContact CD1-CE1 4.14Å; L924-F932 HydrophobicContact CD2-CZ 3.83Å; L927-F932 HydrophobicContact CB-CE2 4.48Å; A929-F932 PolarHBondContact O-N 3.23Å; K930-F932 VanDerWaalsContact C-N 3.3Å; F932-C934 PolarHBondContact O-N 3.49Å; F932-E937 HydrophobicContact CD1-CG 4.34Å; F932-Y938 AromaticContact CD2-CD2 3.53Å; F932-Y938 HydrophobicContact CD2-CD2 3.53Å; F932-Y938 HydrophobicContact CD2-CE2 4.42Å; F932-Y938 HydrophobicContact CD2-CG 4.13Å; F932-Y938 AromaticContact CE2-CD2 3.39Å; F932-Y938 HydrophobicContact CE2-CD2 3.39Å; F932-Y938 AromaticContact CE2-CE2 3.99Å; F932-Y938 HydrophobicContact CE2-CE2 3.99Å; F932-Y938 HydrophobicContact CE2-CG 4.39Å; F932-Y938 HydrophobicContact CG-CD2 4.25Å; F932-Y938 AromaticContact CZ-CD2 3.99Å; F932-Y938 HydrophobicContact CZ-CD2 3.99Å
933	S	78.7	Confident	83.2	Confident	91 Å²	91	70.5 Å²	70.5	64%	0.636	35%	0.349	S	S	*	.	S	Bend	trans	-62	-31.9	-177.6	-23.8	0	0	0	0	112.4	E937	S933-E937 WeakPolarHBondContact CB-OE2 3.19Å; S933-E937 PolarHBondContact N-OE2 2.89Å; S933-E937 PolarHBondContact OG-OE2 3.28Å
934	C	81	Confident	83.5	Confident	58 Å²	58	72.1 Å²	72.1	39%	0.392	36%	0.36	S	S	.	.			trans	-152.8	159.5	171.5	68.2	0	0	0	0	112.6	F932 E936 E937 Y938	F932-C934 PolarHBondContact O-N 3.49Å; C934-E936 PolarHBondContact O-N 3.18Å; C934-E937 WeakPolarHBondContact O-CB 3.33Å; C934-E937 PolarHBondContact O-N 2.95Å; C934-E937 PolarHBondContact SG-N 2.86Å; C934-E937 VanDerWaalsContact SG-N 3.38Å; C934-Y938 PolarHBondContact O-N 3.43Å
935	L	84.5	Confident	83.7	Confident	101 Å²	101	72.1 Å²	72.1	53%	0.529	36%	0.36	S	S	.	.	H	α-helix	trans	-60.7	-33.6	178.5	-177.5	65.3	0	0	0	112.6	A929 Y938 Q939	A929-L935 HydrophobicContact CB-CD1 3.52Å; L935-Y938 HydrophobicContact CD1-CD1 4.49Å; L935-Y938 PolarHBondContact O-N 3.44Å; L935-Q939 WeakPolarHBondContact O-CG 3.26Å; L935-Q939 PolarHBondContact O-N 3.33Å
936	E	82.9	Confident	84	Confident	139 Å²	139	68.7 Å²	68.7	65%	0.65	35%	0.345	S	S	*	.	H	α-helix	trans	-66.5	-37.5	177.5	-66.2	-178.7	179.7	0	0	112.3	C934 R940	C934-E936 PolarHBondContact O-N 3.18Å; E936-R940 WeakPolarHBondContact O-CB 3.48Å; E936-R940 PolarHBondContact O-N 3.06Å
937	E	83.4	Confident	84.5	Confident	24 Å²	24	66.8 Å²	66.8	11%	0.112	34%	0.341	C	S	.	.	H	α-helix	trans	-64.1	-48	175.9	-174.4	-171.4	163.7	0	0	110.3	S879 Y880 F932 S933 C934 Q939 R940 V941	S879-E937 VanDerWaalsContact C-OE1 3.24Å; S879-E937 WeakPolarHBondContact CB-OE1 3.35Å; S879-E937 PolarHBondContact OG-OE1 3.5Å; Y880-E937 WeakPolarHBondContact CA-OE1 3.44Å; Y880-E937 PolarHBondContact N-OE1 3.25Å; Y880-E937 VanDerWaalsContact N-OE1 3.14Å; F932-E937 HydrophobicContact CD1-CG 4.34Å; S933-E937 WeakPolarHBondContact CB-OE2 3.19Å; S933-E937 PolarHBondContact N-OE2 2.89Å; S933-E937 PolarHBondContact OG-OE2 3.28Å; C934-E937 WeakPolarHBondContact O-CB 3.33Å; C934-E937 PolarHBondContact O-N 2.95Å; C934-E937 PolarHBondContact SG-N 2.86Å; C934-E937 VanDerWaalsContact SG-N 3.38Å; E937-Q939 PolarHBondContact O-N 2.95Å; E937-R940 PolarHBondContact O-N 3.08Å; E937-V941 VanDerWaalsContact O-CG2 3.31Å; E937-V941 WeakPolarHBondContact O-CG2 3.25Å; E937-V941 PolarHBondContact O-N 2.89Å
938	Y	86.6	Confident	85	Confident	33 Å²	33	66.7 Å²	66.7	13%	0.129	34%	0.34	C	S	.	.	H	α-helix	trans	-57.7	-50.2	176.1	174.1	-111.3	0	0	0	112.3	L924 L927 A929 F932 C934 L935 R940 V941 L942	L924-Y938 WeakPolarHBondContact O-CE2 3Å; L924-Y938 PolarHBondContact O-OH 3.28Å; L924-Y938 VanDerWaalsContact O-OH 3.07Å; L927-Y938 WeakPolarHBondContact O-CE2 3.38Å; L927-Y938 PolarHBondContact O-OH 3.38Å; L927-Y938 VanDerWaalsContact O-OH 3.07Å; A929-Y938 HydrophobicContact CB-CD1 3.94Å; A929-Y938 HydrophobicContact CB-CE1 4.44Å; A929-Y938 HydrophobicContact CB-CG 4.28Å; F932-Y938 AromaticContact CD2-CD2 3.53Å; F932-Y938 HydrophobicContact CD2-CD2 3.53Å; F932-Y938 HydrophobicContact CD2-CE2 4.42Å; F932-Y938 HydrophobicContact CD2-CG 4.13Å; F932-Y938 AromaticContact CE2-CD2 3.39Å; F932-Y938 HydrophobicContact CE2-CD2 3.39Å; F932-Y938 AromaticContact CE2-CE2 3.99Å; F932-Y938 HydrophobicContact CE2-CE2 3.99Å; F932-Y938 HydrophobicContact CE2-CG 4.39Å; F932-Y938 HydrophobicContact CG-CD2 4.25Å; F932-Y938 AromaticContact CZ-CD2 3.99Å; F932-Y938 HydrophobicContact CZ-CD2 3.99Å; C934-Y938 PolarHBondContact O-N 3.43Å; L935-Y938 HydrophobicContact CD1-CD1 4.49Å; L935-Y938 PolarHBondContact O-N 3.44Å; Y938-R940 VanDerWaalsContact C-N 3.32Å; Y938-R940 PolarHBondContact O-N 3.07Å; Y938-V941 PolarHBondContact O-N 3.15Å; Y938-L942 HydrophobicContact CE1-CD2 4.38Å; Y938-L942 WeakPolarHBondContact O-CB 3.32Å; Y938-L942 PolarHBondContact O-N 3.23Å
939	Q	86.6	Confident	86.2	Confident	99 Å²	99	62.7 Å²	62.7	46%	0.463	32%	0.319	S	S	.	.	H	α-helix	trans	-63.3	-38.3	178.9	-73.7	-179.4	-13.3	0	0	112.1	L935 E937 N943	L935-Q939 WeakPolarHBondContact O-CG 3.26Å; L935-Q939 PolarHBondContact O-N 3.33Å; E937-Q939 PolarHBondContact O-N 2.95Å; Q939-N943 VanDerWaalsContact O-CB 3.24Å; Q939-N943 WeakPolarHBondContact O-CB 3.34Å; Q939-N943 VanDerWaalsContact O-CG 3.24Å; Q939-N943 PolarHBondContact O-N 2.99Å; Q939-N943 PolarHBondContact O-ND2 2.98Å
940	R	87.8	Confident	87.1	Confident	152 Å²	152	68.9 Å²	68.9	57%	0.574	34%	0.337	S	S	*	.	H	α-helix	trans	-62.9	-48.7	175.7	-175.5	177.6	-66.8	174.8	1.9	110.9	E936 E937 Y938 T944	E936-R940 WeakPolarHBondContact O-CB 3.48Å; E936-R940 PolarHBondContact O-N 3.06Å; E937-R940 PolarHBondContact O-N 3.08Å; Y938-R940 VanDerWaalsContact C-N 3.32Å; Y938-R940 PolarHBondContact O-N 3.07Å; R940-T944 WeakPolarHBondContact O-CB 3.38Å; R940-T944 PolarHBondContact O-N 2.8Å; R940-T944 PolarHBondContact O-OG1 3.42Å
941	V	89.1	Confident	87.9	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.006	31%	0.313	C	S	.	.	H	α-helix	trans	-62.4	-46.4	178.9	171.5	0	0	0	0	111.1	L882 V883 L886 L924 E937 Y938 T944 T945	L882-V941 HydrophobicContact CB-CG1 4.44Å; L882-V941 HydrophobicContact CB-CG2 4.34Å; L882-V941 HydrophobicContact CD1-CG1 4.34Å; V883-V941 HydrophobicContact CG2-CG2 3.53Å; L886-V941 HydrophobicContact CD1-CG1 4.11Å; L924-V941 HydrophobicContact CD1-CG1 3.78Å; L924-V941 HydrophobicContact CD2-CG1 3.93Å; E937-V941 VanDerWaalsContact O-CG2 3.31Å; E937-V941 WeakPolarHBondContact O-CG2 3.25Å; E937-V941 PolarHBondContact O-N 2.89Å; Y938-V941 PolarHBondContact O-N 3.15Å; V941-T944 PolarHBondContact O-N 2.92Å; V941-T945 WeakPolarHBondContact O-CB 3.4Å; V941-T945 PolarHBondContact O-N 3.08Å; V941-T945 PolarHBondContact O-OG1 2.63Å
942	L	90.1	Very high	88.6	Confident	34 Å²	34	59.4 Å²	59.4	18%	0.178	29%	0.292	C	S	.	.	H	α-helix	trans	-64.1	-47.7	-179.2	-172.5	69.8	0	0	0	112.2	L924 E925 Y938 T945 N946	L924-L942 HydrophobicContact CB-CD1 3.86Å; E925-L942 HydrophobicContact CG-CD1 4.09Å; Y938-L942 HydrophobicContact CE1-CD2 4.38Å; Y938-L942 WeakPolarHBondContact O-CB 3.32Å; Y938-L942 PolarHBondContact O-N 3.23Å; L942-T945 PolarHBondContact O-N 3.26Å; L942-N946 PolarHBondContact O-N 2.97Å
943	N	90.1	Very high	88.9	Confident	105 Å²	105	61.9 Å²	61.9	56%	0.561	30%	0.304	S	S	*	.	H	α-helix	trans	-65.9	-40.2	178.9	-73.5	-23.3	0	0	0	112	Q939 N946 L947	Q939-N943 VanDerWaalsContact O-CB 3.24Å; Q939-N943 WeakPolarHBondContact O-CB 3.34Å; Q939-N943 VanDerWaalsContact O-CG 3.24Å; Q939-N943 PolarHBondContact O-N 2.99Å; Q939-N943 PolarHBondContact O-ND2 2.98Å; N943-N946 PolarHBondContact O-N 2.96Å; N943-L947 WeakPolarHBondContact O-CB 3.48Å; N943-L947 PolarHBondContact O-N 2.89Å
944	T	92.4	Very high	89.4	Confident	45 Å²	45	63.5 Å²	63.5	28%	0.276	30%	0.303	S	S	.	.	H	α-helix	trans	-64	-44.7	176.3	-55.8	0	0	0	0	110.3	L886 R940 V941 N946 L947 L948	L886-T944 HydrophobicContact CB-CG2 4.19Å; L886-T944 HydrophobicContact CD1-CG2 4.16Å; R940-T944 WeakPolarHBondContact O-CB 3.38Å; R940-T944 PolarHBondContact O-N 2.8Å; R940-T944 PolarHBondContact O-OG1 3.42Å; V941-T944 PolarHBondContact O-N 2.92Å; T944-N946 PolarHBondContact O-N 3.07Å; T944-L947 WeakPolarHBondContact O-CB 3.48Å; T944-L947 PolarHBondContact O-N 3.35Å; T944-L948 HydrophobicContact CG2-CD1 4.21Å; T944-L948 VanDerWaalsContact O-CG 3.28Å; T944-L948 WeakPolarHBondContact O-CG 3.44Å; T944-L948 PolarHBondContact O-N 3.45Å
945	T	92.4	Very high	89.8	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.5	-45.6	177.6	-53.9	0	0	0	0	111.5	L886 L920 H921 L924 V941 L942 L947 L948 V949	L886-T945 WeakPolarHBondContact CD1-OG1 3.15Å; L920-T945 HydrophobicContact CB-CG2 4.4Å; L920-T945 HydrophobicContact CD2-CG2 4.13Å; L920-T945 HydrophobicContact CG-CG2 4.04Å; H921-T945 HydrophobicContact CB-CG2 3.92Å; L924-T945 HydrophobicContact CD1-CG2 4.15Å; L924-T945 WeakPolarHBondContact CD1-OG1 3.36Å; V941-T945 WeakPolarHBondContact O-CB 3.4Å; V941-T945 PolarHBondContact O-N 3.08Å; V941-T945 PolarHBondContact O-OG1 2.63Å; L942-T945 PolarHBondContact O-N 3.26Å; T945-L947 VanDerWaalsContact C-N 3.34Å; T945-L947 PolarHBondContact O-N 2.87Å; T945-L948 PolarHBondContact O-N 2.9Å; T945-L948 VanDerWaalsContact O-N 3.13Å; T945-V949 WeakPolarHBondContact O-CG2 3.42Å; T945-V949 PolarHBondContact O-N 2.74Å
946	N	92.9	Very high	90	Very high	45 Å²	45	57.3 Å²	57.3	24%	0.241	27%	0.266	C	S	.	.	H	α-helix	trans	-61.1	-41.5	176.7	-172.7	6.4	0	0	0	112.1	L942 N943 T944 L948 V949 R950	L942-N946 PolarHBondContact O-N 2.97Å; N943-N946 PolarHBondContact O-N 2.96Å; T944-N946 PolarHBondContact O-N 3.07Å; N946-L948 VanDerWaalsContact C-N 3.32Å; N946-L948 PolarHBondContact O-N 3.18Å; N946-V949 PolarHBondContact O-N 3.49Å; N946-R950 WeakPolarHBondContact O-CG 3.32Å; N946-R950 PolarHBondContact O-N 3.09Å; N946-R950 VanDerWaalsContact O-N 3.1Å
947	L	93.8	Very high	90.2	Very high	89 Å²	89	53.6 Å²	53.6	47%	0.466	26%	0.255	S	S	.	.	H	α-helix	trans	-59.7	-43.6	173.6	179.8	66	0	0	0	111.5	N943 T944 T945 R950 K951	N943-L947 WeakPolarHBondContact O-CB 3.48Å; N943-L947 PolarHBondContact O-N 2.89Å; T944-L947 WeakPolarHBondContact O-CB 3.48Å; T944-L947 PolarHBondContact O-N 3.35Å; T945-L947 VanDerWaalsContact C-N 3.34Å; T945-L947 PolarHBondContact O-N 2.87Å; L947-R950 PolarHBondContact O-N 3.28Å; L947-K951 HydrophobicContact CG-CD 4.44Å; L947-K951 WeakPolarHBondContact O-CG 3.42Å; L947-K951 PolarHBondContact O-N 3.42Å
948	L	93.9	Very high	90.4	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-68.2	-38	178.8	-64.9	174.8	0	0	0	112.6	L886 H890 I893 L917 T944 T945 N946 R950 K951 A952	L886-L948 HydrophobicContact CB-CD1 3.94Å; L886-L948 HydrophobicContact CD2-CD1 3.99Å; L886-L948 HydrophobicContact CG-CD1 4.48Å; L886-L948 WeakPolarHBondContact O-CD1 3.37Å; H890-L948 HydrophobicContact CB-CD2 3.51Å; H890-L948 WeakPolarHBondContact ND1-CD2 3.26Å; I893-L948 HydrophobicContact CD1-CB 4.15Å; I893-L948 HydrophobicContact CD1-CD2 3.93Å; L917-L948 HydrophobicContact CD1-CB 3.97Å; L917-L948 HydrophobicContact CD2-CB 4.21Å; T944-L948 HydrophobicContact CG2-CD1 4.21Å; T944-L948 VanDerWaalsContact O-CG 3.28Å; T944-L948 WeakPolarHBondContact O-CG 3.44Å; T944-L948 PolarHBondContact O-N 3.45Å; T945-L948 PolarHBondContact O-N 2.9Å; T945-L948 VanDerWaalsContact O-N 3.13Å; N946-L948 VanDerWaalsContact C-N 3.32Å; N946-L948 PolarHBondContact O-N 3.18Å; L948-R950 VanDerWaalsContact C-N 3.34Å; L948-R950 PolarHBondContact O-N 2.89Å; L948-K951 PolarHBondContact O-N 2.59Å; L948-A952 VanDerWaalsContact O-CB 3.27Å; L948-A952 WeakPolarHBondContact O-CB 3.24Å; L948-A952 PolarHBondContact O-N 2.88Å
