CNTP4_MOUSE Loading...

Contactin-associated protein-like 4

Presynaptic protein involved in both dopaminergic synaptic transmission and GABAergic system, thereby participating in the structural maturation of inhibitory interneuron synapses. Involved in the dopaminergic synaptic transmission by attenuating dopamine release through a presynaptic mechanism. Also participates in the GABAergic system.

AlphaFold DB , UniProt , Accession Q99P47, Species MOUSE (Mus musculus, Mouse), Gene Cntnap4, Length 1,310 aa.

						>CNTP4_MOUSE|Q99P47|Cntnap4
MNMGSVAGAVLKMLLLLSTQNWNRVEAGNSYDCDEPLVSALPQASFSSSSELSSSHGPGFARLNRRDGAGGWSPLVSNKYQWLQIDLGERMEVTSVATQGGYGSSNWVTSYLLMFSDSGRNWKQYRQEDSIWGFSGNANADSVVYYRLQPSIKARFLRFIPLEWNPKGRIGMRIEVFGCAYRSVVIDLDGKSSLLYRFDQNSLSPIRDIISLKFKTMESDGILLHRAGPAGDHITLELRRGKLFLLINSGDARLTSSSTLINLTLGSLLDDQHWHSVLIQRLGKQVNFTVDEHRRHFHAQGEFNYLDLDYEISFGGISAPAKSVSLPYKHFHGCLENLFYNGVDVIGLVKEHSPQIITMGNASFSCSQPQSMPLTFLSPRSYLVLPASTKEEAISASFQFRTWNKAGLLLFSELQLVSGSLLLLLSDGKLKLTLYQPGKSPSDITAGAGLGDGQWHSVSLSAKRNHLSVVVDGHISPASPWLGPEQVNSGGVFYFGGCPDKGFGSKCKSPLGGFQGCMRLISINNKMVDLIAVQQGALGNFSDLQIDSCGISDRCLPNSCEHGGECSQSWSTFHCNCTNTGYTGATCHSSVYEQSCEAYKHQGNASGFYYIDSDGSGPLQPFLLYCNMTETAWTVMQHNGSDLMRVRNTHSENAHTGVFEYTASMEQLQAAINRAEHCQQELVYYCKKSRLVNQQDGSPRSWWVGRTNETQTYWGGSLPVHQKCTCGLEGNCIDAQYHCNCDADLNEWTNDTGFLSYKEHLPVTKIVITDTGRPHSEAAYKLGPLLCRGDRPFWNAASFNTEASYLHFPTFHGELSADVSFFFKTTALSGVFLENLGITDFIRIELRSPTTVTFSFDVGNGPFELSVHSPTHFNDNQWHHVRVERNMKEASLRVDELPPKIQAAPTDGHVLLQLNSQLFVGGTATRQRGFLGCIRSLQLNGMALDLEERATVTPGVQPGCRGHCGSYGKLCRHGGKCREKPSGFFCDCSSSAYAGPFCSKEISAYFGSGSSVIYNFQENYSLSKNSSFHAASFHGDMKLSREMIKFSFRTTRAPSLLLHMSSFYKEYLSIIIAKNGSLQIRYKLNKYHEPDVISFDLKSMADGQLHHIKINREEGMVFVEIDENTRRQTYLSSGTEFSAVKSLVLGRMLEYSDVDQETALAAAHGFTGCLSAVQFSHIAPLKAALQPGPPAPVTVTGHVTESSCVAPSGTDATSRERTHSFADHSGTMDDREPLTHAIKSDSAVIGGLIAVVIFILLCVSAIAVRIYQQKRLYKRNEAKRSENVDSAEAVLKSELHIQNAVGENQKEYFF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	43.8	Very low	247 Å²	247	110.4 Å²	110.4	100%	1.217	69%	0.69	S	S	*	*				0	138	0	-86.9	167.3	77.9	0	0	108.8
2	N	34.5	Very low	44.4	Very low	151 Å²	151	114.1 Å²	114.1	81%	0.807	69%	0.689	S	S	*	*			trans	-30.1	135	-170.8	-73.9	-16.9	0	0	0	120
3	M	32	Very low	44.3	Very low	171 Å²	171	114.2 Å²	114.2	84%	0.842	68%	0.68	S	S	*	*			trans	58.1	70.5	136.7	-61.5	178.3	83.1	0	0	117.9
4	G	38.9	Very low	44.3	Very low	74 Å²	74	113.6 Å²	113.6	76%	0.763	67%	0.671	S	S	*	*			trans	-99	-6.6	165.4	0	0	0	0	0	116.1
5	S	49.4	Very low	44.2	Very low	105 Å²	105	113.2 Å²	113.2	73%	0.734	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	-0.8	-162.7	75.7	0	0	0	0	117.8
6	V	46.7	Very low	44.1	Very low	94 Å²	94	113.6 Å²	113.6	57%	0.57	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.7	-32.1	177.5	-175.7	0	0	0	0	112.2	G8 A9 V10	V6-G8 VanDerWaalsContact C-N 3.33Å; V6-G8 PolarHBondContact O-N 2.7Å; V6-A9 PolarHBondContact O-N 3.41Å; V6-V10 HydrophobicContact CG1-CG2 4.2Å; V6-V10 WeakPolarHBondContact O-CG2 3.39Å; V6-V10 PolarHBondContact O-N 3.12Å; V6-V10 VanDerWaalsContact O-N 3.08Å
7	A	46	Very low	43.6	Very low	76 Å²	76	112.8 Å²	112.8	63%	0.628	65%	0.653	S	S	*	*	H	α-helix	trans	-64.5	-35.7	178.6	0	0	0	0	0	112.7	L11	A7-L11 WeakPolarHBondContact O-CB 3.4Å; A7-L11 PolarHBondContact O-N 3.14Å
8	G	47.6	Very low	43.1	Very low	46 Å²	46	110.8 Å²	110.8	47%	0.474	65%	0.647	S	S	.	*	H	α-helix	trans	-69.4	-33.5	177.6	0	0	0	0	0	113.9	V6 K12	V6-G8 VanDerWaalsContact C-N 3.33Å; V6-G8 PolarHBondContact O-N 2.7Å; G8-K12 PolarHBondContact O-N 3.09Å; G8-K12 VanDerWaalsContact O-N 3.15Å
9	A	50.7	Low	42.5	Very low	62 Å²	62	109.2 Å²	109.2	51%	0.512	64%	0.638	S	S	.	*	H	α-helix	trans	-74.1	-40.6	176.8	0	0	0	0	0	111.2	V6 K12 M13	V6-A9 PolarHBondContact O-N 3.41Å; A9-K12 PolarHBondContact O-N 3.12Å; A9-M13 WeakPolarHBondContact O-CB 3.33Å; A9-M13 PolarHBondContact O-N 2.93Å
10	V	53.5	Low	42	Very low	75 Å²	75	111.5 Å²	111.5	46%	0.455	64%	0.643	S	S	.	*	H	α-helix	trans	-68.9	-36	176.4	178.3	0	0	0	0	111.3	V6 M13 L14	V6-V10 HydrophobicContact CG1-CG2 4.2Å; V6-V10 WeakPolarHBondContact O-CG2 3.39Å; V6-V10 PolarHBondContact O-N 3.12Å; V6-V10 VanDerWaalsContact O-N 3.08Å; V10-M13 PolarHBondContact O-N 3.34Å; V10-L14 HydrophobicContact CG1-CD1 3.81Å; V10-L14 HydrophobicContact CG1-CG 4.4Å; V10-L14 WeakPolarHBondContact O-CB 3.15Å; V10-L14 WeakPolarHBondContact O-CG 3.25Å; V10-L14 PolarHBondContact O-N 3.47Å
11	L	49.1	Very low	41.4	Very low	113 Å²	113	112.6 Å²	112.6	59%	0.592	65%	0.647	S	S	*	*	H	α-helix	trans	-67.5	-37	175.1	-149.7	80.1	0	0	0	111.8	A7 L14 L15	A7-L11 WeakPolarHBondContact O-CB 3.4Å; A7-L11 PolarHBondContact O-N 3.14Å; L11-L14 PolarHBondContact O-N 3.48Å; L11-L15 WeakPolarHBondContact O-CB 3.02Å; L11-L15 WeakPolarHBondContact O-CD1 3.13Å; L11-L15 PolarHBondContact O-N 3.33Å
12	K	50.8	Low	41	Very low	155 Å²	155	110.5 Å²	110.5	67%	0.674	63%	0.625	S	S	*	*	H	α-helix	trans	-67.9	-36.8	171.1	-85	-172.4	174.1	-174.7	0	112.7	G8 A9 L15 L16	G8-K12 PolarHBondContact O-N 3.09Å; G8-K12 VanDerWaalsContact O-N 3.15Å; A9-K12 PolarHBondContact O-N 3.12Å; K12-L15 PolarHBondContact O-N 3.43Å; K12-L16 WeakPolarHBondContact O-CB 3.47Å; K12-L16 PolarHBondContact O-N 2.84Å
13	M	42.6	Very low	40.7	Very low	116 Å²	116	109.7 Å²	109.7	57%	0.571	62%	0.621	S	S	*	*	H	α-helix	trans	-68.8	-37.6	175.6	-125.7	-75.8	-175.3	0	0	111.6	A9 V10 L16 L17	A9-M13 WeakPolarHBondContact O-CB 3.33Å; A9-M13 PolarHBondContact O-N 2.93Å; V10-M13 PolarHBondContact O-N 3.34Å; M13-L16 PolarHBondContact O-N 3.09Å; M13-L17 WeakPolarHBondContact O-CB 3.46Å; M13-L17 WeakPolarHBondContact O-CG 3.34Å; M13-L17 PolarHBondContact O-N 3.07Å; M13-L17 HydrophobicContact SD-CD1 3.58Å; M13-L17 VanDerWaalsContact SD-CD1 3.58Å; M13-L17 HydrophobicContact SD-CG 4.04Å
14	L	44.7	Very low	40.5	Very low	105 Å²	105	111.9 Å²	111.9	55%	0.55	62%	0.62	S	S	.	*	H	α-helix	trans	-70	-32.4	173.2	-78.3	161.6	0	0	0	112.5	V10 L11 S18	V10-L14 HydrophobicContact CG1-CD1 3.81Å; V10-L14 HydrophobicContact CG1-CG 4.4Å; V10-L14 WeakPolarHBondContact O-CB 3.15Å; V10-L14 WeakPolarHBondContact O-CG 3.25Å; V10-L14 PolarHBondContact O-N 3.47Å; L11-L14 PolarHBondContact O-N 3.48Å; L14-S18 WeakPolarHBondContact O-CB 3.38Å; L14-S18 PolarHBondContact O-N 3.46Å; L14-S18 PolarHBondContact O-OG 3.28Å
15	L	43.5	Very low	40	Very low	108 Å²	108	113.9 Å²	113.9	57%	0.565	62%	0.617	S	S	*	*	H	α-helix	trans	-73.6	-25.6	170.8	-91.4	147.1	0	0	0	113.1	L11 K12 S18	L11-L15 WeakPolarHBondContact O-CB 3.02Å; L11-L15 WeakPolarHBondContact O-CD1 3.13Å; L11-L15 PolarHBondContact O-N 3.33Å; K12-L15 PolarHBondContact O-N 3.43Å; L15-S18 PolarHBondContact O-OG 3.35Å; L15-S18 VanDerWaalsContact O-OG 3.12Å
16	L	41.4	Very low	39.1	Very low	119 Å²	119	116.3 Å²	116.3	62%	0.623	62%	0.617	S	S	*	*	H	α-helix	trans	-80	-36.1	171	-85.3	152.2	0	0	0	111.6	K12 M13 S18 T19	K12-L16 WeakPolarHBondContact O-CB 3.47Å; K12-L16 PolarHBondContact O-N 2.84Å; M13-L16 PolarHBondContact O-N 3.09Å; L16-S18 VanDerWaalsContact C-N 3.3Å; L16-S18 PolarHBondContact O-N 2.84Å; L16-T19 PolarHBondContact O-N 2.91Å; L16-T19 PolarHBondContact O-OG1 3.03Å
17	L	35.5	Very low	38.4	Very low	101 Å²	101	116.4 Å²	116.4	53%	0.529	63%	0.628	S	S	.	*	H	α-helix	trans	-73.9	-18.1	174.5	-75.7	161.1	0	0	0	113.2	M13 T19	M13-L17 WeakPolarHBondContact O-CB 3.46Å; M13-L17 WeakPolarHBondContact O-CG 3.34Å; M13-L17 PolarHBondContact O-N 3.07Å; M13-L17 HydrophobicContact SD-CD1 3.58Å; M13-L17 VanDerWaalsContact SD-CD1 3.58Å; M13-L17 HydrophobicContact SD-CG 4.04Å; L17-T19 VanDerWaalsContact C-N 3.26Å; L17-T19 PolarHBondContact O-N 3.23Å
18	S	34.4	Very low	37.6	Very low	77 Å²	77	115.8 Å²	115.8	54%	0.538	63%	0.629	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.5	0.7	172.3	69.9	0	0	0	0	114.5	L14 L15 L16	L14-S18 WeakPolarHBondContact O-CB 3.38Å; L14-S18 PolarHBondContact O-N 3.46Å; L14-S18 PolarHBondContact O-OG 3.28Å; L15-S18 PolarHBondContact O-OG 3.35Å; L15-S18 VanDerWaalsContact O-OG 3.12Å; L16-S18 VanDerWaalsContact C-N 3.3Å; L16-S18 PolarHBondContact O-N 2.84Å