949	V	93.4	Very high	90.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-55.6	-50.5	171.7	170.7	0	0	0	0	110	L914 L917 H921 T945 N946 K951 A952 E953	L914-V949 HydrophobicContact CD1-CG1 4.27Å; L917-V949 HydrophobicContact CB-CG2 3.7Å; L917-V949 WeakPolarHBondContact O-CG2 3.44Å; H921-V949 HydrophobicContact CB-CG2 4.21Å; T945-V949 WeakPolarHBondContact O-CG2 3.42Å; T945-V949 PolarHBondContact O-N 2.74Å; N946-V949 PolarHBondContact O-N 3.49Å; V949-K951 PolarHBondContact O-N 3.39Å; V949-A952 PolarHBondContact O-N 2.79Å; V949-E953 VanDerWaalsContact O-CB 3.3Å; V949-E953 WeakPolarHBondContact O-CB 3.09Å; V949-E953 PolarHBondContact O-N 3.13Å
950	R	92.7	Very high	90	Very high	154 Å²	154	52.9 Å²	52.9	58%	0.581	26%	0.26	S	S	*	.	H	α-helix	trans	-62.5	-41.7	179.1	-67.4	178.4	-175.6	-169.1	-3	112.3	N946 L947 L948 E953 M954	N946-R950 WeakPolarHBondContact O-CG 3.32Å; N946-R950 PolarHBondContact O-N 3.09Å; N946-R950 VanDerWaalsContact O-N 3.1Å; L947-R950 PolarHBondContact O-N 3.28Å; L948-R950 VanDerWaalsContact C-N 3.34Å; L948-R950 PolarHBondContact O-N 2.89Å; R950-E953 PolarHBondContact O-N 2.86Å; R950-M954 WeakPolarHBondContact O-CG 3.36Å; R950-M954 PolarHBondContact O-N 3.22Å
951	K	92.6	Very high	89.2	Confident	59 Å²	59	49.6 Å²	49.6	26%	0.257	26%	0.261	S	S	.	.	H	α-helix	trans	-64.9	-44.6	176.5	-71.3	-174.5	-179.6	-174.3	0	111.6	H890 I893 L947 L948 V949 E953 M954 V955	H890-K951 PolarHBondContact CE1-NZ 3.15Å; H890-K951 PolarHBondContact NE2-NZ 2.9Å; H890-K951 VanDerWaalsContact NE2-NZ 3.14Å; I893-K951 HydrophobicContact CG2-CB 3.94Å; L947-K951 HydrophobicContact CG-CD 4.44Å; L947-K951 WeakPolarHBondContact O-CG 3.42Å; L947-K951 PolarHBondContact O-N 3.42Å; L948-K951 PolarHBondContact O-N 2.59Å; V949-K951 PolarHBondContact O-N 3.39Å; K951-E953 VanDerWaalsContact C-N 3.32Å; K951-E953 PolarHBondContact O-N 2.6Å; K951-M954 HydrophobicContact CG-CE 4.2Å; K951-M954 PolarHBondContact O-N 2.97Å; K951-V955 WeakPolarHBondContact O-CG2 3.5Å; K951-V955 PolarHBondContact O-N 3.39Å
952	A	91.4	Very high	87.9	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.1	-37.2	176.7	0	0	0	0	0	112	I893 L914 L917 L948 V949 V955 F956	I893-A952 HydrophobicContact CD1-CB 4.13Å; L914-A952 HydrophobicContact CB-CB 4.26Å; L914-A952 HydrophobicContact CD1-CB 4.2Å; L917-A952 HydrophobicContact CD1-CB 3.84Å; L948-A952 VanDerWaalsContact O-CB 3.27Å; L948-A952 WeakPolarHBondContact O-CB 3.24Å; L948-A952 PolarHBondContact O-N 2.88Å; V949-A952 PolarHBondContact O-N 2.79Å; A952-V955 PolarHBondContact O-N 2.91Å; A952-F956 VanDerWaalsContact O-CB 3.3Å; A952-F956 WeakPolarHBondContact O-CB 3.25Å; A952-F956 PolarHBondContact O-N 3.43Å
953	E	91.1	Very high	86.3	Confident	70 Å²	70	53 Å²	53	33%	0.327	28%	0.28	S	S	.	.	H	α-helix	trans	-64.8	-42.3	175.9	-172	165.1	-169.7	0	0	112.3	L914 V949 R950 K951 S957 R1076	L914-E953 HydrophobicContact CD1-CB 3.89Å; L914-E953 HydrophobicContact CD2-CB 4.25Å; L914-E953 HydrophobicContact CD2-CG 4.44Å; V949-E953 VanDerWaalsContact O-CB 3.3Å; V949-E953 WeakPolarHBondContact O-CB 3.09Å; V949-E953 PolarHBondContact O-N 3.13Å; R950-E953 PolarHBondContact O-N 2.86Å; K951-E953 VanDerWaalsContact C-N 3.32Å; K951-E953 PolarHBondContact O-N 2.6Å; E953-S957 VanDerWaalsContact O-CB 3.3Å; E953-S957 WeakPolarHBondContact O-CB 3.18Å; E953-S957 PolarHBondContact O-N 2.96Å; E953-S957 PolarHBondContact O-OG 3.07Å; E953-R1076 IonicContact OE1-NH1 2.77Å; E953-R1076 IonicContact OE2-CZ 2.73Å; E953-R1076 IonicContact OE2-NH1 3.97Å; E953-R1076 PolarHBondContact OE2-NH1 3.32Å
954	M	89.2	Confident	84.3	Confident	125 Å²	125	52.6 Å²	52.6	62%	0.616	28%	0.284	S	S	*	.	H	α-helix	trans	-62.8	-47.2	173	-71.3	-173.8	-64.3	0	0	111.9	R950 K951 S957 S958	R950-M954 WeakPolarHBondContact O-CG 3.36Å; R950-M954 PolarHBondContact O-N 3.22Å; K951-M954 HydrophobicContact CG-CE 4.2Å; K951-M954 PolarHBondContact O-N 2.97Å; M954-S957 PolarHBondContact O-N 3.18Å; M954-S958 PolarHBondContact O-N 3.05Å
955	V	89.8	Confident	82.2	Confident	7 Å²	7	54.6 Å²	54.6	4%	0.042	31%	0.305	C	S	.	.	H	α-helix	trans	-63	-45.4	179.1	172.2	0	0	0	0	111.2	I893 M896 Q897 K951 A952 S957 S958 H959	I893-V955 HydrophobicContact CG2-CG2 4.01Å; M896-V955 HydrophobicContact CB-CG1 3.98Å; Q897-V955 HydrophobicContact CB-CG2 4.03Å; Q897-V955 HydrophobicContact CG-CG2 4.38Å; K951-V955 WeakPolarHBondContact O-CG2 3.5Å; K951-V955 PolarHBondContact O-N 3.39Å; A952-V955 PolarHBondContact O-N 2.91Å; V955-S957 PolarHBondContact O-N 2.96Å; V955-S958 PolarHBondContact O-N 3.07Å; V955-H959 VanDerWaalsContact CG1-CE1 3.48Å; V955-H959 WeakPolarHBondContact CG1-CE1 3.36Å; V955-H959 VanDerWaalsContact O-CG 3.31Å; V955-H959 PolarHBondContact O-N 3.2Å
956	F	88.8	Confident	80.1	Confident	21 Å²	21	60.3 Å²	60.3	9%	0.092	34%	0.342	C	S	.	.	H	α-helix	trans	-60.5	-44.7	175.7	173	-114	0	0	0	111.8	V907 S910 K911 L914 A952 S958 H959 L960 L1079	V907-F956 HydrophobicContact CG1-CE2 4.31Å; S910-F956 WeakPolarHBondContact OG-CA 2.99Å; K911-F956 HydrophobicContact CB-CD2 3.77Å; K911-F956 HydrophobicContact CB-CE2 3.55Å; K911-F956 HydrophobicContact CB-CZ 4.3Å; K911-F956 HydrophobicContact CD-CE2 4.04Å; K911-F956 HydrophobicContact CD-CZ 4.14Å; K911-F956 HydrophobicContact CG-CD2 4.35Å; K911-F956 HydrophobicContact CG-CE2 3.8Å; K911-F956 HydrophobicContact CG-CZ 4.05Å; L914-F956 HydrophobicContact CD2-CB 3.94Å; L914-F956 HydrophobicContact CD2-CD1 3.69Å; L914-F956 HydrophobicContact CD2-CG 4.03Å; A952-F956 VanDerWaalsContact O-CB 3.3Å; A952-F956 WeakPolarHBondContact O-CB 3.25Å; A952-F956 PolarHBondContact O-N 3.43Å; F956-S958 VanDerWaalsContact C-N 3.34Å; F956-S958 PolarHBondContact O-N 3.26Å; F956-H959 PolarHBondContact O-N 2.94Å; F956-L960 HydrophobicContact CE1-CD2 4.19Å; F956-L960 HydrophobicContact CZ-CD2 4.02Å; F956-L960 VanDerWaalsContact O-CB 3.23Å; F956-L960 WeakPolarHBondContact O-CB 3.3Å; F956-L960 PolarHBondContact O-N 2.9Å; F956-L1079 HydrophobicContact CE1-CD2 4.22Å
957	S	87.1	Confident	77.5	Confident	62 Å²	62	64.7 Å²	64.7	43%	0.434	37%	0.37	S	S	.	.	H	α-helix	trans	-62.3	-40.6	177.9	-58.8	0	0	0	0	112.1	E953 M954 V955 L960 S961	E953-S957 VanDerWaalsContact O-CB 3.3Å; E953-S957 WeakPolarHBondContact O-CB 3.18Å; E953-S957 PolarHBondContact O-N 2.96Å; E953-S957 PolarHBondContact O-OG 3.07Å; M954-S957 PolarHBondContact O-N 3.18Å; V955-S957 PolarHBondContact O-N 2.96Å; S957-L960 PolarHBondContact O-N 3.29Å; S957-S961 WeakPolarHBondContact O-CB 3.28Å; S957-S961 PolarHBondContact O-N 3.29Å; S957-S961 PolarHBondContact O-OG 3.11Å
958	S	85.9	Confident	74.7	Confident	43 Å²	43	71.6 Å²	71.6	30%	0.301	39%	0.39	S	S	.	.	H	α-helix	trans	-62	-52.3	175.9	-140.3	0	0	0	0	111.3	E901 M954 V955 F956 L960 S961 N962	E901-S958 PolarHBondContact OE1-OG 2.96Å; M954-S958 PolarHBondContact O-N 3.05Å; V955-S958 PolarHBondContact O-N 3.07Å; F956-S958 VanDerWaalsContact C-N 3.34Å; F956-S958 PolarHBondContact O-N 3.26Å; S958-L960 VanDerWaalsContact C-N 3.28Å; S958-L960 PolarHBondContact O-N 3.5Å; S958-S961 PolarHBondContact O-N 3.23Å; S958-S961 PolarHBondContact O-OG 3.28Å; S958-N962 PolarHBondContact O-N 3.48Å
959	H	84.8	Confident	72	Confident	3 Å²	3	79.9 Å²	79.9	1%	0.014	43%	0.426	C	S	.	.	H	α-helix	trans	-63	-34.6	178.6	-63.2	178.1	0	0	0	111.9	M896 W906 V907 V955 F956 C963	M896-H959 PolarHBondContact O-CE1 3.39Å; M896-H959 PolarHBondContact O-NE2 3.28Å; W906-H959 PolarHBondContact O-ND1 3.04Å; W906-H959 VanDerWaalsContact O-ND1 3.09Å; V907-H959 HydrophobicContact CG2-CB 3.74Å; V907-H959 WeakPolarHBondContact CG2-O 3.49Å; V955-H959 VanDerWaalsContact CG1-CE1 3.48Å; V955-H959 WeakPolarHBondContact CG1-CE1 3.36Å; V955-H959 VanDerWaalsContact O-CG 3.31Å; V955-H959 PolarHBondContact O-N 3.2Å; F956-H959 PolarHBondContact O-N 2.94Å; H959-C963 PolarHBondContact O-N 2.68Å
960	L	81.2	Confident	69.1	Low	95 Å²	95	89.2 Å²	89.2	50%	0.497	47%	0.466	S	S	.	.	H	α-helix	trans	-70.4	-39.1	177	-173	65.6	0	0	0	112.2	F956 S957 S958 N962	F956-L960 HydrophobicContact CE1-CD2 4.19Å; F956-L960 HydrophobicContact CZ-CD2 4.02Å; F956-L960 VanDerWaalsContact O-CB 3.23Å; F956-L960 WeakPolarHBondContact O-CB 3.3Å; F956-L960 PolarHBondContact O-N 2.9Å; S957-L960 PolarHBondContact O-N 3.29Å; S958-L960 VanDerWaalsContact C-N 3.28Å; S958-L960 PolarHBondContact O-N 3.5Å; L960-N962 VanDerWaalsContact C-N 3.32Å; L960-N962 PolarHBondContact O-N 3.01Å
961	S	70.5	Confident	66.3	Low	83 Å²	83	91.3 Å²	91.3	58%	0.58	48%	0.48	S	S	*	.	H	α-helix	trans	-67.6	-29.7	-179	61.1	0	0	0	0	114.1	S957 S958	S957-S961 WeakPolarHBondContact O-CB 3.28Å; S957-S961 PolarHBondContact O-N 3.29Å; S957-S961 PolarHBondContact O-OG 3.11Å; S958-S961 PolarHBondContact O-N 3.23Å; S958-S961 PolarHBondContact O-OG 3.28Å
962	N	61.2	Low	63.6	Low	79 Å²	79	97 Å²	97	42%	0.422	51%	0.505	S	S	.	.	H	α-helix	trans	-104.6	0.5	-175.7	-69	-29.6	0	0	0	113.6	E901 S958 L960	E901-N962 HydrophobicContact CB-CB 3.62Å; E901-N962 VanDerWaalsContact CD-ND2 3.26Å; E901-N962 PolarHBondContact OE2-ND2 3.44Å; S958-N962 PolarHBondContact O-N 3.48Å; L960-N962 VanDerWaalsContact C-N 3.32Å; L960-N962 PolarHBondContact O-N 3.01Å
963	C	57.3	Low	60.8	Low	26 Å²	26	102.5 Å²	102.5	18%	0.176	54%	0.538	C	S	.	.	S	Bend	trans	-71.3	133.3	167.7	-111.8	0	0	0	0	110.6	V907 H959 A965	V907-C963 HydrophobicContact CG2-CB 4.36Å; V907-C963 WeakPolarHBondContact CG2-SG 3.29Å; H959-C963 PolarHBondContact O-N 2.68Å; C963-A965 PolarHBondContact O-N 2.88Å
964	P	47.6	Very low	58.1	Low	97 Å²	97	104.5 Å²	104.5	63%	0.63	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-57.2	134	171.1	23.5	-30.9	0	0	0	108.9
965	A	48.5	Very low	55.8	Low	87 Å²	87	103 Å²	103	72%	0.719	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-47.1	135.9	172.7	0	0	0	0	0	108.7	C963 V967	C963-A965 PolarHBondContact O-N 2.88Å; A965-V967 PolarHBondContact O-N 3.47Å; A965-V967 VanDerWaalsContact O-N 3.08Å
966	P	49.4	Very low	53.9	Low	121 Å²	121	105.1 Å²	105.1	79%	0.786	58%	0.579	S	S	*	*	S	Bend	trans	-47.8	126.5	-177.8	18.9	-31.6	0	0	0	108.1	R968	P966-R968 PolarHBondContact O-N 3.43Å
967	V	37.3	Very low	52.2	Low	137 Å²	137	110 Å²	110	83%	0.83	61%	0.61	S	S	*	*			trans	-35.7	113.1	-173.9	176.4	0	0	0	0	108.2	A965 K969	A965-V967 PolarHBondContact O-N 3.47Å; A965-V967 VanDerWaalsContact O-N 3.08Å; V967-K969 PolarHBondContact O-N 2.87Å
968	R	36.2	Very low	51.2	Low	233 Å²	233	111.5 Å²	111.5	88%	0.879	61%	0.609	S	S	*	*			trans	-38.7	117.2	-179.7	-95	-175.6	175.1	179	-0.3	106.6	P966 K970	P966-R968 PolarHBondContact O-N 3.43Å; R968-K970 PolarHBondContact O-N 3.07Å
969	K	36.3	Very low	50.8	Low	176 Å²	176	111.7 Å²	111.7	77%	0.765	61%	0.606	S	S	*	*			trans	-37.3	110	175.6	-71.6	179.6	179.2	177.6	0	105.8	V967 K971	V967-K969 PolarHBondContact O-N 2.87Å; K969-K971 PolarHBondContact O-N 3.35Å
970	K	33	Very low	50.7	Low	195 Å²	195	114.4 Å²	114.4	85%	0.848	62%	0.624	S	S	*	*			trans	-46.2	121.1	170.9	-91.7	-177	176.6	175.9	0	104	R968 K972	R968-K970 PolarHBondContact O-N 3.07Å; K970-K972 PolarHBondContact O-N 2.94Å