19	T	32.9	Very low	37	Very low	79 Å²	79	119.6 Å²	119.6	49%	0.485	64%	0.638	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.2	-0.8	176.5	62.5	0	0	0	0	114.7	L16 L17 N21	L16-T19 PolarHBondContact O-N 2.91Å; L16-T19 PolarHBondContact O-OG1 3.03Å; L17-T19 VanDerWaalsContact C-N 3.26Å; L17-T19 PolarHBondContact O-N 3.23Å; T19-N21 PolarHBondContact O-N 3.46Å
20	Q	31.6	Very low	36.5	Very low	155 Å²	155	122.7 Å²	122.7	72%	0.724	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	8.6	-175.8	-82	-168.6	-17.7	0	0	116.3
21	N	29.7	Very low	36.6	Very low	136 Å²	136	128 Å²	128	73%	0.727	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132	32.1	176.1	-99.7	-21.6	0	0	0	114.5	T19 N23	T19-N21 PolarHBondContact O-N 3.46Å; N21-N23 PolarHBondContact O-N 2.87Å
22	W	26.3	Very low	37.9	Very low	203 Å²	203	128 Å²	128	77%	0.769	67%	0.67	S	S	*	*			trans	-79.2	15.6	164.9	-79.4	4.4	0	0	0	114.3	R24	W22-R24 PolarHBondContact O-N 3.13Å
23	N	27.8	Very low	39.8	Very low	133 Å²	133	121.7 Å²	121.7	71%	0.711	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	20.3	162.1	-77.8	-9.1	0	0	0	113	N21	N21-N23 PolarHBondContact O-N 2.87Å
24	R	26.6	Very low	42.2	Very low	217 Å²	217	117.9 Å²	117.9	82%	0.819	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127	15.2	176.1	-93.6	-171.4	177.5	-176.5	0.1	115	W22	W22-R24 PolarHBondContact O-N 3.13Å
25	V	28.5	Very low	44.6	Very low	117 Å²	117	118.9 Å²	118.9	71%	0.709	63%	0.628	S	S	*	*	S	Bend	trans	-92.4	-6.7	173	-177.3	0	0	0	0	112.7
26	E	32	Very low	47.1	Very low	156 Å²	156	116.7 Å²	116.7	73%	0.729	62%	0.621	S	S	*	*	S	Bend	trans	-96.3	122.1	160.7	-75	-178.1	161.4	0	0	109.1
27	A	32	Very low	49.7	Very low	96 Å²	96	112.1 Å²	112.1	79%	0.793	60%	0.597	S	S	*	*			trans	71.2	66.3	-176.9	0	0	0	0	0	116.1
28	G	28.5	Very low	52.4	Low	63 Å²	63	107.3 Å²	107.3	65%	0.649	57%	0.572	S	S	*	*			trans	-58.4	143.9	151	0	0	0	0	0	111
29	N	34.6	Very low	55	Low	125 Å²	125	106.2 Å²	106.2	67%	0.668	56%	0.564	S	S	*	*	S	Bend	trans	69.4	124.8	-169.9	-73.1	-12.3	0	0	0	114.9	Y31	N29-Y31 HydrophobicContact CB-CD2 3.54Å; N29-Y31 HydrophobicContact CB-CE2 3.8Å; N29-Y31 PolarHBondContact O-N 3.14Å
30	S	39.7	Very low	57.6	Low	128 Å²	128	107 Å²	107	90%	0.895	58%	0.578	S	S	*	*			trans	-57.6	68.9	155.2	169.7	0	0	0	0	109.1	D32	S30-D32 PolarHBondContact O-N 2.69Å
31	Y	55.9	Low	60.6	Low	187 Å²	187	100.7 Å²	100.7	73%	0.733	55%	0.55	S	S	*	.			trans	-71	105	165.7	-96.5	-83.6	0	0	0	105.8	N29 C33	N29-Y31 HydrophobicContact CB-CD2 3.54Å; N29-Y31 HydrophobicContact CB-CE2 3.8Å; N29-Y31 PolarHBondContact O-N 3.14Å; Y31-C33 PolarHBondContact O-N 2.99Å; Y31-C33 VanDerWaalsContact O-N 3.09Å
32	D	77.2	Confident	63.6	Low	113 Å²	113	98 Å²	98	60%	0.604	54%	0.539	S	S	*	.			trans	-69.2	102.9	167	-150.9	6.5	0	0	0	106.3	S30 D34	S30-D32 PolarHBondContact O-N 2.69Å; D32-D34 PolarHBondContact O-N 3.3Å
33	C	91.2	Very high	66.7	Low	21 Å²	21	93.8 Å²	93.8	14%	0.142	53%	0.528	C	S	.	.			trans	-80.2	56.8	-177.8	-175.1	0	0	0	0	109.6	Y31 T94 G178 C179	Y31-C33 PolarHBondContact O-N 2.99Å; Y31-C33 VanDerWaalsContact O-N 3.09Å; C33-T94 HydrophobicContact CB-CG2 4.22Å; C33-T94 WeakPolarHBondContact O-CB 3.49Å; C33-T94 WeakPolarHBondContact O-CG2 3.37Å; C33-T94 PolarHBondContact O-OG1 3.34Å; C33-G178 WeakPolarHBondContact O-CA 3.35Å; C33-C179 HydrophobicContact CB-CB 3.96Å; C33-C179 WeakPolarHBondContact CB-SG 3.41Å; C33-C179 WeakPolarHBondContact SG-CB 3.44Å; C33-C179 PolarHBondContact SG-N 2.94Å; C33-C179 CovalentContact SG-SG 2.05Å; C33-C179 PolarHBondContact SG-SG 3.13Å
34	D	92.5	Very high	69.9	Low	37 Å²	37	92.1 Å²	92.1	20%	0.198	53%	0.533	C	S	.	.			trans	-133.9	27.5	-172.4	-79.4	-31.4	0	0	0	111.8	D32 T94 R147 F177	D32-D34 PolarHBondContact O-N 3.3Å; D34-T94 WeakPolarHBondContact OD1-CB 3.46Å; D34-T94 PolarHBondContact OD1-OG1 3.08Å; D34-R147 IonicContact OD1-NH1 2.76Å; D34-R147 PolarHBondContact OD1-NH1 2.97Å; D34-R147 IonicContact OD2-CZ 2.74Å; D34-R147 IonicContact OD2-NH1 3.06Å; D34-R147 PolarHBondContact OD2-NH1 2.84Å; D34-R147 IonicContact OD2-NH2 3.91Å; D34-R147 PolarHBondContact OD2-NH2 3.14Å; D34-F177 WeakPolarHBondContact O-CD1 3.32Å
35	E	94.8	Very high	73.2	Confident	125 Å²	125	82.4 Å²	82.4	58%	0.584	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	142.5	178.8	-66	-65.4	153	0	0	111.8	L37 F177 G178	E35-L37 PolarHBondContact O-N 2.85Å; E35-F177 CarbonylContact O-C 3.47Å; E35-F177 VanDerWaalsContact O-CA 3.24Å; E35-F177 WeakPolarHBondContact O-CA 3.41Å; E35-G178 WeakPolarHBondContact CB-O 3.22Å; E35-G178 PolarHBondContact N-O 2.79Å; E35-G178 PolarHBondContact O-N 3.3Å
36	P	95.9	Very high	76.5	Confident	62 Å²	62	77.5 Å²	77.5	40%	0.403	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	125.7	177.8	28.3	-33.6	0	0	0	111.6	E175 F177	P36-E175 HydrophobicContact CB-CG 4.23Å; P36-F177 HydrophobicContact CB-CD1 4.2Å; P36-F177 HydrophobicContact CB-CE1 4.06Å
37	L	95.5	Very high	79.6	Confident	24 Å²	24	72 Å²	72	13%	0.126	45%	0.446	C	S	.	.	S	Bend	trans	-101.8	-26	-173.1	-52.9	-178.9	0	0	0	113.2	E35 L41 L87 M91 V93 E175 V176	E35-L37 PolarHBondContact O-N 2.85Å; L37-L41 VanDerWaalsContact O-CG 3.29Å; L37-L41 WeakPolarHBondContact O-CG 3.48Å; L37-L87 HydrophobicContact CB-CD2 4.17Å; L37-L87 HydrophobicContact CD1-CD1 4.45Å; L37-M91 HydrophobicContact CD1-CB 4.15Å; L37-M91 HydrophobicContact CD1-CE 4.4Å; L37-M91 HydrophobicContact CD1-CG 4.42Å; L37-M91 HydrophobicContact CD2-CE 3.85Å; L37-V93 HydrophobicContact CD1-CG2 4.32Å; L37-E175 PolarHBondContact N-OE1 3.35Å; L37-V176 WeakPolarHBondContact CB-O 3.29Å; L37-V176 HydrophobicContact CD1-CG1 4.31Å; L37-V176 PolarHBondContact N-O 2.61Å
38	V	93.9	Very high	82.6	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	42%	0.416	C	S	.	.	S	Bend	trans	-87.5	-35.3	-173.4	-177.2	0	0	0	0	112.2	A40 L41 F46 R62 I85 E175 V176	V38-A40 PolarHBondContact O-N 2.84Å; V38-A40 VanDerWaalsContact O-N 3.11Å; V38-L41 PolarHBondContact O-N 3.29Å; V38-F46 HydrophobicContact CG1-CE1 3.57Å; V38-F46 HydrophobicContact CG1-CZ 3.37Å; V38-R62 HydrophobicContact CG1-CG 4.35Å; V38-I85 HydrophobicContact CG2-CD1 3.75Å; V38-E175 WeakPolarHBondContact CA-OE1 3.06Å; V38-E175 WeakPolarHBondContact CB-OE1 3.33Å; V38-E175 WeakPolarHBondContact CG2-OE1 3.39Å; V38-E175 PolarHBondContact N-OE1 3.31Å; V38-V176 HydrophobicContact CG2-CB 3.72Å; V38-V176 HydrophobicContact CG2-CG2 3.74Å
39	S	87.9	Confident	85.6	Confident	54 Å²	54	67.4 Å²	67.4	38%	0.378	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-32.6	-175.6	-80.8	0	0	0	0	114.3	E175	S39-E175 WeakPolarHBondContact CB-OE2 3.21Å; S39-E175 PolarHBondContact N-OE2 3.1Å; S39-E175 PolarHBondContact OG-OE2 3.07Å
40	A	87.1	Confident	88.4	Confident	94 Å²	94	62.9 Å²	62.9	78%	0.777	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-6.4	-179.3	0	0	0	0	0	114.5	V38	V38-A40 PolarHBondContact O-N 2.84Å; V38-A40 VanDerWaalsContact O-N 3.11Å
41	L	94.4	Very high	91.1	Very high	24 Å²	24	61 Å²	61	13%	0.126	35%	0.354	C	S	.	.			trans	-72.2	140.4	-175	-68	174.7	0	0	0	112.5	L37 V38 F46 R62 L87	L37-L41 VanDerWaalsContact O-CG 3.29Å; L37-L41 WeakPolarHBondContact O-CG 3.48Å; V38-L41 PolarHBondContact O-N 3.29Å; L41-F46 HydrophobicContact CB-CE2 3.81Å; L41-F46 HydrophobicContact CB-CZ 4.3Å; L41-R62 PolarHBondContact O-NH2 3.44Å; L41-L87 HydrophobicContact CD1-CD2 4.06Å
42	P	94.4	Very high	93	Very high	79 Å²	79	54.7 Å²	54.7	51%	0.513	33%	0.333	S	S	.	.			trans	-65.8	159.9	174.3	29.8	-35.5	0	0	0	111.3	A44 S45 F46	P42-A44 PolarHBondContact O-N 2.95Å; P42-S45 WeakPolarHBondContact CD-OG 3.32Å; P42-S45 WeakPolarHBondContact O-CB 3.42Å; P42-S45 PolarHBondContact O-N 2.84Å; P42-F46 WeakPolarHBondContact O-CD2 3.28Å
43	Q	91.1	Very high	93.9	Very high	114 Å²	114	51.3 Å²	51.3	53%	0.533	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-60.5	-29.3	-179.8	-170.3	151.5	47.6	0	0	113.2	S45 F46	Q43-S45 PolarHBondContact O-N 2.67Å; Q43-F46 PolarHBondContact O-N 2.93Å; Q43-F46 VanDerWaalsContact O-N 3.15Å