971	K	33.3	Very low	50.7	Low	199 Å²	199	115.3 Å²	115.3	87%	0.865	62%	0.621	S	S	*	*			trans	-39.7	120	177.4	-104.6	-179.2	175.6	178.4	0	105.4	K969 T973	K969-K971 PolarHBondContact O-N 3.35Å; K971-T973 VanDerWaalsContact C-N 3.34Å; K971-T973 PolarHBondContact O-N 3.47Å
972	K	35.1	Very low	51.2	Low	179 Å²	179	117.9 Å²	117.9	78%	0.778	62%	0.618	S	S	*	*			trans	-42.3	104.8	177.6	-71.2	-179.8	176	-177	0	106.3	K970 P974	K970-K972 PolarHBondContact O-N 2.94Å; K972-P974 WeakPolarHBondContact O-CD 3.36Å
973	T	33.5	Very low	52.4	Low	114 Å²	114	114.6 Å²	114.6	70%	0.699	60%	0.601	S	S	*	*			trans	-64.4	119	158.4	38.4	0	0	0	0	103	K971 T975	K971-T973 VanDerWaalsContact C-N 3.34Å; K971-T973 PolarHBondContact O-N 3.47Å; T973-T975 VanDerWaalsContact C-N 3.28Å; T973-T975 PolarHBondContact O-N 3.46Å
974	P	34.4	Very low	53.7	Low	113 Å²	113	114.4 Å²	114.4	73%	0.734	60%	0.599	S	S	*	*			trans	-67.1	96.2	-175.2	27.6	-30.8	0	0	0	106.9	K972 G976	K972-P974 WeakPolarHBondContact O-CD 3.36Å; P974-G976 PolarHBondContact O-N 2.86Å
975	T	41.6	Very low	55.7	Low	92 Å²	92	116 Å²	116	56%	0.564	60%	0.596	S	S	*	*	S	Bend	trans	-70.4	92.9	161.9	41.2	0	0	0	0	106.1	T973	T973-T975 VanDerWaalsContact C-N 3.28Å; T973-T975 PolarHBondContact O-N 3.46Å
976	G	48.5	Very low	57.5	Low	52 Å²	52	115.3 Å²	115.3	54%	0.536	58%	0.58	S	S	.	*	S	Bend	trans	79.4	136.8	177.8	0	0	0	0	0	114.4	P974 K978	P974-G976 PolarHBondContact O-N 2.86Å; G976-K978 VanDerWaalsContact C-N 3.32Å; G976-K978 PolarHBondContact O-N 3.32Å
977	V	53.2	Low	59.3	Low	124 Å²	124	109.6 Å²	109.6	75%	0.752	54%	0.542	S	S	*	.			trans	-69.1	90	168.2	-180	0	0	0	0	107.8	L979	V977-L979 PolarHBondContact O-N 2.99Å
978	K	66.1	Low	61.9	Low	94 Å²	94	106.6 Å²	106.6	41%	0.409	52%	0.516	S	S	.	.			trans	-72.8	115.3	174.7	-66.1	-172.7	-178.2	-177.1	0	109.3	S823 R825 G976 E1054	S823-K978 CarbonylContact O-C 3.5Å; S823-K978 WeakPolarHBondContact O-CA 3.46Å; R825-K978 HydrophobicContact CG-CB 3.93Å; G976-K978 VanDerWaalsContact C-N 3.32Å; G976-K978 PolarHBondContact O-N 3.32Å; K978-E1054 WeakPolarHBondContact CE-OE1 3.39Å; K978-E1054 IonicContact NZ-OE1 3.94Å; K978-E1054 PolarHBondContact NZ-OE1 2.95Å; K978-E1054 IonicContact NZ-OE2 2.78Å
979	L	78.4	Confident	64.5	Low	47 Å²	47	102 Å²	102	25%	0.246	50%	0.503	C	S	.	.	B	Isolated β-bridge	trans	-71.2	148	-179.1	-67.5	174.1	0	0	0	111.8	I820 S823 R825 V977 C983	I820-L979 HydrophobicContact CG2-CD1 4.22Å; S823-L979 PolarHBondContact O-N 3.3Å; R825-L979 PolarHBondContact N-O 3.4Å; V977-L979 PolarHBondContact O-N 2.99Å; L979-C983 HydrophobicContact CB-CB 4.09Å; L979-C983 HydrophobicContact CD1-CB 4.31Å
980	P	81.9	Confident	67	Low	59 Å²	59	96.3 Å²	96.3	38%	0.383	48%	0.481	S	S	.	.			trans	-56.5	153	170.8	-25.3	34.4	0	0	0	113.3	W982 C983	P980-W982 HydrophobicContact CB-CG 4.16Å; P980-W982 HydrophobicContact CG-CZ2 4.49Å; P980-W982 PolarHBondContact O-N 3.08Å; P980-C983 WeakPolarHBondContact O-CB 3.43Å; P980-C983 PolarHBondContact O-N 2.74Å; P980-C983 VanDerWaalsContact O-N 3.08Å
981	W	80.7	Confident	69.8	Low	114 Å²	114	87.3 Å²	87.3	43%	0.432	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-35.9	178.2	146.5	73	0	0	0	113.3	R827 C983 V984 F985	R827-W981 HydrophobicContact CB-CG 4.32Å; W981-C983 PolarHBondContact O-N 2.93Å; W981-V984 WeakPolarHBondContact O-CB 3.48Å; W981-V984 VanDerWaalsContact O-CG1 3.25Å; W981-V984 WeakPolarHBondContact O-CG1 3.42Å; W981-V984 PolarHBondContact O-N 2.92Å; W981-V984 VanDerWaalsContact O-N 3.14Å; W981-F985 HydrophobicContact CZ2-CE2 4.14Å; W981-F985 HydrophobicContact CZ2-CZ 4.34Å
982	W	82.6	Confident	72.5	Confident	138 Å²	138	83.6 Å²	83.6	52%	0.523	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-18.7	-178.9	66.1	-100.9	0	0	0	113.6	P980 V984 F985 I986	P980-W982 HydrophobicContact CB-CG 4.16Å; P980-W982 HydrophobicContact CG-CZ2 4.49Å; P980-W982 PolarHBondContact O-N 3.08Å; W982-V984 PolarHBondContact O-N 3.26Å; W982-F985 HydrophobicContact CB-CD2 4.3Å; W982-F985 VanDerWaalsContact O-CD2 3.23Å; W982-F985 WeakPolarHBondContact O-CD2 3.37Å; W982-F985 PolarHBondContact O-N 3.4Å; W982-I986 HydrophobicContact CE3-CD1 4.04Å; W982-I986 HydrophobicContact CH2-CD1 3.91Å; W982-I986 HydrophobicContact CZ3-CD1 3.28Å; W982-I986 HydrophobicContact CZ3-CG1 4.09Å
983	C	84.9	Confident	75.1	Confident	10 Å²	10	77 Å²	77	7%	0.068	41%	0.407	C	S	.	.	H	α-helix	trans	-62.6	-12.5	173.3	-64.5	0	0	0	0	113	I824 L979 P980 W981 F985 I986 G987	I824-C983 HydrophobicContact CG1-CB 4.36Å; L979-C983 HydrophobicContact CB-CB 4.09Å; L979-C983 HydrophobicContact CD1-CB 4.31Å; P980-C983 WeakPolarHBondContact O-CB 3.43Å; P980-C983 PolarHBondContact O-N 2.74Å; P980-C983 VanDerWaalsContact O-N 3.08Å; W981-C983 PolarHBondContact O-N 2.93Å; C983-F985 PolarHBondContact O-N 3.43Å; C983-I986 PolarHBondContact O-N 3.03Å; C983-G987 PolarHBondContact O-N 3.01Å
984	V	85.6	Confident	77.8	Confident	22 Å²	22	73.3 Å²	73.3	13%	0.133	38%	0.383	C	S	.	.	H	α-helix	trans	-57.4	-36.2	169	79.1	0	0	0	0	112.1	F821 I824 W981 W982 G987 W988	F821-V984 HydrophobicContact CE1-CG2 4.31Å; I824-V984 HydrophobicContact CD1-CB 3.89Å; I824-V984 HydrophobicContact CD1-CG2 4.12Å; W981-V984 WeakPolarHBondContact O-CB 3.48Å; W981-V984 VanDerWaalsContact O-CG1 3.25Å; W981-V984 WeakPolarHBondContact O-CG1 3.42Å; W981-V984 PolarHBondContact O-N 2.92Å; W981-V984 VanDerWaalsContact O-N 3.14Å; W982-V984 PolarHBondContact O-N 3.26Å; V984-G987 PolarHBondContact O-N 2.99Å; V984-W988 PolarHBondContact O-N 2.9Å
985	F	88.4	Confident	80.6	Confident	130 Å²	130	68.7 Å²	68.7	57%	0.57	35%	0.353	S	S	*	.	H	α-helix	trans	-69.2	-38.9	178.5	-60.7	-66.5	0	0	0	111.5	W981 W982 C983 W988 F989	W981-F985 HydrophobicContact CZ2-CE2 4.14Å; W981-F985 HydrophobicContact CZ2-CZ 4.34Å; W982-F985 HydrophobicContact CB-CD2 4.3Å; W982-F985 VanDerWaalsContact O-CD2 3.23Å; W982-F985 WeakPolarHBondContact O-CD2 3.37Å; W982-F985 PolarHBondContact O-N 3.4Å; C983-F985 PolarHBondContact O-N 3.43Å; F985-W988 PolarHBondContact O-N 2.96Å; F985-F989 WeakPolarHBondContact O-CB 3.5Å; F985-F989 PolarHBondContact O-N 3.4Å
986	I	87.2	Confident	83	Confident	73 Å²	73	66.1 Å²	66.1	37%	0.374	35%	0.345	S	S	.	.	H	α-helix	trans	-62	-46.5	173.6	-62.6	167.5	0	0	0	110.1	W982 C983 W988 F989 L990	W982-I986 HydrophobicContact CE3-CD1 4.04Å; W982-I986 HydrophobicContact CH2-CD1 3.91Å; W982-I986 HydrophobicContact CZ3-CD1 3.28Å; W982-I986 HydrophobicContact CZ3-CG1 4.09Å; C983-I986 PolarHBondContact O-N 3.03Å; I986-W988 VanDerWaalsContact C-N 3.35Å; I986-W988 PolarHBondContact O-N 3.07Å; I986-F989 PolarHBondContact O-N 3.27Å; I986-L990 HydrophobicContact CG2-CD1 3.98Å; I986-L990 HydrophobicContact CG2-CG 4.39Å; I986-L990 WeakPolarHBondContact O-CG 2.95Å; I986-L990 PolarHBondContact O-N 3.43Å
987	G	87.5	Confident	85	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-57.6	-46	178.5	0	0	0	0	0	112.4	F821 C983 V984 L991	F821-G987 VanDerWaalsContact CZ-C 3.41Å; C983-G987 PolarHBondContact O-N 3.01Å; V984-G987 PolarHBondContact O-N 2.99Å; G987-L991 WeakPolarHBondContact O-CB 3.25Å; G987-L991 PolarHBondContact O-N 3.27Å
988	W	91.2	Very high	86.8	Confident	75 Å²	75	63 Å²	63	28%	0.284	31%	0.311	S	S	.	.	H	α-helix	trans	-67.2	-39.5	176.4	-77.8	116.6	0	0	0	113.3	Q756 S759 F821 V984 F985 I986 L991 L992	Q756-W988 HydrophobicContact CG-CZ2 3.79Å; S759-W988 VanDerWaalsContact OG-CH2 3.22Å; S759-W988 WeakPolarHBondContact OG-CH2 3.4Å; S759-W988 VanDerWaalsContact OG-CZ3 3.25Å; S759-W988 WeakPolarHBondContact OG-CZ3 3.26Å; F821-W988 HydrophobicContact CZ-CD2 4.41Å; F821-W988 HydrophobicContact CZ-CG 4.44Å; V984-W988 PolarHBondContact O-N 2.9Å; F985-W988 PolarHBondContact O-N 2.96Å; I986-W988 VanDerWaalsContact C-N 3.35Å; I986-W988 PolarHBondContact O-N 3.07Å; W988-L991 HydrophobicContact CE3-CD1 4.2Å; W988-L991 HydrophobicContact CZ3-CD1 4.31Å; W988-L991 WeakPolarHBondContact O-CB 3.45Å; W988-L991 PolarHBondContact O-N 2.85Å; W988-L992 WeakPolarHBondContact O-CB 3.38Å; W988-L992 WeakPolarHBondContact O-CG 3.41Å; W988-L992 PolarHBondContact O-N 2.79Å
989	F	91.1	Very high	88	Confident	137 Å²	137	59.4 Å²	59.4	60%	0.601	30%	0.298	S	S	*	.	H	α-helix	trans	-61.9	-46	176.7	176.2	-97.1	0	0	0	111.8	F985 I986 L991 L992 S993	F985-F989 WeakPolarHBondContact O-CB 3.5Å; F985-F989 PolarHBondContact O-N 3.4Å; I986-F989 PolarHBondContact O-N 3.27Å; F989-L991 VanDerWaalsContact C-N 3.33Å; F989-L991 PolarHBondContact O-N 3.09Å; F989-L992 PolarHBondContact O-N 3.46Å; F989-S993 VanDerWaalsContact O-CB 3.31Å; F989-S993 WeakPolarHBondContact O-CB 3.37Å; F989-S993 PolarHBondContact O-N 2.83Å; F989-S993 PolarHBondContact O-OG 3.18Å
990	L	88.9	Confident	88.4	Confident	56 Å²	56	61.3 Å²	61.3	29%	0.293	30%	0.302	S	S	.	.	H	α-helix	trans	-60.3	-45.2	175	-74.7	170.5	0	0	0	111.1	I820 I986 L992 S993 I994	I820-L990 HydrophobicContact CD1-CD1 3.92Å; I986-L990 HydrophobicContact CG2-CD1 3.98Å; I986-L990 HydrophobicContact CG2-CG 4.39Å; I986-L990 WeakPolarHBondContact O-CG 2.95Å; I986-L990 PolarHBondContact O-N 3.43Å; L990-L992 PolarHBondContact O-N 2.96Å; L990-S993 PolarHBondContact O-N 3.47Å; L990-I994 VanDerWaalsContact O-CB 3.3Å; L990-I994 WeakPolarHBondContact O-CB 3.33Å; L990-I994 VanDerWaalsContact O-CG1 3.25Å; L990-I994 WeakPolarHBondContact O-CG1 3.35Å; L990-I994 PolarHBondContact O-N 2.99Å
991	L	90.9	Very high	88.6	Confident	5 Å²	5	62.7 Å²	62.7	3%	0.026	30%	0.302	C	S	.	.	H	α-helix	trans	-57.8	-48.1	178.3	-113.6	172.1	0	0	0	112.6	S759 I817 F821 G987 W988 F989 S995	S759-L991 VanDerWaalsContact O-CD2 3.23Å; S759-L991 WeakPolarHBondContact O-CD2 3.23Å; I817-L991 HydrophobicContact CG2-CG 4.31Å; F821-L991 HydrophobicContact CE2-CD1 3.55Å; F821-L991 HydrophobicContact CE2-CG 4.4Å; F821-L991 HydrophobicContact CZ-CD1 3.85Å; G987-L991 WeakPolarHBondContact O-CB 3.25Å; G987-L991 PolarHBondContact O-N 3.27Å; W988-L991 HydrophobicContact CE3-CD1 4.2Å; W988-L991 HydrophobicContact CZ3-CD1 4.31Å; W988-L991 WeakPolarHBondContact O-CB 3.45Å; W988-L991 PolarHBondContact O-N 2.85Å; F989-L991 VanDerWaalsContact C-N 3.33Å; F989-L991 PolarHBondContact O-N 3.09Å; L991-S995 VanDerWaalsContact O-CB 3.28Å; L991-S995 WeakPolarHBondContact O-CB 3.38Å; L991-S995 PolarHBondContact O-N 3.2Å; L991-S995 PolarHBondContact O-OG 2.87Å
992	L	91.2	Very high	88.9	Confident	122 Å²	122	57.2 Å²	57.2	64%	0.639	28%	0.281	S	S	*	.	H	α-helix	trans	-67.8	-43.6	179.7	-74.5	168.4	0	0	0	111.7	W988 F989 L990 S995 G996	W988-L992 WeakPolarHBondContact O-CB 3.38Å; W988-L992 WeakPolarHBondContact O-CG 3.41Å; W988-L992 PolarHBondContact O-N 2.79Å; F989-L992 PolarHBondContact O-N 3.46Å; L990-L992 PolarHBondContact O-N 2.96Å; L992-S995 PolarHBondContact O-N 2.95Å; L992-G996 PolarHBondContact O-N 3.32Å
993	S	90.1	Very high	89.1	Confident	40 Å²	40	51.7 Å²	51.7	28%	0.28	26%	0.262	S	S	.	.	H	α-helix	trans	-62.9	-48.7	-179.7	-58.4	0	0	0	0	111.3	F989 L990 G996 I997	F989-S993 VanDerWaalsContact O-CB 3.31Å; F989-S993 WeakPolarHBondContact O-CB 3.37Å; F989-S993 PolarHBondContact O-N 2.83Å; F989-S993 PolarHBondContact O-OG 3.18Å; L990-S993 PolarHBondContact O-N 3.47Å; S993-G996 PolarHBondContact O-N 3.24Å; S993-I997 WeakPolarHBondContact O-CB 3.22Å; S993-I997 WeakPolarHBondContact O-CD1 3.43Å; S993-I997 VanDerWaalsContact O-CG1 3.28Å; S993-I997 WeakPolarHBondContact O-CG1 3.35Å; S993-I997 PolarHBondContact O-N 3.33Å