44	A	94	Very high	94	Very high	98 Å²	98	55.3 Å²	55.3	81%	0.81	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-65.6	-18.7	175.9	0	0	0	0	0	114	P42 F46	P42-A44 PolarHBondContact O-N 2.95Å; A44-F46 PolarHBondContact O-N 3.14Å
45	S	97.2	Very high	94.1	Very high	14 Å²	14	55.7 Å²	55.7	10%	0.098	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-73.6	-10.9	174.3	-70.3	0	0	0	0	113.2	P42 Q43 I85 D86	P42-S45 WeakPolarHBondContact CD-OG 3.32Å; P42-S45 WeakPolarHBondContact O-CB 3.42Å; P42-S45 PolarHBondContact O-N 2.84Å; Q43-S45 PolarHBondContact O-N 2.67Å; S45-I85 CarbonylContact O-C 3.59Å; S45-I85 WeakPolarHBondContact O-CA 3.35Å; S45-D86 VanDerWaalsContact CB-O 3.23Å; S45-D86 WeakPolarHBondContact CB-O 3.37Å; S45-D86 PolarHBondContact O-N 2.88Å; S45-D86 PolarHBondContact OG-O 3.05Å
46	F	97.2	Very high	94.2	Very high	13 Å²	13	51.3 Å²	51.3	6%	0.057	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	133.2	-176	-63.4	-104.9	0	0	0	110.3	V38 L41 P42 Q43 A44 P58 R62 Q84 I85	V38-F46 HydrophobicContact CG1-CE1 3.57Å; V38-F46 HydrophobicContact CG1-CZ 3.37Å; L41-F46 HydrophobicContact CB-CE2 3.81Å; L41-F46 HydrophobicContact CB-CZ 4.3Å; P42-F46 WeakPolarHBondContact O-CD2 3.28Å; Q43-F46 PolarHBondContact O-N 2.93Å; Q43-F46 VanDerWaalsContact O-N 3.15Å; A44-F46 PolarHBondContact O-N 3.14Å; F46-P58 HydrophobicContact CB-CB 4.01Å; F46-P58 HydrophobicContact CB-CG 4.41Å; F46-P58 WeakPolarHBondContact CD1-O 3.37Å; F46-R62 HydrophobicContact CE1-CG 4.29Å; F46-R62 HydrophobicContact CZ-CG 3.98Å; F46-Q84 WeakPolarHBondContact CA-O 3.05Å; F46-I85 HydrophobicContact CD1-CG2 3.67Å; F46-I85 HydrophobicContact CE1-CG2 3.72Å; F46-I85 HydrophobicContact CG-CG2 4.42Å
47	S	96.1	Very high	94.1	Very high	41 Å²	41	48.5 Å²	48.5	29%	0.287	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	160.4	173.4	54.4	0	0	0	0	110.3	Q84	S47-Q84 PolarHBondContact N-O 2.99Å; S47-Q84 PolarHBondContact O-N 3.49Å; S47-Q84 VanDerWaalsContact O-O 3.12Å; S47-Q84 WeakPolarHBondContact OG-CB 3.39Å
48	S	94.9	Very high	94.2	Very high	23 Å²	23	48.1 Å²	48.1	16%	0.161	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	166.4	177.4	54.2	0	0	0	0	111.4	S50 W72 W82	S48-S50 VanDerWaalsContact C-N 3.27Å; S48-S50 WeakPolarHBondContact CB-O 3.3Å; S48-S50 PolarHBondContact O-N 2.87Å; S48-S50 PolarHBondContact OG-O 3.21Å; S48-W72 PolarHBondContact OG-NE1 3.28Å; S48-W82 VanDerWaalsContact CA-O 3.25Å; S48-W82 WeakPolarHBondContact CA-O 3.24Å; S48-W82 WeakPolarHBondContact CB-O 3.46Å; S48-W82 WeakPolarHBondContact O-CH2 3.34Å
49	S	92.7	Very high	94.2	Very high	39 Å²	39	48.2 Å²	48.2	27%	0.273	31%	0.313	S	S	.	.	S	Bend	trans	-57.8	-39.8	172	49.7	0	0	0	0	112.9	Q81 W82	S49-Q81 WeakPolarHBondContact OG-CA 3.37Å; S49-Q81 PolarHBondContact OG-OE1 2.97Å; S49-W82 PolarHBondContact N-O 2.76Å; S49-W82 PolarHBondContact OG-N 2.82Å; S49-W82 PolarHBondContact OG-O 2.82Å
50	S	93.7	Very high	94.6	Very high	31 Å²	31	47.8 Å²	47.8	22%	0.217	31%	0.305	C	S	.	.			trans	-162.9	174.9	176.4	63.2	0	0	0	0	110	S48 W72 P74 L75 Q81	S48-S50 VanDerWaalsContact C-N 3.27Å; S48-S50 WeakPolarHBondContact CB-O 3.3Å; S48-S50 PolarHBondContact O-N 2.87Å; S48-S50 PolarHBondContact OG-O 3.21Å; S50-W72 PolarHBondContact O-NE1 2.98Å; S50-P74 WeakPolarHBondContact OG-CB 3.35Å; S50-L75 PolarHBondContact OG-N 3.33Å; S50-Q81 PolarHBondContact OG-OE1 2.83Å
51	E	95.4	Very high	95	Very high	88 Å²	88	43.3 Å²	43.3	41%	0.411	27%	0.268	S	S	.	.			trans	-135.6	141.8	171.4	59.9	-178.9	-149.9	0	0	109.9	G57	E51-G57 WeakPolarHBondContact OE2-CA 3.34Å
52	L	95.4	Very high	95	Very high	55 Å²	55	43.4 Å²	43.4	29%	0.288	27%	0.266	S	S	.	.	S	Bend	trans	-68.5	-37.6	179.7	179.2	61.8	0	0	0	112.2	H56 S73	L52-H56 HydrophobicContact CB-CB 4.01Å; L52-S73 PolarHBondContact N-O 3.33Å
53	S	96	Very high	95.1	Very high	42 Å²	42	40.6 Å²	40.6	29%	0.294	25%	0.247	S	C	.	.	S	Bend	trans	-158.9	171.5	174.4	68.4	0	0	0	0	108.9	S55 H56 G57	S53-S55 PolarHBondContact O-N 2.81Å; S53-S55 PolarHBondContact OG-N 3.2Å; S53-S55 PolarHBondContact OG-OG 3.29Å; S53-H56 PolarHBondContact O-N 3.34Å; S53-H56 PolarHBondContact OG-ND1 3.23Å; S53-G57 PolarHBondContact O-N 2.93Å