994	I	90	Very high	88.9	Confident	37 Å²	37	51.9 Å²	51.9	19%	0.19	26%	0.262	C	S	.	.	H	α-helix	trans	-62.6	-46.5	179.1	-71.1	168.8	0	0	0	110.5	C767 I813 I817 L990 G996 I997 S998	C767-I994 WeakPolarHBondContact SG-CG2 3.37Å; I813-I994 HydrophobicContact CG2-CD1 3.93Å; I817-I994 HydrophobicContact CD1-CD1 3.68Å; L990-I994 VanDerWaalsContact O-CB 3.3Å; L990-I994 WeakPolarHBondContact O-CB 3.33Å; L990-I994 VanDerWaalsContact O-CG1 3.25Å; L990-I994 WeakPolarHBondContact O-CG1 3.35Å; L990-I994 PolarHBondContact O-N 2.99Å; I994-G996 VanDerWaalsContact C-N 3.32Å; I994-G996 PolarHBondContact O-N 3.29Å; I994-I997 PolarHBondContact O-N 3.42Å; I994-S998 WeakPolarHBondContact O-CB 3.36Å; I994-S998 PolarHBondContact O-N 3.2Å; I994-S998 PolarHBondContact O-OG 3.27Å; I994-S998 VanDerWaalsContact O-OG 3.09Å
995	S	92.2	Very high	88.6	Confident	15 Å²	15	53.6 Å²	53.6	11%	0.105	27%	0.266	C	S	.	.	H	α-helix	trans	-61.7	-40.2	177.9	-58.8	0	0	0	0	112.2	S763 L991 L992 T999	S763-S995 WeakPolarHBondContact CB-OG 3.45Å; L991-S995 VanDerWaalsContact O-CB 3.28Å; L991-S995 WeakPolarHBondContact O-CB 3.38Å; L991-S995 PolarHBondContact O-N 3.2Å; L991-S995 PolarHBondContact O-OG 2.87Å; L992-S995 PolarHBondContact O-N 2.95Å; S995-T999 WeakPolarHBondContact O-CB 3.35Å; S995-T999 PolarHBondContact O-N 3.24Å; S995-T999 PolarHBondContact O-OG1 2.93Å
996	G	91.9	Very high	88.1	Confident	38 Å²	38	47.4 Å²	47.4	39%	0.392	24%	0.239	S	C	.	.	H	α-helix	trans	-65.4	-48.7	177.5	0	0	0	0	0	112.5	L992 S993 I994 S998 T999 Y1000	L992-G996 PolarHBondContact O-N 3.32Å; S993-G996 PolarHBondContact O-N 3.24Å; I994-G996 VanDerWaalsContact C-N 3.32Å; I994-G996 PolarHBondContact O-N 3.29Å; G996-S998 PolarHBondContact O-N 3.03Å; G996-T999 PolarHBondContact O-N 3.47Å; G996-Y1000 WeakPolarHBondContact O-CB 3.43Å; G996-Y1000 PolarHBondContact O-N 3.29Å
997	I	90.3	Very high	87.7	Confident	98 Å²	98	44.5 Å²	44.5	50%	0.503	22%	0.224	S	C	.	.	H	α-helix	trans	-60.1	-47.8	177.2	-69.3	161.5	0	0	0	110.6	S993 I994 T999 Y1000 F1001	S993-I997 WeakPolarHBondContact O-CB 3.22Å; S993-I997 WeakPolarHBondContact O-CD1 3.43Å; S993-I997 VanDerWaalsContact O-CG1 3.28Å; S993-I997 WeakPolarHBondContact O-CG1 3.35Å; S993-I997 PolarHBondContact O-N 3.33Å; I994-I997 PolarHBondContact O-N 3.42Å; I997-T999 VanDerWaalsContact C-N 3.34Å; I997-T999 PolarHBondContact O-N 3.42Å; I997-Y1000 PolarHBondContact O-N 3.45Å; I997-F1001 HydrophobicContact CG2-CD2 3.69Å; I997-F1001 HydrophobicContact CG2-CE2 3.73Å; I997-F1001 VanDerWaalsContact O-CD2 3.3Å; I997-F1001 WeakPolarHBondContact O-CD2 3.37Å; I997-F1001 PolarHBondContact O-N 2.91Å
998	S	91.2	Very high	87	Confident	12 Å²	12	49.2 Å²	49.2	8%	0.084	25%	0.246	C	C	.	.	H	α-helix	trans	-62.6	-40.6	179.1	-65.4	0	0	0	0	112.5	C767 I994 G996 T1002	C767-S998 WeakPolarHBondContact CA-OG 3.47Å; C767-S998 PolarHBondContact SG-OG 3.45Å; I994-S998 WeakPolarHBondContact O-CB 3.36Å; I994-S998 PolarHBondContact O-N 3.2Å; I994-S998 PolarHBondContact O-OG 3.27Å; I994-S998 VanDerWaalsContact O-OG 3.09Å; G996-S998 PolarHBondContact O-N 3.03Å; S998-T1002 VanDerWaalsContact O-CB 3.31Å; S998-T1002 WeakPolarHBondContact O-CB 3.49Å; S998-T1002 PolarHBondContact O-N 2.89Å; S998-T1002 PolarHBondContact O-OG1 3.18Å
999	T	91.3	Very high	86	Confident	20 Å²	20	46.6 Å²	46.6	12%	0.123	24%	0.236	C	C	.	.	H	α-helix	trans	-64.1	-43.7	176.9	-58.9	0	0	0	0	111.4	L556 Y560 S995 G996 I997 T1002 L1003	L556-T999 HydrophobicContact CD1-CG2 4.12Å; L556-T999 HydrophobicContact CD2-CG2 4.34Å; Y560-T999 HydrophobicContact CE2-CG2 4.16Å; Y560-T999 PolarHBondContact OH-OG1 3.06Å; S995-T999 WeakPolarHBondContact O-CB 3.35Å; S995-T999 PolarHBondContact O-N 3.24Å; S995-T999 PolarHBondContact O-OG1 2.93Å; G996-T999 PolarHBondContact O-N 3.47Å; I997-T999 VanDerWaalsContact C-N 3.34Å; I997-T999 PolarHBondContact O-N 3.42Å; T999-T1002 PolarHBondContact O-N 3.09Å; T999-L1003 HydrophobicContact CG2-CD1 4.13Å; T999-L1003 WeakPolarHBondContact O-CG 3.44Å; T999-L1003 PolarHBondContact O-N 2.92Å
1000	Y	88.3	Confident	85	Confident	87 Å²	87	41.5 Å²	41.5	34%	0.341	22%	0.223	S	C	.	.	H	α-helix	trans	-57.9	-52.9	177	173.9	-98.6	0	0	0	111.9	V536 G996 I997 T1002 L1003 L1004	V536-Y1000 WeakPolarHBondContact CG1-OH 3.33Å; G996-Y1000 WeakPolarHBondContact O-CB 3.43Å; G996-Y1000 PolarHBondContact O-N 3.29Å; I997-Y1000 PolarHBondContact O-N 3.45Å; Y1000-T1002 PolarHBondContact O-N 3.31Å; Y1000-L1003 PolarHBondContact O-N 3.41Å; Y1000-L1004 HydrophobicContact CE1-CD1 3.96Å; Y1000-L1004 WeakPolarHBondContact O-CB 3.28Å; Y1000-L1004 PolarHBondContact O-N 2.72Å
1001	F	85.4	Confident	84.4	Confident	87 Å²	87	43.5 Å²	43.5	38%	0.382	23%	0.229	S	C	.	.	H	α-helix	trans	-66.1	-37.1	179.7	-79	-69.5	0	0	0	112.6	I997 L1003 L1004 Y1005	I997-F1001 HydrophobicContact CG2-CD2 3.69Å; I997-F1001 HydrophobicContact CG2-CE2 3.73Å; I997-F1001 VanDerWaalsContact O-CD2 3.3Å; I997-F1001 WeakPolarHBondContact O-CD2 3.37Å; I997-F1001 PolarHBondContact O-N 2.91Å; F1001-L1003 VanDerWaalsContact C-N 3.33Å; F1001-L1003 PolarHBondContact O-N 3.29Å; F1001-L1004 PolarHBondContact O-N 3.49Å; F1001-Y1005 HydrophobicContact CB-CD2 4.43Å; F1001-Y1005 HydrophobicContact CB-CE2 4.33Å; F1001-Y1005 HydrophobicContact CD1-CE2 4.12Å; F1001-Y1005 WeakPolarHBondContact O-CD2 3.32Å; F1001-Y1005 PolarHBondContact O-N 2.93Å
1002	T	87.6	Confident	83.6	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.4	-41.2	176.8	-54.5	0	0	0	0	111.7	V552 M769 A770 I773 S998 T999 Y1000 G1006 W1017	V552-T1002 HydrophobicContact CG1-CG2 3.91Å; M769-T1002 HydrophobicContact CB-CG2 4.26Å; M769-T1002 HydrophobicContact CE-CG2 4.26Å; A770-T1002 VanDerWaalsContact CA-OG1 3.27Å; A770-T1002 WeakPolarHBondContact CA-OG1 3.38Å; A770-T1002 WeakPolarHBondContact CB-OG1 3.38Å; A770-T1002 PolarHBondContact N-OG1 3.24Å; I773-T1002 HydrophobicContact CD1-CG2 4.47Å; I773-T1002 HydrophobicContact CG2-CG2 4.46Å; S998-T1002 VanDerWaalsContact O-CB 3.31Å; S998-T1002 WeakPolarHBondContact O-CB 3.49Å; S998-T1002 PolarHBondContact O-N 2.89Å; S998-T1002 PolarHBondContact O-OG1 3.18Å; T999-T1002 PolarHBondContact O-N 3.09Å; Y1000-T1002 PolarHBondContact O-N 3.31Å; T1002-G1006 WeakPolarHBondContact O-CA 3.46Å; T1002-G1006 PolarHBondContact O-N 3.29Å; T1002-W1017 HydrophobicContact CG2-CH2 3.95Å; T1002-W1017 HydrophobicContact CG2-CZ2 4.34Å
1003	L	86	Confident	82.7	Confident	22 Å²	22	50.2 Å²	50.2	12%	0.115	26%	0.255	C	S	.	.	H	α-helix	trans	-66.1	-45.2	175	-74.5	169.8	0	0	0	111.7	L553 L556 T999 Y1000 F1001 G1006 F1007	L553-L1003 HydrophobicContact CB-CD2 4.43Å; L553-L1003 HydrophobicContact CD1-CD2 4.15Å; L556-L1003 HydrophobicContact CD1-CD1 4.28Å; L556-L1003 HydrophobicContact CD1-CD2 3.49Å; L556-L1003 VanDerWaalsContact CD1-CD2 3.49Å; L556-L1003 HydrophobicContact CD1-CG 3.57Å; T999-L1003 HydrophobicContact CG2-CD1 4.13Å; T999-L1003 WeakPolarHBondContact O-CG 3.44Å; T999-L1003 PolarHBondContact O-N 2.92Å; Y1000-L1003 PolarHBondContact O-N 3.41Å; F1001-L1003 VanDerWaalsContact C-N 3.33Å; F1001-L1003 PolarHBondContact O-N 3.29Å; L1003-G1006 PolarHBondContact O-N 3.28Å; L1003-F1007 HydrophobicContact CB-CD2 4.44Å; L1003-F1007 HydrophobicContact CB-CE2 3.93Å; L1003-F1007 HydrophobicContact CD2-CE1 4.5Å; L1003-F1007 HydrophobicContact CD2-CE2 3.94Å; L1003-F1007 HydrophobicContact CD2-CZ 3.67Å; L1003-F1007 HydrophobicContact CG-CE2 4.47Å; L1003-F1007 WeakPolarHBondContact O-CD2 3.43Å; L1003-F1007 WeakPolarHBondContact O-CG 3.31Å; L1003-F1007 PolarHBondContact O-N 3.32Å
1004	L	81.5	Confident	82.2	Confident	13 Å²	13	48.4 Å²	48.4	7%	0.068	24%	0.242	C	C	.	.	H	α-helix	trans	-60.1	-48.5	-178.3	179.6	152.2	0	0	0	112.1	V534 Y1000 F1001	V534-L1004 HydrophobicContact CG1-CD2 3.84Å; Y1000-L1004 HydrophobicContact CE1-CD1 3.96Å; Y1000-L1004 WeakPolarHBondContact O-CB 3.28Å; Y1000-L1004 PolarHBondContact O-N 2.72Å; F1001-L1004 PolarHBondContact O-N 3.49Å
1005	Y	78.7	Confident	81.7	Confident	58 Å²	58	50.4 Å²	50.4	23%	0.227	25%	0.252	C	S	.	.	H	α-helix	trans	-69.5	-36.3	173.8	-69.4	-64.5	0	0	0	112.3	I773 A774 F1001 F1007 Q1008 Y1009	I773-Y1005 HydrophobicContact CG2-CD2 4.06Å; I773-Y1005 HydrophobicContact CG2-CG 4.36Å; A774-Y1005 HydrophobicContact CB-CD2 4.42Å; A774-Y1005 HydrophobicContact CB-CE2 4Å; F1001-Y1005 HydrophobicContact CB-CD2 4.43Å; F1001-Y1005 HydrophobicContact CB-CE2 4.33Å; F1001-Y1005 HydrophobicContact CD1-CE2 4.12Å; F1001-Y1005 WeakPolarHBondContact O-CD2 3.32Å; F1001-Y1005 PolarHBondContact O-N 2.93Å; Y1005-F1007 PolarHBondContact O-N 3.14Å; Y1005-Q1008 PolarHBondContact O-N 2.78Å; Y1005-Y1009 PolarHBondContact O-N 3.26Å
1006	G	78.5	Confident	80.9	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59.4	-44.9	179.5	0	0	0	0	0	113.3	N549 T1002 L1003 Q1008 Y1009 S1014	N549-G1006 PolarHBondContact ND2-O 3.31Å; T1002-G1006 WeakPolarHBondContact O-CA 3.46Å; T1002-G1006 PolarHBondContact O-N 3.29Å; L1003-G1006 PolarHBondContact O-N 3.28Å; G1006-Q1008 VanDerWaalsContact C-N 3.31Å; G1006-Q1008 PolarHBondContact O-N 3.21Å; G1006-Y1009 PolarHBondContact O-N 3.14Å; G1006-S1014 PolarHBondContact O-OG 2.69Å
1007	F	77.3	Confident	80.4	Confident	13 Å²	13	54.5 Å²	54.5	6%	0.057	26%	0.258	C	S	.	.	H	α-helix	trans	-71	-26.4	178.8	-62.1	-41.3	0	0	0	113.1	L542 F543 V546 L1003 Y1005	L542-F1007 HydrophobicContact CB-CB 4.43Å; L542-F1007 HydrophobicContact CD2-CB 4.02Å; F543-F1007 HydrophobicContact CD1-CD2 4.29Å; F543-F1007 AromaticContact CD1-CE2 3.58Å; F543-F1007 HydrophobicContact CD1-CE2 3.58Å; F543-F1007 HydrophobicContact CD1-CZ 4.32Å; F543-F1007 HydrophobicContact CE1-CD2 4.33Å; F543-F1007 AromaticContact CE1-CE2 3.5Å; F543-F1007 HydrophobicContact CE1-CE2 3.5Å; F543-F1007 VanDerWaalsContact CE1-CE2 3.5Å; F543-F1007 HydrophobicContact CE1-CZ 4.35Å; F543-F1007 HydrophobicContact CG-CE2 4.47Å; F543-F1007 HydrophobicContact CZ-CE2 4.31Å; V546-F1007 HydrophobicContact CG2-CD1 4.47Å; V546-F1007 HydrophobicContact CG2-CE1 3.75Å; V546-F1007 HydrophobicContact CG2-CE2 4.16Å; V546-F1007 HydrophobicContact CG2-CZ 3.56Å; L1003-F1007 HydrophobicContact CB-CD2 4.44Å; L1003-F1007 HydrophobicContact CB-CE2 3.93Å; L1003-F1007 HydrophobicContact CD2-CE1 4.5Å; L1003-F1007 HydrophobicContact CD2-CE2 3.94Å; L1003-F1007 HydrophobicContact CD2-CZ 3.67Å; L1003-F1007 HydrophobicContact CG-CE2 4.47Å; L1003-F1007 WeakPolarHBondContact O-CD2 3.43Å; L1003-F1007 WeakPolarHBondContact O-CG 3.31Å; L1003-F1007 PolarHBondContact O-N 3.32Å; Y1005-F1007 PolarHBondContact O-N 3.14Å
1008	Q	73.1	Confident	80	Confident	99 Å²	99	51.7 Å²	51.7	46%	0.463	25%	0.245	S	C	.	.	H	α-helix	trans	-71	-30.7	177	-167.4	177.9	5.2	0	0	113.4	Y1005 G1006	Y1005-Q1008 PolarHBondContact O-N 2.78Å; G1006-Q1008 VanDerWaalsContact C-N 3.31Å; G1006-Q1008 PolarHBondContact O-N 3.21Å
1009	Y	70.4	Confident	79.2	Confident	20 Å²	20	55.1 Å²	55.1	8%	0.078	26%	0.261	C	S	.	.	H	α-helix	trans	-86.3	-11.9	-168.8	-66.6	-13.3	0	0	0	115.4	I773 W776 N777 Y1005 G1006 K1013	I773-Y1009 HydrophobicContact CG1-CD2 4.13Å; I773-Y1009 HydrophobicContact CG1-CE2 3.78Å; I773-Y1009 WeakPolarHBondContact O-CE2 3.4Å; I773-Y1009 PolarHBondContact O-OH 3.13Å; W776-Y1009 HydrophobicContact CB-CE2 4.36Å; N777-Y1009 VanDerWaalsContact ND2-CE1 3.28Å; N777-Y1009 WeakPolarHBondContact ND2-CE1 3.33Å; N777-Y1009 PolarHBondContact ND2-OH 3.09Å; Y1005-Y1009 PolarHBondContact O-N 3.26Å; G1006-Y1009 PolarHBondContact O-N 3.14Å; Y1009-K1013 WeakPolarHBondContact O-CB 3.37Å; Y1009-K1013 WeakPolarHBondContact O-CD 3.37Å
1010	G	70.1	Confident	78.4	Confident	30 Å²	30	54.4 Å²	54.4	31%	0.309	26%	0.256	S	S	.	.	H	α-helix	trans	67.2	165.3	-175.6	0	0	0	0	0	113.8	N549 E1012 K1013 S1014	N549-G1010 WeakPolarHBondContact ND2-CA 3.34Å; N549-G1010 PolarHBondContact ND2-N 3.01Å; N549-G1010 PolarHBondContact ND2-O 2.7Å; G1010-E1012 PolarHBondContact O-N 3.11Å; G1010-K1013 PolarHBondContact O-N 2.83Å; G1010-S1014 PolarHBondContact O-N 3.22Å; G1010-S1014 VanDerWaalsContact O-N 3.1Å; G1010-S1014 PolarHBondContact O-OG 2.98Å; G1010-S1014 VanDerWaalsContact O-OG 3.04Å
1011	K	76.8	Confident	78	Confident	97 Å²	97	50.4 Å²	50.4	42%	0.422	24%	0.241	S	C	.	.	H	α-helix	trans	-57.3	-45.6	-166.4	-175.4	179.8	178.7	-178.5	0	114.7	V551 S1014 I1015	V551-K1011 HydrophobicContact CG2-CG 4.01Å; K1011-S1014 PolarHBondContact O-N 3.49Å; K1011-I1015 HydrophobicContact CG-CD1 4.05Å; K1011-I1015 VanDerWaalsContact O-CG1 3.32Å; K1011-I1015 WeakPolarHBondContact O-CG1 3.24Å; K1011-I1015 PolarHBondContact O-N 3Å
1012	E	73.4	Confident	77.6	Confident	157 Å²	157	48.2 Å²	48.2	73%	0.734	24%	0.243	S	C	*	.	H	α-helix	trans	-68.2	-42.4	-174.3	-68.2	-169.2	168.2	0	0	113.1	G1010 I1015 K1016	G1010-E1012 PolarHBondContact O-N 3.11Å; E1012-I1015 PolarHBondContact O-N 2.89Å; E1012-K1016 PolarHBondContact O-N 3.06Å
1013	K	73	Confident	76.9	Confident	112 Å²	112	52.3 Å²	52.3	49%	0.487	26%	0.264	S	S	.	.	H	α-helix	trans	-68.5	-38.8	176.2	-66.5	-173.9	178.8	-178.8	0	110.9	Y1009 G1010 I1015 K1016 W1017	Y1009-K1013 WeakPolarHBondContact O-CB 3.37Å; Y1009-K1013 WeakPolarHBondContact O-CD 3.37Å; G1010-K1013 PolarHBondContact O-N 2.83Å; K1013-I1015 VanDerWaalsContact C-N 3.31Å; K1013-I1015 PolarHBondContact O-N 2.96Å; K1013-K1016 PolarHBondContact O-N 3.27Å; K1013-W1017 WeakPolarHBondContact O-CB 3.3Å; K1013-W1017 PolarHBondContact O-N 3.38Å
1014	S	79.9	Confident	76.3	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.007	26%	0.263	C	S	.	.	H	α-helix	trans	-59.6	-39.8	174	-61.7	0	0	0	0	112.2	N549 G1006 G1010 K1011 W1017 V1018	N549-S1014 PolarHBondContact ND2-OG 3.18Å; G1006-S1014 PolarHBondContact O-OG 2.69Å; G1010-S1014 PolarHBondContact O-N 3.22Å; G1010-S1014 VanDerWaalsContact O-N 3.1Å; G1010-S1014 PolarHBondContact O-OG 2.98Å; G1010-S1014 VanDerWaalsContact O-OG 3.04Å; K1011-S1014 PolarHBondContact O-N 3.49Å; S1014-W1017 PolarHBondContact O-N 3.15Å; S1014-V1018 WeakPolarHBondContact O-CG2 3.33Å; S1014-V1018 PolarHBondContact O-N 3.4Å
1015	I	79.9	Confident	76.1	Confident	79 Å²	79	52.5 Å²	52.5	41%	0.405	27%	0.266	S	S	.	.	H	α-helix	trans	-63.6	-45.3	176.4	-69.6	165.4	0	0	0	111.5	V551 K1011 E1012 K1013 W1017 V1018 M1019	V551-I1015 HydrophobicContact CG1-CG1 4.28Å; V551-I1015 HydrophobicContact CG2-CG1 4.14Å; K1011-I1015 HydrophobicContact CG-CD1 4.05Å; K1011-I1015 VanDerWaalsContact O-CG1 3.32Å; K1011-I1015 WeakPolarHBondContact O-CG1 3.24Å; K1011-I1015 PolarHBondContact O-N 3Å; E1012-I1015 PolarHBondContact O-N 2.89Å; K1013-I1015 VanDerWaalsContact C-N 3.31Å; K1013-I1015 PolarHBondContact O-N 2.96Å; I1015-W1017 VanDerWaalsContact C-N 3.33Å; I1015-W1017 PolarHBondContact O-N 3.29Å; I1015-V1018 PolarHBondContact O-N 3.11Å; I1015-M1019 PolarHBondContact O-N 3.44Å
1016	K	73.5	Confident	76.2	Confident	139 Å²	139	55.4 Å²	55.4	60%	0.604	28%	0.281	S	S	*	.	H	α-helix	trans	-62.3	-41.7	177.6	-70.1	-178.6	179	179.6	0	111.8	W776 E1012 K1013 V1018 M1019 S1020	W776-K1016 HydrophobicContact CZ2-CB 4.13Å; E1012-K1016 PolarHBondContact O-N 3.06Å; K1013-K1016 PolarHBondContact O-N 3.27Å; K1016-V1018 PolarHBondContact O-N 3.31Å; K1016-M1019 WeakPolarHBondContact O-CB 3.23Å; K1016-M1019 PolarHBondContact O-N 3.09Å; K1016-S1020 PolarHBondContact O-N 3.36Å
1017	W	81.4	Confident	76	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.8	-44.6	174.9	169.1	75.3	0	0	0	112.5	V552 L555 M769 N772 I773 W776 T1002 K1013 S1014 I1015 M1019 S1020 L1021	V552-W1017 HydrophobicContact CG1-CZ3 4.32Å; V552-W1017 HydrophobicContact CG2-CE3 4.34Å; V552-W1017 HydrophobicContact CG2-CZ3 4.06Å; L555-W1017 HydrophobicContact CD2-CH2 4.36Å; L555-W1017 HydrophobicContact CD2-CZ3 4.05Å; M769-W1017 HydrophobicContact CB-CH2 4.33Å; M769-W1017 HydrophobicContact CB-CZ2 4.08Å; M769-W1017 HydrophobicContact CE-CH2 3.62Å; M769-W1017 HydrophobicContact CE-CZ2 4.46Å; M769-W1017 HydrophobicContact CE-CZ3 4.45Å; M769-W1017 HydrophobicContact CG-CH2 4.43Å; M769-W1017 HydrophobicContact CG-CZ2 4.39Å; N772-W1017 PolarHBondContact OD1-NE1 3.5Å; I773-W1017 HydrophobicContact CB-CD2 4.44Å; I773-W1017 HydrophobicContact CB-CZ2 3.88Å; I773-W1017 HydrophobicContact CD1-CD2 4.1Å; I773-W1017 HydrophobicContact CD1-CE3 4.36Å; I773-W1017 HydrophobicContact CD1-CH2 4.35Å; I773-W1017 HydrophobicContact CD1-CZ2 4.14Å; I773-W1017 HydrophobicContact CD1-CZ3 4.48Å; I773-W1017 HydrophobicContact CG1-CD2 4.19Å; I773-W1017 HydrophobicContact CG1-CG 4.32Å; I773-W1017 HydrophobicContact CG1-CZ2 4.34Å; W776-W1017 HydrophobicContact CD2-CB 4.33Å; T1002-W1017 HydrophobicContact CG2-CH2 3.95Å; T1002-W1017 HydrophobicContact CG2-CZ2 4.34Å; K1013-W1017 WeakPolarHBondContact O-CB 3.3Å; K1013-W1017 PolarHBondContact O-N 3.38Å; S1014-W1017 PolarHBondContact O-N 3.15Å; I1015-W1017 VanDerWaalsContact C-N 3.33Å; I1015-W1017 PolarHBondContact O-N 3.29Å; W1017-M1019 PolarHBondContact O-N 2.78Å; W1017-S1020 PolarHBondContact O-N 3.1Å; W1017-S1020 VanDerWaalsContact O-N 3.1Å; W1017-L1021 HydrophobicContact CH2-CD2 4.02Å; W1017-L1021 HydrophobicContact CZ2-CD2 4.18Å; W1017-L1021 PolarHBondContact O-N 3.26Å
1018	V	82.4	Confident	76	Confident	39 Å²	39	58.3 Å²	58.3	24%	0.236	30%	0.298	C	S	.	.	H	α-helix	trans	-58.2	-36.2	177.2	171.2	0	0	0	0	111.8	V551 L555 S1014 I1015 K1016 L1021 G1022	V551-V1018 HydrophobicContact CG1-CG2 4.03Å; L555-V1018 HydrophobicContact CD2-CG1 4.29Å; L555-V1018 HydrophobicContact CD2-CG2 3.83Å; S1014-V1018 WeakPolarHBondContact O-CG2 3.33Å; S1014-V1018 PolarHBondContact O-N 3.4Å; I1015-V1018 PolarHBondContact O-N 3.11Å; K1016-V1018 PolarHBondContact O-N 3.31Å; V1018-L1021 WeakPolarHBondContact O-CB 3.1Å; V1018-L1021 PolarHBondContact O-N 3.38Å; V1018-G1022 PolarHBondContact O-N 3.11Å
1019	M	74.9	Confident	76.4	Confident	85 Å²	85	55.4 Å²	55.4	42%	0.419	29%	0.285	S	S	.	.	H	α-helix	trans	-68.5	-40.3	177.5	-63.9	-56.5	-71.9	0	0	112.3	L793 I1015 K1016 W1017 G1022 L1023	L793-M1019 HydrophobicContact CD1-CB 4.47Å; L793-M1019 HydrophobicContact CD1-CE 3.34Å; L793-M1019 HydrophobicContact CD1-CG 4.1Å; L793-M1019 HydrophobicContact CD1-SD 4.47Å; L793-M1019 HydrophobicContact CD2-CB 4.21Å; L793-M1019 HydrophobicContact CD2-CE 3.88Å; L793-M1019 HydrophobicContact CG-CE 4.24Å; I1015-M1019 PolarHBondContact O-N 3.44Å; K1016-M1019 WeakPolarHBondContact O-CB 3.23Å; K1016-M1019 PolarHBondContact O-N 3.09Å; W1017-M1019 PolarHBondContact O-N 2.78Å; M1019-G1022 PolarHBondContact O-N 3.16Å; M1019-L1023 PolarHBondContact O-N 2.83Å
1020	S	73.8	Confident	77	Confident	4 Å²	4	60.4 Å²	60.4	3%	0.028	31%	0.308	C	S	.	.	H	α-helix	trans	-65.1	-40.2	173.1	177.6	0	0	0	0	112.2	W776 K1016 W1017 G1022 L1023 S1024	W776-S1020 WeakPolarHBondContact CZ3-OG 3.36Å; K1016-S1020 PolarHBondContact O-N 3.36Å; W1017-S1020 PolarHBondContact O-N 3.1Å; W1017-S1020 VanDerWaalsContact O-N 3.1Å; S1020-G1022 VanDerWaalsContact C-N 3.32Å; S1020-G1022 PolarHBondContact O-N 3.31Å; S1020-L1023 PolarHBondContact O-N 3.02Å; S1020-S1024 PolarHBondContact O-N 3.47Å; S1020-S1024 PolarHBondContact O-OG 3.26Å
1021	L	79.9	Confident	77.3	Confident	3 Å²	3	63.5 Å²	63.5	2%	0.016	32%	0.316	C	S	.	.	H	α-helix	trans	-57.7	-43.9	173.8	176.3	68.5	0	0	0	111.8	L555 F559 M769 W1017 V1018 L1023 S1024 L1025	L555-L1021 HydrophobicContact CD2-CD2 3.79Å; F559-L1021 HydrophobicContact CE2-CD2 4.47Å; M769-L1021 HydrophobicContact CB-CD1 4.31Å; M769-L1021 HydrophobicContact CE-CD2 3.93Å; M769-L1021 HydrophobicContact CG-CD1 3.47Å; M769-L1021 VanDerWaalsContact CG-CD1 3.47Å; M769-L1021 HydrophobicContact CG-CD2 3.53Å; M769-L1021 HydrophobicContact CG-CG 4.12Å; M769-L1021 HydrophobicContact SD-CD2 4.07Å; W1017-L1021 HydrophobicContact CH2-CD2 4.02Å; W1017-L1021 HydrophobicContact CZ2-CD2 4.18Å; W1017-L1021 PolarHBondContact O-N 3.26Å; V1018-L1021 WeakPolarHBondContact O-CB 3.1Å; V1018-L1021 PolarHBondContact O-N 3.38Å; L1021-L1023 VanDerWaalsContact C-N 3.27Å; L1021-L1023 PolarHBondContact O-N 2.77Å; L1021-S1024 PolarHBondContact O-N 3.45Å; L1021-S1024 PolarHBondContact O-OG 2.9Å; L1021-L1025 HydrophobicContact CD1-CD1 4.24Å; L1021-L1025 HydrophobicContact CD1-CG 4.29Å; L1021-L1025 HydrophobicContact CG-CD1 4.06Å; L1021-L1025 WeakPolarHBondContact O-CG 3.3Å; L1021-L1025 PolarHBondContact O-N 3.02Å
1022	G	77.5	Confident	77.2	Confident	42 Å²	42	62.2 Å²	62.2	43%	0.433	31%	0.314	S	S	.	.	H	α-helix	trans	-58.3	-38.7	177.8	0	0	0	0	0	113.2	V1018 M1019 S1020 F1026	V1018-G1022 PolarHBondContact O-N 3.11Å; M1019-G1022 PolarHBondContact O-N 3.16Å; S1020-G1022 VanDerWaalsContact C-N 3.32Å; S1020-G1022 PolarHBondContact O-N 3.31Å; G1022-F1026 PolarHBondContact O-N 3.46Å; G1022-F1026 VanDerWaalsContact O-N 3.13Å
1023	L	72.5	Confident	77.4	Confident	85 Å²	85	55.8 Å²	55.8	45%	0.445	28%	0.284	S	S	.	.	H	α-helix	trans	-73	-44.1	178.7	-72.4	164.5	0	0	0	112.5	M795 M1019 S1020 L1021 L1025 F1026 E1027	M795-L1023 HydrophobicContact CE-CD1 4.38Å; M795-L1023 HydrophobicContact CG-CD1 3.94Å; M795-L1023 HydrophobicContact SD-CD1 3.2Å; M795-L1023 WeakPolarHBondContact SD-CD1 3.49Å; M1019-L1023 PolarHBondContact O-N 2.83Å; S1020-L1023 PolarHBondContact O-N 3.02Å; L1021-L1023 VanDerWaalsContact C-N 3.27Å; L1021-L1023 PolarHBondContact O-N 2.77Å; L1023-L1025 VanDerWaalsContact C-N 3.28Å; L1023-L1025 PolarHBondContact O-N 2.97Å; L1023-F1026 WeakPolarHBondContact O-CB 3.44Å; L1023-F1026 PolarHBondContact O-N 2.98Å; L1023-F1026 VanDerWaalsContact O-N 3.09Å; L1023-E1027 PolarHBondContact O-N 3.49Å
1024	S	74	Confident	77.9	Confident	12 Å²	12	51.7 Å²	51.7	8%	0.084	27%	0.268	C	S	.	.	H	α-helix	trans	-62.4	-35.5	176.2	63	0	0	0	0	112.4	S1020 L1021 S1028	S1020-S1024 PolarHBondContact O-N 3.47Å; S1020-S1024 PolarHBondContact O-OG 3.26Å; L1021-S1024 PolarHBondContact O-N 3.45Å; L1021-S1024 PolarHBondContact O-OG 2.9Å; S1024-S1028 WeakPolarHBondContact O-CB 3.4Å; S1024-S1028 PolarHBondContact O-N 3.36Å