54	S	94	Very high	95.2	Very high	104 Å²	104	40 Å²	40	73%	0.727	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-19.2	174.7	56.8	0	0	0	0	114.1	F60	S54-F60 WeakPolarHBondContact O-CE2 3.34Å
55	S	94.8	Very high	95	Very high	45 Å²	45	40.9 Å²	40.9	32%	0.315	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-7.8	174.6	57.9	0	0	0	0	114.4	S53 F60 A69	S53-S55 PolarHBondContact O-N 2.81Å; S53-S55 PolarHBondContact OG-N 3.2Å; S53-S55 PolarHBondContact OG-OG 3.29Å; S55-F60 VanDerWaalsContact O-CD2 3.3Å; S55-F60 WeakPolarHBondContact O-CD2 3.4Å; S55-A69 WeakPolarHBondContact O-CB 3.33Å; S55-A69 PolarHBondContact O-N 3.1Å
56	H	95.9	Very high	94.8	Very high	33 Å²	33	47.8 Å²	47.8	15%	0.153	25%	0.254	C	S	.	.	S	Bend	trans	-111.2	17.3	176.1	-64.8	86.3	0	0	0	112.4	L52 S53 A69 W72 S73	L52-H56 HydrophobicContact CB-CB 4.01Å; S53-H56 PolarHBondContact O-N 3.34Å; S53-H56 PolarHBondContact OG-ND1 3.23Å; H56-A69 WeakPolarHBondContact CE1-CB 3.42Å; H56-A69 VanDerWaalsContact NE2-CB 3.28Å; H56-A69 WeakPolarHBondContact NE2-CB 3.33Å; H56-W72 WeakPolarHBondContact O-CA 3.37Å; H56-W72 VanDerWaalsContact O-CD1 3.29Å; H56-S73 PolarHBondContact O-N 2.97Å
57	G	95.8	Very high	94.4	Very high	4 Å²	4	50.8 Å²	50.8	4%	0.041	27%	0.27	C	S	.	.			trans	-60.9	159.3	179.7	0	0	0	0	0	113.2	E51 S53 G59 F60	E51-G57 WeakPolarHBondContact OE2-CA 3.34Å; S53-G57 PolarHBondContact O-N 2.93Å; G57-G59 PolarHBondContact O-N 2.9Å; G57-G59 VanDerWaalsContact O-N 3.13Å; G57-F60 PolarHBondContact O-N 2.95Å
58	P	96	Very high	94.1	Very high	16 Å²	16	51.1 Å²	51.1	10%	0.104	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-61	-28.2	-174.2	26.4	-35.9	0	0	0	112.7	F46 F60 A61 L83	F46-P58 HydrophobicContact CB-CB 4.01Å; F46-P58 HydrophobicContact CB-CG 4.41Å; F46-P58 WeakPolarHBondContact CD1-O 3.37Å; P58-F60 PolarHBondContact O-N 3.36Å; P58-F60 VanDerWaalsContact O-N 3.13Å; P58-A61 WeakPolarHBondContact O-CB 3.29Å; P58-A61 PolarHBondContact O-N 2.82Å; P58-L83 HydrophobicContact CB-CD1 3.65Å
59	G	94.7	Very high	94	Very high	2 Å²	2	51.9 Å²	51.9	2%	0.021	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-65.2	-8.5	175.4	0	0	0	0	0	115.6	G57 R62	G57-G59 PolarHBondContact O-N 2.9Å; G57-G59 VanDerWaalsContact O-N 3.13Å; G59-R62 PolarHBondContact O-NH1 2.77Å
60	F	95.2	Very high	94.1	Very high	45 Å²	45	50.1 Å²	50.1	20%	0.197	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-93.9	-1.4	172.5	-61	-66.1	0	0	0	113	S54 S55 G57 P58 R62 D67	S54-F60 WeakPolarHBondContact O-CE2 3.34Å; S55-F60 VanDerWaalsContact O-CD2 3.3Å; S55-F60 WeakPolarHBondContact O-CD2 3.4Å; G57-F60 PolarHBondContact O-N 2.95Å; P58-F60 PolarHBondContact O-N 3.36Å; P58-F60 VanDerWaalsContact O-N 3.13Å; F60-R62 PolarHBondContact O-N 3.02Å; F60-D67 HydrophobicContact CD1-CB 3.74Å; F60-D67 HydrophobicContact CE1-CB 4.08Å
61	A	95.5	Very high	94.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.266	C	S	.	.			trans	-78	39.4	-176.8	0	0	0	0	0	114.3	P58 W72 L83 I174	P58-A61 WeakPolarHBondContact O-CB 3.29Å; P58-A61 PolarHBondContact O-N 2.82Å; A61-W72 HydrophobicContact CB-CB 3.71Å; A61-L83 HydrophobicContact CB-CD1 3.99Å; A61-L83 HydrophobicContact CB-CD2 3.47Å; A61-L83 VanDerWaalsContact CB-CD2 3.47Å; A61-L83 HydrophobicContact CB-CG 4.37Å; A61-I174 VanDerWaalsContact O-CG1 3.24Å; A61-I174 WeakPolarHBondContact O-CG1 3.24Å; A61-I174 PolarHBondContact O-N 3.3Å
62	R	95.8	Very high	94.2	Very high	25 Å²	25	44.5 Å²	44.5	9%	0.094	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-96.5	134.7	177.6	-65.4	-170.7	-173.8	75.3	3.1	110.9	V38 L41 F46 G59 F60 R65 R173	V38-R62 HydrophobicContact CG1-CG 4.35Å; L41-R62 PolarHBondContact O-NH2 3.44Å; F46-R62 HydrophobicContact CE1-CG 4.29Å; F46-R62 HydrophobicContact CZ-CG 3.98Å; G59-R62 PolarHBondContact O-NH1 2.77Å; F60-R62 PolarHBondContact O-N 3.02Å; R62-R65 HydrophobicContact CB-CB 4.1Å; R62-R65 HydrophobicContact CB-CG 3.76Å; R62-R65 WeakPolarHBondContact O-CB 3.23Å; R62-R65 PolarHBondContact O-N 3.07Å; R62-R173 WeakPolarHBondContact O-CB 3.18Å; R62-R173 WeakPolarHBondContact O-CD 3.04Å