1025	L	77.3	Confident	78	Confident	27 Å²	27	57.3 Å²	57.3	14%	0.141	30%	0.298	C	S	.	.	H	α-helix	trans	-66.3	-40.2	172.3	-72.9	172.6	0	0	0	112.1	L765 L1021 L1023 S1028 I1029	L765-L1025 HydrophobicContact CD1-CD1 4.21Å; L765-L1025 HydrophobicContact CD1-CD2 4.29Å; L765-L1025 HydrophobicContact CG-CD1 4.35Å; L765-L1025 HydrophobicContact CG-CD2 4.08Å; L1021-L1025 HydrophobicContact CD1-CD1 4.24Å; L1021-L1025 HydrophobicContact CD1-CG 4.29Å; L1021-L1025 HydrophobicContact CG-CD1 4.06Å; L1021-L1025 WeakPolarHBondContact O-CG 3.3Å; L1021-L1025 PolarHBondContact O-N 3.02Å; L1023-L1025 VanDerWaalsContact C-N 3.28Å; L1023-L1025 PolarHBondContact O-N 2.97Å; L1025-S1028 PolarHBondContact O-N 3.43Å; L1025-I1029 WeakPolarHBondContact O-CB 3.16Å; L1025-I1029 VanDerWaalsContact O-CG1 3.25Å; L1025-I1029 WeakPolarHBondContact O-CG1 3.4Å; L1025-I1029 PolarHBondContact O-N 3.36Å
1026	F	80.9	Confident	78.1	Confident	120 Å²	120	56.6 Å²	56.6	53%	0.526	29%	0.292	S	S	.	.	H	α-helix	trans	-63.2	-47.7	176.4	-174.9	-90.6	0	0	0	111.6	G1022 L1023 S1028 I1029 F1030	G1022-F1026 PolarHBondContact O-N 3.46Å; G1022-F1026 VanDerWaalsContact O-N 3.13Å; L1023-F1026 WeakPolarHBondContact O-CB 3.44Å; L1023-F1026 PolarHBondContact O-N 2.98Å; L1023-F1026 VanDerWaalsContact O-N 3.09Å; F1026-S1028 PolarHBondContact O-N 3.27Å; F1026-I1029 PolarHBondContact O-N 3.45Å; F1026-F1030 HydrophobicContact CD1-CD2 4.28Å; F1026-F1030 AromaticContact CD2-CD2 3.4Å; F1026-F1030 HydrophobicContact CD2-CD2 3.4Å; F1026-F1030 AromaticContact CD2-CE2 3.52Å; F1026-F1030 HydrophobicContact CD2-CE2 3.52Å; F1026-F1030 HydrophobicContact CE1-CD2 4.28Å; F1026-F1030 AromaticContact CE2-CD2 3.39Å; F1026-F1030 HydrophobicContact CE2-CD2 3.39Å; F1026-F1030 AromaticContact CE2-CE2 3.52Å; F1026-F1030 HydrophobicContact CE2-CE2 3.52Å; F1026-F1030 HydrophobicContact CE2-CG 4.22Å; F1026-F1030 HydrophobicContact CE2-CZ 4.41Å; F1026-F1030 AromaticContact CG-CD2 3.86Å; F1026-F1030 HydrophobicContact CG-CD2 3.86Å; F1026-F1030 HydrophobicContact CG-CE2 4.37Å; F1026-F1030 AromaticContact CZ-CD2 3.86Å; F1026-F1030 HydrophobicContact CZ-CD2 3.86Å; F1026-F1030 HydrophobicContact CZ-CE2 4.38Å; F1026-F1030 HydrophobicContact CZ-CG 4.29Å; F1026-F1030 WeakPolarHBondContact O-CB 3.26Å; F1026-F1030 WeakPolarHBondContact O-CD2 3.49Å; F1026-F1030 PolarHBondContact O-N 3.48Å
1027	E	75.1	Confident	78.5	Confident	39 Å²	39	50 Å²	50	18%	0.182	26%	0.263	C	S	.	.	H	α-helix	trans	-57.5	-47.4	175.3	-171.5	-160.3	152.3	0	0	111.4	L1023 I1029 I1031 L1032	L1023-E1027 PolarHBondContact O-N 3.49Å; E1027-I1029 PolarHBondContact O-N 3.1Å; E1027-I1031 HydrophobicContact CG-CB 4.4Å; E1027-I1031 HydrophobicContact CG-CD1 4.14Å; E1027-I1031 WeakPolarHBondContact O-CA 3.4Å; E1027-I1031 VanDerWaalsContact O-CB 3.25Å; E1027-I1031 WeakPolarHBondContact O-CB 3.25Å; E1027-I1031 PolarHBondContact O-N 2.99Å; E1027-L1032 PolarHBondContact O-N 3.47Å; E1027-L1032 VanDerWaalsContact O-N 3.11Å
1028	S	76.7	Confident	78.5	Confident	34 Å²	34	53.2 Å²	53.2	24%	0.238	28%	0.28	C	S	.	.	I	π-helix	trans	-60.6	-45.5	-179.5	-172.5	0	0	0	0	112.7	S1024 L1025 F1026 Q1033	S1024-S1028 WeakPolarHBondContact O-CB 3.4Å; S1024-S1028 PolarHBondContact O-N 3.36Å; L1025-S1028 PolarHBondContact O-N 3.43Å; F1026-S1028 PolarHBondContact O-N 3.27Å; S1028-Q1033 WeakPolarHBondContact O-CG 3.32Å; S1028-Q1033 PolarHBondContact O-N 3.37Å; S1028-Q1033 VanDerWaalsContact O-N 3.15Å
1029	I	81.6	Confident	78.3	Confident	39 Å²	39	53.3 Å²	53.3	20%	0.2	29%	0.288	C	S	.	.	I	π-helix	trans	-73.3	-45.4	-176.3	-67.1	168.4	0	0	0	111.5	H738 W740 L1025 F1026 E1027 P1034	H738-I1029 PolarHBondContact NE2-O 3.44Å; H738-I1029 VanDerWaalsContact NE2-O 3.15Å; W740-I1029 HydrophobicContact CD2-CD1 4.29Å; W740-I1029 HydrophobicContact CD2-CG1 4.15Å; W740-I1029 HydrophobicContact CG-CG1 4.24Å; W740-I1029 HydrophobicContact CZ2-CD1 4.25Å; W740-I1029 HydrophobicContact CZ2-CG1 4.23Å; L1025-I1029 WeakPolarHBondContact O-CB 3.16Å; L1025-I1029 VanDerWaalsContact O-CG1 3.25Å; L1025-I1029 WeakPolarHBondContact O-CG1 3.4Å; L1025-I1029 PolarHBondContact O-N 3.36Å; F1026-I1029 PolarHBondContact O-N 3.45Å; E1027-I1029 PolarHBondContact O-N 3.1Å; I1029-P1034 WeakPolarHBondContact O-CD 3.4Å
1030	F	81.8	Confident	78.4	Confident	125 Å²	125	51.3 Å²	51.3	55%	0.548	28%	0.281	S	S	.	.	I	π-helix	trans	-98.8	-16.2	-169	-65.6	-75.3	0	0	0	114.3	F1026 P1034	F1026-F1030 HydrophobicContact CD1-CD2 4.28Å; F1026-F1030 AromaticContact CD2-CD2 3.4Å; F1026-F1030 HydrophobicContact CD2-CD2 3.4Å; F1026-F1030 AromaticContact CD2-CE2 3.52Å; F1026-F1030 HydrophobicContact CD2-CE2 3.52Å; F1026-F1030 HydrophobicContact CE1-CD2 4.28Å; F1026-F1030 AromaticContact CE2-CD2 3.39Å; F1026-F1030 HydrophobicContact CE2-CD2 3.39Å; F1026-F1030 AromaticContact CE2-CE2 3.52Å; F1026-F1030 HydrophobicContact CE2-CE2 3.52Å; F1026-F1030 HydrophobicContact CE2-CG 4.22Å; F1026-F1030 HydrophobicContact CE2-CZ 4.41Å; F1026-F1030 AromaticContact CG-CD2 3.86Å; F1026-F1030 HydrophobicContact CG-CD2 3.86Å; F1026-F1030 HydrophobicContact CG-CE2 4.37Å; F1026-F1030 AromaticContact CZ-CD2 3.86Å; F1026-F1030 HydrophobicContact CZ-CD2 3.86Å; F1026-F1030 HydrophobicContact CZ-CE2 4.38Å; F1026-F1030 HydrophobicContact CZ-CG 4.29Å; F1026-F1030 WeakPolarHBondContact O-CB 3.26Å; F1026-F1030 WeakPolarHBondContact O-CD2 3.49Å; F1026-F1030 PolarHBondContact O-N 3.48Å; F1030-P1034 WeakPolarHBondContact O-CG 3.24Å
1031	I	78	Confident	78.5	Confident	95 Å²	95	51.3 Å²	51.3	49%	0.487	28%	0.281	S	S	.	.	I	π-helix	trans	-117.2	-64.4	-176.5	-52.5	-179.4	0	0	0	110.8	E1027 Q1033 P1034 L1035	E1027-I1031 HydrophobicContact CG-CB 4.4Å; E1027-I1031 HydrophobicContact CG-CD1 4.14Å; E1027-I1031 WeakPolarHBondContact O-CA 3.4Å; E1027-I1031 VanDerWaalsContact O-CB 3.25Å; E1027-I1031 WeakPolarHBondContact O-CB 3.25Å; E1027-I1031 PolarHBondContact O-N 2.99Å; I1031-Q1033 PolarHBondContact O-N 2.85Å; I1031-P1034 WeakPolarHBondContact O-CD 3.42Å; I1031-L1035 WeakPolarHBondContact O-CB 3.48Å; I1031-L1035 PolarHBondContact O-N 3.05Å; I1031-L1035 VanDerWaalsContact O-N 3.09Å
1032	L	74.4	Confident	78.5	Confident	70 Å²	70	53.5 Å²	53.5	37%	0.366	29%	0.294	S	S	.	.	I	π-helix	trans	-66.4	-43.9	-170.8	-66.5	175.8	0	0	0	113	E1027 K1036	E1027-L1032 PolarHBondContact O-N 3.47Å; E1027-L1032 VanDerWaalsContact O-N 3.11Å; L1032-K1036 WeakPolarHBondContact O-CB 3.08Å; L1032-K1036 PolarHBondContact O-N 3.41Å
1033	Q	77	Confident	78.6	Confident	22 Å²	22	57 Å²	57	10%	0.103	30%	0.298	C	S	.	.	H	α-helix	trans	-67.6	-45.7	179.4	-74.5	-166.2	25.7	0	0	113.8	H738 S1028 I1031 L1035 K1036 V1037	H738-Q1033 PolarHBondContact CE1-OE1 3.36Å; H738-Q1033 VanDerWaalsContact CE1-OE1 3.26Å; H738-Q1033 PolarHBondContact ND1-OE1 2.74Å; H738-Q1033 VanDerWaalsContact ND1-OE1 3.09Å; H738-Q1033 WeakPolarHBondContact NE2-CB 3.36Å; S1028-Q1033 WeakPolarHBondContact O-CG 3.32Å; S1028-Q1033 PolarHBondContact O-N 3.37Å; S1028-Q1033 VanDerWaalsContact O-N 3.15Å; I1031-Q1033 PolarHBondContact O-N 2.85Å; Q1033-L1035 PolarHBondContact O-N 3.31Å; Q1033-K1036 WeakPolarHBondContact O-CB 3.38Å; Q1033-K1036 PolarHBondContact O-N 3.28Å; Q1033-V1037 WeakPolarHBondContact O-CG2 3.43Å; Q1033-V1037 PolarHBondContact O-N 3.44Å; Q1033-V1037 VanDerWaalsContact O-N 3.12Å
1034	P	84.1	Confident	78.4	Confident	26 Å²	26	56.6 Å²	56.6	17%	0.169	29%	0.292	C	S	.	.	H	α-helix	trans	-60.2	-42.3	173.8	-29.2	38.5	0	0	0	113.4	F734 I1029 F1030 I1031 K1036 V1037 I1038	F734-P1034 HydrophobicContact CE1-CB 3.85Å; F734-P1034 HydrophobicContact CE1-CG 4.31Å; F734-P1034 HydrophobicContact CZ-CB 4.13Å; I1029-P1034 WeakPolarHBondContact O-CD 3.4Å; F1030-P1034 WeakPolarHBondContact O-CG 3.24Å; I1031-P1034 WeakPolarHBondContact O-CD 3.42Å; P1034-K1036 VanDerWaalsContact C-N 3.33Å; P1034-K1036 PolarHBondContact O-N 2.96Å; P1034-V1037 PolarHBondContact O-N 3.27Å; P1034-I1038 WeakPolarHBondContact O-CG1 3.33Å; P1034-I1038 PolarHBondContact O-N 2.92Å
1035	L	81.3	Confident	78.3	Confident	119 Å²	119	56.6 Å²	56.6	62%	0.623	29%	0.294	S	S	*	.	H	α-helix	trans	-60.8	-43.4	178.2	-169.5	73.2	0	0	0	111.4	I1031 Q1033 V1037 I1038 G1039	I1031-L1035 WeakPolarHBondContact O-CB 3.48Å; I1031-L1035 PolarHBondContact O-N 3.05Å; I1031-L1035 VanDerWaalsContact O-N 3.09Å; Q1033-L1035 PolarHBondContact O-N 3.31Å; L1035-V1037 PolarHBondContact O-N 2.92Å; L1035-I1038 PolarHBondContact O-N 2.9Å; L1035-G1039 PolarHBondContact O-N 3.47Å
1036	K	81.6	Confident	78.2	Confident	63 Å²	63	61.1 Å²	61.1	27%	0.274	32%	0.317	S	S	.	.	H	α-helix	trans	-56.4	-50.1	173.9	174.3	-168.8	166.7	-176.4	0	111.7	F811 L1032 Q1033 P1034 G1039 V1040	F811-K1036 HydrophobicContact CE2-CD 4.33Å; L1032-K1036 WeakPolarHBondContact O-CB 3.08Å; L1032-K1036 PolarHBondContact O-N 3.41Å; Q1033-K1036 WeakPolarHBondContact O-CB 3.38Å; Q1033-K1036 PolarHBondContact O-N 3.28Å; P1034-K1036 VanDerWaalsContact C-N 3.33Å; P1034-K1036 PolarHBondContact O-N 2.96Å; K1036-G1039 PolarHBondContact O-N 3.38Å; K1036-V1040 WeakPolarHBondContact O-CG2 3.24Å; K1036-V1040 PolarHBondContact O-N 2.92Å
1037	V	82	Confident	77.5	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.006	32%	0.321	C	S	.	.	H	α-helix	trans	-62.6	-44.7	-178.1	172.8	0	0	0	0	111.3	G733 F734 E737 H738 Q1033 P1034 L1035 V1040 A1041	G733-V1037 VanDerWaalsContact C-CG1 3.43Å; F734-V1037 HydrophobicContact CD1-CB 4.39Å; F734-V1037 HydrophobicContact CD1-CG1 4.14Å; F734-V1037 HydrophobicContact CD1-CG2 4.49Å; F734-V1037 HydrophobicContact CD2-CG1 3.93Å; F734-V1037 HydrophobicContact CE1-CB 4.26Å; F734-V1037 HydrophobicContact CE1-CG1 4.31Å; F734-V1037 HydrophobicContact CE2-CG1 4.1Å; F734-V1037 HydrophobicContact CG-CG1 3.93Å; F734-V1037 HydrophobicContact CZ-CB 4.4Å; F734-V1037 HydrophobicContact CZ-CG1 4.28Å; E737-V1037 HydrophobicContact CB-CG2 3.9Å; H738-V1037 HydrophobicContact CB-CG2 4.1Å; Q1033-V1037 WeakPolarHBondContact O-CG2 3.43Å; Q1033-V1037 PolarHBondContact O-N 3.44Å; Q1033-V1037 VanDerWaalsContact O-N 3.12Å; P1034-V1037 PolarHBondContact O-N 3.27Å; L1035-V1037 PolarHBondContact O-N 2.92Å; V1037-V1040 PolarHBondContact O-N 2.96Å; V1037-A1041 WeakPolarHBondContact O-CB 3.46Å; V1037-A1041 PolarHBondContact O-N 2.65Å
1038	I	82.2	Confident	76.6	Confident	68 Å²	68	63.1 Å²	63.1	35%	0.349	33%	0.333	S	S	.	.	H	α-helix	trans	-64.4	-44.6	178.2	-66.1	167.6	0	0	0	110.1	F734 P1034 L1035 V1040 A1041 V1042	F734-I1038 HydrophobicContact CE2-CG1 4.18Å; F734-I1038 HydrophobicContact CZ-CD1 4.23Å; F734-I1038 HydrophobicContact CZ-CG1 4.02Å; P1034-I1038 WeakPolarHBondContact O-CG1 3.33Å; P1034-I1038 PolarHBondContact O-N 2.92Å; L1035-I1038 PolarHBondContact O-N 2.9Å; I1038-V1040 PolarHBondContact O-N 2.95Å; I1038-A1041 PolarHBondContact O-N 3.48Å; I1038-V1042 HydrophobicContact CG2-CG2 4.3Å; I1038-V1042 WeakPolarHBondContact O-CG2 3.47Å; I1038-V1042 PolarHBondContact O-N 3.03Å
1039	G	78.3	Confident	75.6	Confident	40 Å²	40	70.5 Å²	70.5	41%	0.412	36%	0.361	S	S	.	.	H	α-helix	trans	-58.6	-46.4	177.9	0	0	0	0	0	112.8	L1035 K1036 V1042 F1043	L1035-G1039 PolarHBondContact O-N 3.47Å; K1036-G1039 PolarHBondContact O-N 3.38Å; G1039-V1042 PolarHBondContact O-N 3.29Å; G1039-F1043 WeakPolarHBondContact O-CB 3.2Å; G1039-F1043 PolarHBondContact O-N 2.84Å
1040	V	75.8	Confident	73.9	Confident	43 Å²	43	72.1 Å²	72.1	26%	0.261	37%	0.374	S	S	.	.	H	α-helix	trans	-62.6	-46	174.4	173.9	0	0	0	0	110.6	K1036 V1037 I1038 V1042 F1043 F1044	K1036-V1040 WeakPolarHBondContact O-CG2 3.24Å; K1036-V1040 PolarHBondContact O-N 2.92Å; V1037-V1040 PolarHBondContact O-N 2.96Å; I1038-V1040 PolarHBondContact O-N 2.95Å; V1040-V1042 PolarHBondContact O-N 2.87Å; V1040-F1043 PolarHBondContact O-N 3.13Å; V1040-F1044 HydrophobicContact CG1-CD2 3.67Å; V1040-F1044 HydrophobicContact CG1-CE2 3.77Å; V1040-F1044 VanDerWaalsContact O-CD2 3.24Å; V1040-F1044 WeakPolarHBondContact O-CD2 3.3Å; V1040-F1044 PolarHBondContact O-N 2.97Å