63	L	95	Very high	94.4	Very high	20 Å²	20	42 Å²	42	11%	0.105	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	140.6	178.8	-165.4	74.1	0	0	0	111.5	R65 A97 Q99 V143 I174 E175	L63-R65 PolarHBondContact O-N 2.84Å; L63-A97 HydrophobicContact CD1-CB 4.43Å; L63-A97 HydrophobicContact CD2-CB 4.01Å; L63-Q99 HydrophobicContact CD1-CB 3.9Å; L63-Q99 HydrophobicContact CD1-CG 3.92Å; L63-V143 HydrophobicContact CD1-CG1 4.11Å; L63-V143 HydrophobicContact CD1-CG2 4.17Å; L63-V143 HydrophobicContact CD2-CG1 4.17Å; L63-V143 HydrophobicContact CD2-CG2 4.42Å; L63-I174 PolarHBondContact N-O 3.16Å; L63-E175 HydrophobicContact CB-CB 3.69Å; L63-E175 HydrophobicContact CD2-CB 3.72Å; L63-E175 HydrophobicContact CD2-CG 4.49Å; L63-E175 HydrophobicContact CG-CB 4.27Å
64	N	93.2	Very high	94.4	Very high	103 Å²	103	40 Å²	40	55%	0.551	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	-1.2	-179.8	-63.7	-46.1	0	0	0	116.4	Q99	N64-Q99 PolarHBondContact OD1-NE2 3.49Å; N64-Q99 PolarHBondContact OD1-OE1 2.86Å
65	R	91.3	Very high	94.5	Very high	116 Å²	116	39.8 Å²	39.8	44%	0.438	21%	0.21	S	C	.	.			trans	-80.1	151.8	175.5	-66.7	-128.8	-177.8	-172.4	2	111.2	R62 L63 D67 R173	R62-R65 HydrophobicContact CB-CB 4.1Å; R62-R65 HydrophobicContact CB-CG 3.76Å; R62-R65 WeakPolarHBondContact O-CB 3.23Å; R62-R65 PolarHBondContact O-N 3.07Å; L63-R65 PolarHBondContact O-N 2.84Å; R65-D67 WeakPolarHBondContact CD-OD2 3.28Å; R65-D67 IonicContact NH1-OD2 2.97Å; R65-D67 PolarHBondContact NH1-OD2 2.98Å; R65-R173 VanDerWaalsContact O-CD 3.25Å; R65-R173 WeakPolarHBondContact O-CD 3.48Å; R65-R173 PolarHBondContact O-NH1 2.84Å
66	R	92.4	Very high	94.4	Very high	159 Å²	159	41.4 Å²	41.4	60%	0.6	22%	0.218	S	C	*	.			trans	-122.2	7.5	-178.3	-55.5	-179.6	-176.2	-169.4	1.7	112.1	Y102	R66-Y102 HydrophobicContact CB-CD1 4Å; R66-Y102 HydrophobicContact CB-CE1 4.3Å; R66-Y102 HydrophobicContact CB-CG 4.42Å; R66-Y102 HydrophobicContact CG-CD1 3.79Å; R66-Y102 HydrophobicContact CG-CD2 4.11Å; R66-Y102 HydrophobicContact CG-CE1 3.94Å; R66-Y102 HydrophobicContact CG-CE2 4.26Å; R66-Y102 HydrophobicContact CG-CG 3.88Å; R66-Y102 PolarHBondContact NH1-OH 3.2Å
67	D	89.3	Confident	94.3	Very high	75 Å²	75	41.2 Å²	41.2	40%	0.401	22%	0.22	S	C	.	.			trans	-63.6	154.6	179.9	-58.1	-41.7	0	0	0	110.6	F60 R65 G70	F60-D67 HydrophobicContact CD1-CB 3.74Å; F60-D67 HydrophobicContact CE1-CB 4.08Å; R65-D67 WeakPolarHBondContact CD-OD2 3.28Å; R65-D67 IonicContact NH1-OD2 2.97Å; R65-D67 PolarHBondContact NH1-OD2 2.98Å; D67-G70 PolarHBondContact O-N 2.88Å; D67-G70 VanDerWaalsContact O-N 3.12Å
68	G	90.2	Very high	94.1	Very high	48 Å²	48	43.6 Å²	43.6	50%	0.495	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	-134.6	-176.9	0	0	0	0	0	111.8	G70	G68-G70 VanDerWaalsContact C-N 3.27Å
69	A	92.3	Very high	93.6	Very high	40 Å²	40	47.7 Å²	47.7	33%	0.331	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	17	174.1	0	0	0	0	0	113.2	S55 H56	S55-A69 WeakPolarHBondContact O-CB 3.33Å; S55-A69 PolarHBondContact O-N 3.1Å; H56-A69 WeakPolarHBondContact CE1-CB 3.42Å; H56-A69 VanDerWaalsContact NE2-CB 3.28Å; H56-A69 WeakPolarHBondContact NE2-CB 3.33Å
70	G	93.4	Very high	93.3	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.01	26%	0.262	C	S	.	.	S	Bend	trans	91	10.2	175.3	0	0	0	0	0	115.8	D67 G68 G101 Y102 R173	D67-G70 PolarHBondContact O-N 2.88Å; D67-G70 VanDerWaalsContact O-N 3.12Å; G68-G70 VanDerWaalsContact C-N 3.27Å; G70-G101 WeakPolarHBondContact O-CA 3.43Å; G70-Y102 PolarHBondContact O-N 3.13Å; G70-R173 VanDerWaalsContact O-CD 3.24Å; G70-R173 WeakPolarHBondContact O-CD 3.21Å; G70-R173 PolarHBondContact O-NE 3.39Å
71	G	95.7	Very high	93.2	Very high	1 Å²	1	50 Å²	50	1%	0.01	26%	0.256	C	S	.	.	S	Bend	trans	158.5	-179.8	176.3	0	0	0	0	0	112.9