1041	A	77.3	Confident	71.9	Confident	4 Å²	4	70.7 Å²	70.7	3%	0.033	38%	0.375	C	S	.	.	H	α-helix	trans	-61.4	-41	179.6	0	0	0	0	0	112.8	F726 R729 T730 V1037 I1038 A1045	F726-A1041 HydrophobicContact CD2-CB 4.25Å; F726-A1041 HydrophobicContact CE2-CB 4.23Å; R729-A1041 HydrophobicContact CB-CB 3.99Å; T730-A1041 VanDerWaalsContact OG1-CB 3.24Å; T730-A1041 WeakPolarHBondContact OG1-CB 3.39Å; V1037-A1041 WeakPolarHBondContact O-CB 3.46Å; V1037-A1041 PolarHBondContact O-N 2.65Å; I1038-A1041 PolarHBondContact O-N 3.48Å; A1041-A1045 WeakPolarHBondContact O-CB 3.3Å; A1041-A1045 PolarHBondContact O-N 2.8Å
1042	V	79.9	Confident	69.9	Low	49 Å²	49	70 Å²	70	30%	0.297	38%	0.384	S	S	.	.	H	α-helix	trans	-65.6	-48.8	175.1	173.4	0	0	0	0	110.9	F726 I1038 G1039 V1040 F1044 A1045 L1046	F726-V1042 HydrophobicContact CD2-CG2 4.06Å; F726-V1042 HydrophobicContact CE2-CG2 3.58Å; I1038-V1042 HydrophobicContact CG2-CG2 4.3Å; I1038-V1042 WeakPolarHBondContact O-CG2 3.47Å; I1038-V1042 PolarHBondContact O-N 3.03Å; G1039-V1042 PolarHBondContact O-N 3.29Å; V1040-V1042 PolarHBondContact O-N 2.87Å; V1042-F1044 VanDerWaalsContact C-N 3.35Å; V1042-F1044 PolarHBondContact O-N 2.94Å; V1042-A1045 PolarHBondContact O-N 3.32Å; V1042-L1046 HydrophobicContact CG1-CD1 3.69Å; V1042-L1046 HydrophobicContact CG1-CG 4.29Å; V1042-L1046 WeakPolarHBondContact O-CG 3.47Å; V1042-L1046 PolarHBondContact O-N 3.33Å
1043	F	78.6	Confident	68.3	Low	115 Å²	115	70 Å²	70	50%	0.504	39%	0.387	S	S	.	.	H	α-helix	trans	-55.9	-48.9	179.5	178.2	-90.3	0	0	0	111.6	G1039 V1040 L1046 L1047	G1039-F1043 WeakPolarHBondContact O-CB 3.2Å; G1039-F1043 PolarHBondContact O-N 2.84Å; V1040-F1043 PolarHBondContact O-N 3.13Å; F1043-L1046 PolarHBondContact O-N 2.85Å; F1043-L1047 HydrophobicContact CD1-CD1 4.12Å; F1043-L1047 HydrophobicContact CD2-CD1 3.42Å; F1043-L1047 VanDerWaalsContact CD2-CD1 3.42Å; F1043-L1047 HydrophobicContact CE1-CD1 3.83Å; F1043-L1047 HydrophobicContact CE2-CD1 3.08Å; F1043-L1047 HydrophobicContact CG-CD1 3.93Å; F1043-L1047 HydrophobicContact CZ-CD1 3.31Å; F1043-L1047 WeakPolarHBondContact O-CB 3.22Å; F1043-L1047 PolarHBondContact O-N 3.4Å
1044	F	68.8	Low	66.9	Low	77 Å²	77	73.9 Å²	73.9	34%	0.338	41%	0.405	S	S	.	.	H	α-helix	trans	-68.9	-35.7	178.5	-83.3	-103	0	0	0	112.5	V1040 V1042 L1046 L1048	V1040-F1044 HydrophobicContact CG1-CD2 3.67Å; V1040-F1044 HydrophobicContact CG1-CE2 3.77Å; V1040-F1044 VanDerWaalsContact O-CD2 3.24Å; V1040-F1044 WeakPolarHBondContact O-CD2 3.3Å; V1040-F1044 PolarHBondContact O-N 2.97Å; V1042-F1044 VanDerWaalsContact C-N 3.35Å; V1042-F1044 PolarHBondContact O-N 2.94Å; F1044-L1046 VanDerWaalsContact C-N 3.26Å; F1044-L1046 PolarHBondContact O-N 3.4Å; F1044-L1048 HydrophobicContact CD1-CB 4.44Å; F1044-L1048 HydrophobicContact CD1-CD1 3.06Å; F1044-L1048 HydrophobicContact CD1-CG 4.31Å; F1044-L1048 HydrophobicContact CE1-CD1 3.14Å; F1044-L1048 HydrophobicContact CG-CD1 3.88Å; F1044-L1048 HydrophobicContact CZ-CD1 4.04Å; F1044-L1048 PolarHBondContact O-N 2.98Å; F1044-L1048 VanDerWaalsContact O-N 3.14Å
1045	A	72	Confident	65.1	Low	13 Å²	13	78.2 Å²	78.2	11%	0.107	42%	0.423	C	S	.	.	H	α-helix	trans	-67.5	-26.2	176.4	0	0	0	0	0	113.1	F722 I725 F726 A1041 V1042	F722-A1045 HydrophobicContact CD2-CB 3.81Å; F722-A1045 HydrophobicContact CE2-CB 3.62Å; F722-A1045 HydrophobicContact CZ-CB 4.5Å; I725-A1045 HydrophobicContact CB-CB 4.45Å; I725-A1045 HydrophobicContact CG2-CB 3.95Å; F726-A1045 HydrophobicContact CB-CB 4.21Å; A1041-A1045 WeakPolarHBondContact O-CB 3.3Å; A1041-A1045 PolarHBondContact O-N 2.8Å; V1042-A1045 PolarHBondContact O-N 3.32Å
1046	L	74.6	Confident	64	Low	122 Å²	122	74.8 Å²	74.8	64%	0.639	41%	0.407	S	S	*	.	H	α-helix	trans	-90.1	-34.7	177.8	-67.2	174.6	0	0	0	113.5	F722 V1042 F1043 F1044	F722-L1046 HydrophobicContact CD2-CD2 4.14Å; F722-L1046 HydrophobicContact CE2-CD2 3.89Å; F722-L1046 HydrophobicContact CE2-CG 4.18Å; V1042-L1046 HydrophobicContact CG1-CD1 3.69Å; V1042-L1046 HydrophobicContact CG1-CG 4.29Å; V1042-L1046 WeakPolarHBondContact O-CG 3.47Å; V1042-L1046 PolarHBondContact O-N 3.33Å; F1043-L1046 PolarHBondContact O-N 2.85Å; F1044-L1046 VanDerWaalsContact C-N 3.26Å; F1044-L1046 PolarHBondContact O-N 3.4Å
1047	L	67.6	Low	63.1	Low	115 Å²	115	76.8 Å²	76.8	60%	0.602	42%	0.417	S	S	*	.	H	α-helix	trans	-108.6	-16.6	-167.5	-66.9	168.6	0	0	0	115.5	F1043	F1043-L1047 HydrophobicContact CD1-CD1 4.12Å; F1043-L1047 HydrophobicContact CD2-CD1 3.42Å; F1043-L1047 VanDerWaalsContact CD2-CD1 3.42Å; F1043-L1047 HydrophobicContact CE1-CD1 3.83Å; F1043-L1047 HydrophobicContact CE2-CD1 3.08Å; F1043-L1047 HydrophobicContact CG-CD1 3.93Å; F1043-L1047 HydrophobicContact CZ-CD1 3.31Å; F1043-L1047 WeakPolarHBondContact O-CB 3.22Å; F1043-L1047 PolarHBondContact O-N 3.4Å
1048	L	55.7	Low	62.5	Low	85 Å²	85	80.1 Å²	80.1	45%	0.445	43%	0.433	S	S	.	.			trans	-122	132.3	-173	-73.1	162.7	0	0	0	113	F1044	F1044-L1048 HydrophobicContact CD1-CB 4.44Å; F1044-L1048 HydrophobicContact CD1-CD1 3.06Å; F1044-L1048 HydrophobicContact CD1-CG 4.31Å; F1044-L1048 HydrophobicContact CE1-CD1 3.14Å; F1044-L1048 HydrophobicContact CG-CD1 3.88Å; F1044-L1048 HydrophobicContact CZ-CD1 4.04Å; F1044-L1048 PolarHBondContact O-N 2.98Å; F1044-L1048 VanDerWaalsContact O-N 3.14Å
1049	K	54.2	Low	62.1	Low	190 Å²	190	77.4 Å²	77.4	83%	0.826	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-64.2	152.4	167	-79.1	-175.6	179.2	179.2	0	110.3	V1051	K1049-V1051 PolarHBondContact O-N 3.3Å
1050	P	47.2	Very low	62.1	Low	73 Å²	73	78.1 Å²	78.1	47%	0.474	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-50.8	129.5	-176.7	18.8	-31.8	0	0	0	111.3	A1052	P1050-A1052 PolarHBondContact O-N 3.21Å
1051	V	39.2	Very low	62.1	Low	94 Å²	94	81.2 Å²	81.2	57%	0.57	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-67.7	130.2	-175.4	169.9	0	0	0	0	109.4	K1049	K1049-V1051 PolarHBondContact O-N 3.3Å
1052	A	35.8	Very low	62.3	Low	80 Å²	80	81.5 Å²	81.5	66%	0.661	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-56.2	141.4	178.2	0	0	0	0	0	111.6	P1050 E1054	P1050-A1052 PolarHBondContact O-N 3.21Å; A1052-E1054 PolarHBondContact O-N 3.45Å
1053	V	41.6	Very low	62.4	Low	70 Å²	70	81.8 Å²	81.8	42%	0.424	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-63.5	117.5	176	175.2	0	0	0	0	109.3	Q682 V689 E1055	Q682-V1053 VanDerWaalsContact OE1-CG1 3.31Å; V689-V1053 HydrophobicContact CB-CG2 4.23Å; V689-V1053 HydrophobicContact CG1-CG2 3.91Å; V689-V1053 HydrophobicContact CG2-CB 3.98Å; V689-V1053 HydrophobicContact CG2-CG1 4.34Å; V689-V1053 HydrophobicContact CG2-CG2 3.64Å; V1053-E1055 PolarHBondContact O-N 3.31Å
1054	E	46.1	Very low	62.6	Low	105 Å²	105	81.6 Å²	81.6	49%	0.491	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-70.7	124.5	175	-74.7	-164.6	130.7	0	0	110	K978 A1052 T1056	K978-E1054 WeakPolarHBondContact CE-OE1 3.39Å; K978-E1054 IonicContact NZ-OE1 3.94Å; K978-E1054 PolarHBondContact NZ-OE1 2.95Å; K978-E1054 IonicContact NZ-OE2 2.78Å; A1052-E1054 PolarHBondContact O-N 3.45Å; E1054-T1056 PolarHBondContact O-N 3.45Å
1055	E	46.7	Very low	63.3	Low	117 Å²	117	81.5 Å²	81.5	55%	0.547	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-61.8	116.8	165.1	-69.9	-179.9	152.8	0	0	108.9	K687 V1053	K687-E1055 VanDerWaalsContact CD-OE1 3.32Å; K687-E1055 WeakPolarHBondContact CD-OE1 3.46Å; K687-E1055 WeakPolarHBondContact CE-OE1 3.28Å; K687-E1055 IonicContact NZ-OE1 3.51Å; K687-E1055 PolarHBondContact NZ-OE1 3.48Å; K687-E1055 IonicContact NZ-OE2 3.76Å; K687-E1055 PolarHBondContact NZ-OE2 3.23Å; V1053-E1055 PolarHBondContact O-N 3.31Å
1056	T	59	Low	63.8	Low	47 Å²	47	80.9 Å²	80.9	29%	0.288	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-85	132.8	176.9	47.9	0	0	0	0	109.6	E1054 E1058 A1059	E1054-T1056 PolarHBondContact O-N 3.45Å; T1056-E1058 PolarHBondContact O-N 3.4Å; T1056-E1058 VanDerWaalsContact O-N 3.13Å; T1056-A1059 WeakPolarHBondContact O-CB 3.4Å; T1056-A1059 PolarHBondContact O-N 3.49Å
1057	E	62.5	Low	64.2	Low	104 Å²	104	78 Å²	78	49%	0.486	42%	0.417	S	S	.	.	H	α-helix	trans	-57.1	-24.2	172.6	-70.9	174.7	167.6	0	0	111.6	I828 A1060 Q1061	I828-E1057 HydrophobicContact CD1-CB 3.79Å; I828-E1057 WeakPolarHBondContact CD1-OE2 3.38Å; E1057-A1060 PolarHBondContact O-N 2.84Å; E1057-Q1061 PolarHBondContact O-N 3.43Å
1058	E	70.1	Confident	65	Low	72 Å²	72	75.6 Å²	75.6	34%	0.336	41%	0.405	S	S	.	.	H	α-helix	trans	-59.6	-40.8	171.2	-63.3	175.4	-173.1	0	0	112.9	I583 R749 T1056 A1060 Q1061 V1062	I583-E1058 HydrophobicContact CD1-CB 3.68Å; I583-E1058 HydrophobicContact CG1-CB 4.31Å; R749-E1058 IonicContact CZ-OE2 2.83Å; R749-E1058 IonicContact NE-OE2 3.44Å; R749-E1058 PolarHBondContact NE-OE2 3.33Å; R749-E1058 IonicContact NH2-OE2 3.75Å; R749-E1058 PolarHBondContact NH2-OE2 3.41Å; T1056-E1058 PolarHBondContact O-N 3.4Å; T1056-E1058 VanDerWaalsContact O-N 3.13Å; E1058-A1060 VanDerWaalsContact C-N 3.28Å; E1058-A1060 PolarHBondContact O-N 3Å; E1058-Q1061 PolarHBondContact O-N 3.06Å; E1058-V1062 PolarHBondContact O-N 2.91Å
1059	A	74.2	Confident	66.4	Low	10 Å²	10	74.7 Å²	74.7	8%	0.083	40%	0.396	C	S	.	.	H	α-helix	trans	-65.3	-34.8	180	0	0	0	0	0	111.5	I583 T1056 Q1061 V1062 L1063	I583-A1059 HydrophobicContact CD1-CB 4.19Å; T1056-A1059 WeakPolarHBondContact O-CB 3.4Å; T1056-A1059 PolarHBondContact O-N 3.49Å; A1059-Q1061 VanDerWaalsContact C-N 3.35Å; A1059-V1062 PolarHBondContact O-N 3.2Å; A1059-L1063 WeakPolarHBondContact O-CB 3.27Å; A1059-L1063 WeakPolarHBondContact O-CG 3.38Å; A1059-L1063 PolarHBondContact O-N 3.28Å
1060	A	76.5	Confident	67.8	Low	56 Å²	56	65.6 Å²	65.6	46%	0.463	36%	0.356	S	S	.	.	H	α-helix	trans	-66.1	-36.5	175.5	0	0	0	0	0	112.3	E1057 E1058 L1063 L1064	E1057-A1060 PolarHBondContact O-N 2.84Å; E1058-A1060 VanDerWaalsContact C-N 3.28Å; E1058-A1060 PolarHBondContact O-N 3Å; A1060-L1063 PolarHBondContact O-N 3.18Å; A1060-L1064 WeakPolarHBondContact O-CG 3.39Å; A1060-L1064 PolarHBondContact O-N 3.13Å; A1060-L1064 VanDerWaalsContact O-N 3.11Å
1061	Q	77.3	Confident	69.5	Low	108 Å²	108	66.6 Å²	66.6	51%	0.505	35%	0.351	S	S	.	.	H	α-helix	trans	-66.8	-42.1	177	-171.6	175	-1.6	0	0	111.8	E1057 E1058 A1059 L1064 E1065	E1057-Q1061 PolarHBondContact O-N 3.43Å; E1058-Q1061 PolarHBondContact O-N 3.06Å; A1059-Q1061 VanDerWaalsContact C-N 3.35Å; Q1061-L1064 WeakPolarHBondContact O-CB 3.45Å; Q1061-L1064 PolarHBondContact O-N 3.32Å; Q1061-E1065 PolarHBondContact O-N 3.09Å; Q1061-E1065 VanDerWaalsContact O-N 3.07Å
1062	V	81.7	Confident	71.6	Confident	10 Å²	10	70 Å²	70	6%	0.061	35%	0.353	C	S	.	.	H	α-helix	trans	-69.9	-33.6	177.4	-174.3	0	0	0	0	111.8	I583 L585 L648 E1058 A1059 L1064 E1065 Q1066	I583-V1062 HydrophobicContact CB-CG2 3.84Å; I583-V1062 HydrophobicContact CG2-CB 4.49Å; I583-V1062 HydrophobicContact CG2-CG1 4.46Å; I583-V1062 HydrophobicContact CG2-CG2 4.01Å; L585-V1062 HydrophobicContact CB-CG1 3.81Å; L585-V1062 HydrophobicContact CD1-CG1 4.14Å; L585-V1062 HydrophobicContact CG-CG1 4.43Å; L648-V1062 HydrophobicContact CB-CG1 4.08Å; L648-V1062 HydrophobicContact CD2-CB 4.33Å; L648-V1062 HydrophobicContact CD2-CG1 3.63Å; L648-V1062 HydrophobicContact CG-CG1 4.47Å; E1058-V1062 PolarHBondContact O-N 2.91Å; A1059-V1062 PolarHBondContact O-N 3.2Å; V1062-L1064 VanDerWaalsContact C-N 3.31Å; V1062-L1064 PolarHBondContact O-N 3.26Å; V1062-E1065 WeakPolarHBondContact O-CB 3.49Å; V1062-E1065 PolarHBondContact O-N 3.14Å; V1062-Q1066 PolarHBondContact O-N 3.38Å
1063	L	81.9	Confident	73.9	Confident	55 Å²	55	67.4 Å²	67.4	29%	0.288	33%	0.326	S	S	.	.	H	α-helix	trans	-62.2	-37.8	171.6	-73.6	170.7	0	0	0	112.3	N596 L648 L684 A1059 A1060 Q1066 Q1067	N596-L1063 HydrophobicContact CB-CD2 3.87Å; N596-L1063 WeakPolarHBondContact ND2-CD2 3.48Å; L648-L1063 HydrophobicContact CD2-CD2 4.13Å; L684-L1063 HydrophobicContact CD1-CD1 4.27Å; L684-L1063 HydrophobicContact CD1-CD2 4.08Å; L684-L1063 HydrophobicContact CD1-CG 4.37Å; A1059-L1063 WeakPolarHBondContact O-CB 3.27Å; A1059-L1063 WeakPolarHBondContact O-CG 3.38Å; A1059-L1063 PolarHBondContact O-N 3.28Å; A1060-L1063 PolarHBondContact O-N 3.18Å; L1063-Q1066 PolarHBondContact O-N 3.45Å; L1063-Q1067 PolarHBondContact O-N 2.94Å
1064	L	82.6	Confident	75.9	Confident	111 Å²	111	64.3 Å²	64.3	58%	0.581	31%	0.308	S	S	*	.	H	α-helix	trans	-66.2	-38.9	173.5	-72.5	169.9	0	0	0	111.7	A1060 Q1061 V1062 Q1067 D1068	A1060-L1064 WeakPolarHBondContact O-CG 3.39Å; A1060-L1064 PolarHBondContact O-N 3.13Å; A1060-L1064 VanDerWaalsContact O-N 3.11Å; Q1061-L1064 WeakPolarHBondContact O-CB 3.45Å; Q1061-L1064 PolarHBondContact O-N 3.32Å; V1062-L1064 VanDerWaalsContact C-N 3.31Å; V1062-L1064 PolarHBondContact O-N 3.26Å; L1064-Q1067 PolarHBondContact O-N 3.35Å; L1064-D1068 PolarHBondContact O-N 3.38Å
1065	E	82.8	Confident	77.3	Confident	74 Å²	74	62.1 Å²	62.1	35%	0.346	31%	0.314	S	S	.	.	H	α-helix	trans	-62.2	-42.1	174.6	-169.6	180	167.1	0	0	111.7	L585 Q1061 V1062 D1068 R1069	L585-E1065 HydrophobicContact CD2-CB 4.24Å; L585-E1065 HydrophobicContact CD2-CG 3.88Å; Q1061-E1065 PolarHBondContact O-N 3.09Å; Q1061-E1065 VanDerWaalsContact O-N 3.07Å; V1062-E1065 WeakPolarHBondContact O-CB 3.49Å; V1062-E1065 PolarHBondContact O-N 3.14Å; E1065-D1068 PolarHBondContact O-N 2.77Å; E1065-R1069 PolarHBondContact O-N 3.4Å
1066	Q	82.8	Confident	78.7	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-65	-37.8	174	-177.5	63.2	2.5	0	0	112.1	L585 T593 S650 V1062 L1063 D1068 R1069 C1070	L585-Q1066 HydrophobicContact CD1-CB 4.2Å; L585-Q1066 HydrophobicContact CD2-CB 4.38Å; T593-Q1066 PolarHBondContact O-NE2 3.35Å; S650-Q1066 PolarHBondContact OG-NE2 2.99Å; V1062-Q1066 PolarHBondContact O-N 3.38Å; L1063-Q1066 PolarHBondContact O-N 3.45Å; Q1066-D1068 VanDerWaalsContact C-N 3.34Å; Q1066-R1069 PolarHBondContact O-N 3.25Å; Q1066-C1070 PolarHBondContact O-N 3.14Å; Q1066-C1070 VanDerWaalsContact O-N 3.11Å
1067	Q	83.1	Confident	79	Confident	61 Å²	61	64.4 Å²	64.4	29%	0.285	32%	0.322	S	S	.	.	H	α-helix	trans	-64.4	-40.2	173.9	-172.4	173.7	7.9	0	0	111.6	L1063 L1064 C1070 R1071	L1063-Q1067 PolarHBondContact O-N 2.94Å; L1064-Q1067 PolarHBondContact O-N 3.35Å; Q1067-C1070 WeakPolarHBondContact O-CB 3.37Å; Q1067-C1070 PolarHBondContact O-N 3.18Å; Q1067-R1071 WeakPolarHBondContact O-CG 3.44Å; Q1067-R1071 PolarHBondContact O-N 2.93Å
1068	D	83.3	Confident	78.7	Confident	64 Å²	64	65.5 Å²	65.5	34%	0.342	34%	0.335	S	S	.	.	H	α-helix	trans	-65.8	-37.9	176.6	-164.5	58.7	0	0	0	112.2	L1064 E1065 Q1066 C1070 R1071 R1072	L1064-D1068 PolarHBondContact O-N 3.38Å; E1065-D1068 PolarHBondContact O-N 2.77Å; Q1066-D1068 VanDerWaalsContact C-N 3.34Å; D1068-C1070 VanDerWaalsContact C-N 3.32Å; D1068-C1070 PolarHBondContact O-N 2.64Å; D1068-R1071 PolarHBondContact O-N 2.96Å; D1068-R1072 WeakPolarHBondContact O-CG 3.43Å; D1068-R1072 PolarHBondContact O-N 2.63Å; D1068-R1072 IonicContact OD2-CZ 2.77Å; D1068-R1072 VanDerWaalsContact OD2-CZ 3.32Å; D1068-R1072 IonicContact OD2-NE 2.84Å; D1068-R1072 PolarHBondContact OD2-NE 2.99Å; D1068-R1072 VanDerWaalsContact OD2-NE 3.11Å; D1068-R1072 IonicContact OD2-NH2 3.7Å; D1068-R1072 PolarHBondContact OD2-NH2 3.39Å
1069	R	85.1	Confident	78	Confident	66 Å²	66	63 Å²	63	25%	0.249	32%	0.324	C	S	.	.	H	α-helix	trans	-58.4	-42.7	170.2	-74.4	-171.4	-177.6	179.9	2.4	111.8	L586 E1065 Q1066 Y1073	L586-R1069 PolarHBondContact O-NH1 2.78Å; E1065-R1069 PolarHBondContact O-N 3.4Å; Q1066-R1069 PolarHBondContact O-N 3.25Å; R1069-Y1073 VanDerWaalsContact O-CB 3.31Å; R1069-Y1073 WeakPolarHBondContact O-CB 3.31Å; R1069-Y1073 PolarHBondContact O-N 3.33Å
1070	C	84	Confident	78.2	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-66.4	-40.7	176.8	-171.4	0	0	0	0	112.6	P591 H594 Q1066 Q1067 D1068 R1072 Y1073 T1074	P591-C1070 VanDerWaalsContact O-CB 3.26Å; P591-C1070 WeakPolarHBondContact O-CB 3.48Å; H594-C1070 PolarHBondContact NE2-SG 2.95Å; Q1066-C1070 PolarHBondContact O-N 3.14Å; Q1066-C1070 VanDerWaalsContact O-N 3.11Å; Q1067-C1070 WeakPolarHBondContact O-CB 3.37Å; Q1067-C1070 PolarHBondContact O-N 3.18Å; D1068-C1070 VanDerWaalsContact C-N 3.32Å; D1068-C1070 PolarHBondContact O-N 2.64Å; C1070-R1072 PolarHBondContact O-N 2.64Å; C1070-Y1073 WeakPolarHBondContact O-CB 3.46Å; C1070-Y1073 PolarHBondContact O-N 3.41Å; C1070-T1074 WeakPolarHBondContact O-CG2 3.42Å; C1070-T1074 PolarHBondContact O-N 3.49Å; C1070-T1074 PolarHBondContact O-OG1 3.02Å
1071	R	82.8	Confident	78.3	Confident	93 Å²	93	66.1 Å²	66.1	35%	0.351	33%	0.329	S	S	.	.	H	α-helix	trans	-60	-46.2	176	-73.6	-179.1	-175	169.3	1.4	111.8	Q1067 D1068 Y1073 T1074 G1075	Q1067-R1071 WeakPolarHBondContact O-CG 3.44Å; Q1067-R1071 PolarHBondContact O-N 2.93Å; D1068-R1071 PolarHBondContact O-N 2.96Å; R1071-Y1073 VanDerWaalsContact C-N 3.31Å; R1071-Y1073 PolarHBondContact O-N 3.02Å; R1071-T1074 PolarHBondContact O-N 3.35Å; R1071-T1074 PolarHBondContact O-OG1 3.28Å; R1071-G1075 WeakPolarHBondContact O-CA 3.26Å; R1071-G1075 PolarHBondContact O-N 3.14Å
1072	R	83.1	Confident	78.4	Confident	166 Å²	166	63.8 Å²	63.8	63%	0.626	32%	0.319	S	S	*	.	H	α-helix	trans	-64.1	-35.9	175.4	-67.7	-172	-122.8	161.1	-1.8	112.5	D1068 C1070	D1068-R1072 WeakPolarHBondContact O-CG 3.43Å; D1068-R1072 PolarHBondContact O-N 2.63Å; D1068-R1072 IonicContact OD2-CZ 2.77Å; D1068-R1072 VanDerWaalsContact OD2-CZ 3.32Å; D1068-R1072 IonicContact OD2-NE 2.84Å; D1068-R1072 PolarHBondContact OD2-NE 2.99Å; D1068-R1072 VanDerWaalsContact OD2-NE 3.11Å; D1068-R1072 IonicContact OD2-NH2 3.7Å; D1068-R1072 PolarHBondContact OD2-NH2 3.39Å; C1070-R1072 PolarHBondContact O-N 2.64Å
1073	Y	84.6	Confident	78.2	Confident	25 Å²	25	66.9 Å²	66.9	10%	0.098	34%	0.335	C	S	.	.	H	α-helix	trans	-66.9	-45.7	176.7	179.4	-105.3	0	0	0	112.4	H590 P591 H919 M922 R1069 C1070 R1071	H590-Y1073 AromaticContact CE1-CE1 3.9Å; H590-Y1073 AromaticContact CE1-CZ 3.71Å; P591-Y1073 HydrophobicContact CB-CD1 4.15Å; P591-Y1073 HydrophobicContact CB-CD2 3.89Å; P591-Y1073 HydrophobicContact CB-CG 3.62Å; P591-Y1073 HydrophobicContact CG-CD2 3.91Å; P591-Y1073 HydrophobicContact CG-CE2 4.46Å; P591-Y1073 HydrophobicContact CG-CG 4.17Å; H919-Y1073 HydrophobicContact CB-CD1 3.91Å; H919-Y1073 HydrophobicContact CB-CD2 4.38Å; H919-Y1073 HydrophobicContact CB-CE1 3.42Å; H919-Y1073 VanDerWaalsContact CB-CE1 3.42Å; H919-Y1073 HydrophobicContact CB-CE2 3.96Å; H919-Y1073 HydrophobicContact CB-CG 4.35Å; H919-Y1073 VanDerWaalsContact CB-CZ 3.44Å; H919-Y1073 AromaticContact CD2-CD2 3.98Å; H919-Y1073 AromaticContact CD2-CE2 3.19Å; H919-Y1073 WeakPolarHBondContact CD2-CE2 3.42Å; H919-Y1073 AromaticContact CD2-CZ 3.32Å; H919-Y1073 PolarHBondContact CD2-OH 3.45Å; H919-Y1073 VanDerWaalsContact CD2-OH 3.28Å; H919-Y1073 AromaticContact CE1-CD2 3.75Å; H919-Y1073 AromaticContact CE1-CE2 3.69Å; H919-Y1073 AromaticContact CG-CD2 3.76Å; H919-Y1073 AromaticContact CG-CE1 3.8Å; H919-Y1073 AromaticContact CG-CE2 3.33Å; H919-Y1073 AromaticContact CG-CZ 3.33Å; H919-Y1073 AromaticContact ND1-CD2 3.62Å; H919-Y1073 AromaticContact ND1-CE2 3.65Å; H919-Y1073 PolarHBondContact ND1-O 3.27Å; H919-Y1073 AromaticContact NE2-CD2 3.98Å; H919-Y1073 AromaticContact NE2-CE2 3.44Å; H919-Y1073 WeakPolarHBondContact NE2-CE2 3.46Å; M922-Y1073 WeakPolarHBondContact CE-O 3.44Å; R1069-Y1073 VanDerWaalsContact O-CB 3.31Å; R1069-Y1073 WeakPolarHBondContact O-CB 3.31Å; R1069-Y1073 PolarHBondContact O-N 3.33Å; C1070-Y1073 WeakPolarHBondContact O-CB 3.46Å; C1070-Y1073 PolarHBondContact O-N 3.41Å; R1071-Y1073 VanDerWaalsContact C-N 3.31Å; R1071-Y1073 PolarHBondContact O-N 3.02Å
1074	T	83.7	Confident	77.9	Confident	5 Å²	5	67.7 Å²	67.7	3%	0.031	34%	0.338	C	S	.	.	H	α-helix	trans	-88.2	-21.9	-173.9	58.8	0	0	0	0	114.3	A915 C1070 R1071 R1076 L1079	A915-T1074 HydrophobicContact CB-CG2 3.62Å; C1070-T1074 WeakPolarHBondContact O-CG2 3.42Å; C1070-T1074 PolarHBondContact O-N 3.49Å; C1070-T1074 PolarHBondContact O-OG1 3.02Å; R1071-T1074 PolarHBondContact O-N 3.35Å; R1071-T1074 PolarHBondContact O-OG1 3.28Å; T1074-R1076 PolarHBondContact O-N 3.42Å; T1074-R1076 PolarHBondContact OG1-N 3.36Å; T1074-R1076 PolarHBondContact OG1-O 3.37Å; T1074-L1079 HydrophobicContact CG2-CD1 3.96Å
1075	G	76.9	Confident	77.6	Confident	60 Å²	60	64.8 Å²	64.8	62%	0.619	32%	0.321	S	S	*	.	S	Bend	trans	67.7	13.5	-171.7	0	0	0	0	0	114	R1071	R1071-G1075 WeakPolarHBondContact O-CA 3.26Å; R1071-G1075 PolarHBondContact O-N 3.14Å
1076	R	75.4	Confident	77.2	Confident	82 Å²	82	64.1 Å²	64.1	31%	0.309	32%	0.32	S	S	.	.			trans	-123.9	135.3	179.8	-67.6	-169.4	179.3	-169	3.4	111	E953 T1074 V1078	E953-R1076 IonicContact OE1-NH1 2.77Å; E953-R1076 IonicContact OE2-CZ 2.73Å; E953-R1076 IonicContact OE2-NH1 3.97Å; E953-R1076 PolarHBondContact OE2-NH1 3.32Å; T1074-R1076 PolarHBondContact O-N 3.42Å; T1074-R1076 PolarHBondContact OG1-N 3.36Å; T1074-R1076 PolarHBondContact OG1-O 3.37Å; R1076-V1078 VanDerWaalsContact C-N 3.31Å; R1076-V1078 PolarHBondContact O-N 3.23Å
1077	D	64.4	Low	76.8	Confident	130 Å²	130	69 Å²	69	70%	0.695	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-15.3	177.6	-73.1	-38.7	0	0	0	114.2	L1079	D1077-L1079 VanDerWaalsContact C-N 3.33Å; D1077-L1079 PolarHBondContact O-N 2.91Å
1078	V	57.4	Low	76.3	Confident	127 Å²	127	69.7 Å²	69.7	77%	0.77	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-8.9	-167.6	-170.8	0	0	0	0	113.1	R1076	R1076-V1078 VanDerWaalsContact C-N 3.31Å; R1076-V1078 PolarHBondContact O-N 3.23Å
1079	L	54.9	Low	75.7	Confident	18 Å²	18	70.2 Å²	70.2	9%	0.094	35%	0.349	C	S	.	.			trans	-98.9	0	-174.1	-73.9	164.4	0	0	0	115.1	K911 L914 F956 T1074 D1077	K911-L1079 WeakPolarHBondContact CE-OXT 3.43Å; K911-L1079 HydrophobicContact CG-CD2 4.48Å; K911-L1079 PolarHBondContact NZ-OXT 3.21Å; L914-L1079 HydrophobicContact CD2-CD2 3.66Å; L914-L1079 HydrophobicContact CG-CD1 4.29Å; L914-L1079 HydrophobicContact CG-CD2 4.05Å; F956-L1079 HydrophobicContact CE1-CD2 4.22Å; T1074-L1079 HydrophobicContact CG2-CD1 3.96Å; D1077-L1079 VanDerWaalsContact C-N 3.33Å; D1077-L1079 PolarHBondContact O-N 2.91Å

Retrieved 1,079 of 1,079 residues in 715.2 ms (Link to these results)

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