72	W	97.2	Very high	93.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-84.5	138.2	171.7	166.2	73.8	0	0	0	111.5	S48 S50 H56 A61 P74 Q81 W82 L83 P161 I170 G171 M172	S48-W72 PolarHBondContact OG-NE1 3.28Å; S50-W72 PolarHBondContact O-NE1 2.98Å; H56-W72 WeakPolarHBondContact O-CA 3.37Å; H56-W72 VanDerWaalsContact O-CD1 3.29Å; A61-W72 HydrophobicContact CB-CB 3.71Å; W72-P74 HydrophobicContact CH2-CB 4.44Å; W72-P74 HydrophobicContact CH2-CG 4.21Å; W72-P74 HydrophobicContact CZ2-CB 3.87Å; W72-P74 HydrophobicContact CZ2-CG 4.1Å; W72-Q81 HydrophobicContact CH2-CB 4.26Å; W72-W82 VanDerWaalsContact CZ2-O 3.32Å; W72-W82 WeakPolarHBondContact CZ2-O 3.38Å; W72-L83 HydrophobicContact CB-CD1 4.32Å; W72-L83 HydrophobicContact CD2-CB 4.11Å; W72-L83 HydrophobicContact CD2-CD1 4.07Å; W72-L83 HydrophobicContact CD2-CG 4.47Å; W72-L83 HydrophobicContact CE3-CB 3.75Å; W72-L83 HydrophobicContact CE3-CD1 4.4Å; W72-L83 HydrophobicContact CE3-CD2 4.13Å; W72-L83 HydrophobicContact CE3-CG 4.31Å; W72-L83 HydrophobicContact CG-CD1 4.03Å; W72-L83 HydrophobicContact CH2-CB 4.03Å; W72-L83 HydrophobicContact CZ2-CB 4.4Å; W72-L83 HydrophobicContact CZ3-CB 3.7Å; W72-P161 HydrophobicContact CH2-CG 4.42Å; W72-P161 HydrophobicContact CZ3-CG 4.22Å; W72-I170 HydrophobicContact CE3-CG2 4.39Å; W72-I170 HydrophobicContact CH2-CG2 4.15Å; W72-I170 HydrophobicContact CZ3-CG2 3.73Å; W72-G171 WeakPolarHBondContact O-CA 3.25Å; W72-M172 HydrophobicContact CE3-CB 4.11Å; W72-M172 HydrophobicContact CE3-CG 4.31Å; W72-M172 HydrophobicContact CZ3-CG 4.33Å; W72-M172 HydrophobicContact CZ3-SD 4.1Å; W72-M172 PolarHBondContact N-O 3.28Å; W72-M172 PolarHBondContact O-N 3.17Å
73	S	97.9	Very high	93.3	Very high	3 Å²	3	51 Å²	51	2%	0.021	26%	0.26	C	S	.	.			trans	-141	132.5	168.9	-73.2	0	0	0	0	110.6	L52 H56 I170	L52-S73 PolarHBondContact N-O 3.33Å; H56-S73 PolarHBondContact O-N 2.97Å; S73-I170 VanDerWaalsContact CB-O 3.28Å; S73-I170 WeakPolarHBondContact CB-O 3.33Å; S73-I170 PolarHBondContact OG-O 3.05Å
74	P	96.9	Very high	93.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.26	C	S	.	.			trans	-74	160.6	176.4	29.9	-33.7	0	0	0	112.6	S50 W72 V76 Q81 I170	S50-P74 WeakPolarHBondContact OG-CB 3.35Å; W72-P74 HydrophobicContact CH2-CB 4.44Å; W72-P74 HydrophobicContact CH2-CG 4.21Å; W72-P74 HydrophobicContact CZ2-CB 3.87Å; W72-P74 HydrophobicContact CZ2-CG 4.1Å; P74-V76 VanDerWaalsContact C-N 3.31Å; P74-V76 PolarHBondContact O-N 3.43Å; P74-Q81 HydrophobicContact CB-CB 4.1Å; P74-Q81 HydrophobicContact CB-CG 3.7Å; P74-Q81 HydrophobicContact CG-CB 3.99Å; P74-Q81 HydrophobicContact CG-CG 3.69Å; P74-I170 HydrophobicContact CG-CB 3.81Å; P74-I170 HydrophobicContact CG-CD1 3.99Å; P74-I170 HydrophobicContact CG-CG1 4.48Å; P74-I170 HydrophobicContact CG-CG2 3.88Å
75	L	95.3	Very high	93.6	Very high	100 Å²	100	46.2 Å²	46.2	52%	0.524	23%	0.234	S	C	.	.	S	Bend	trans	-59.5	-40.5	177.7	-179.6	63.6	0	0	0	112.4	S50 R169	S50-L75 PolarHBondContact OG-N 3.33Å; L75-R169 PolarHBondContact O-NH2 3.36Å
76	V	93.2	Very high	93.9	Very high	79 Å²	79	42.1 Å²	42.1	48%	0.479	22%	0.221	S	C	.	.	S	Bend	trans	-126.7	133.8	176.9	-179.1	0	0	0	0	108.4	P74 N78 Q81	P74-V76 VanDerWaalsContact C-N 3.31Å; P74-V76 PolarHBondContact O-N 3.43Å; V76-N78 HydrophobicContact CG1-CB 4.46Å; V76-N78 PolarHBondContact O-N 3.16Å; V76-Q81 WeakPolarHBondContact O-CG 3.13Å; V76-Q81 PolarHBondContact O-NE2 2.6Å
77	S	93.9	Very high	94.1	Very high	29 Å²	29	35.3 Å²	35.3	20%	0.203	20%	0.196	C	C	.	.			trans	-88.9	98.7	174.5	-61.1	0	0	0	0	109.8	W164 I170	S77-W164 VanDerWaalsContact O-CZ2 3.29Å; S77-W164 WeakPolarHBondContact O-CZ2 3.02Å; S77-I170 PolarHBondContact OG-N 3.46Å
78	N	91.2	Very high	94.3	Very high	53 Å²	53	33.7 Å²	33.7	28%	0.283	20%	0.197	S	C	.	.	S	Bend	trans	-143	174.5	174.5	67.9	24.6	0	0	0	110	V76 Y80 Q81	V76-N78 HydrophobicContact CG1-CB 4.46Å; V76-N78 PolarHBondContact O-N 3.16Å; N78-Y80 PolarHBondContact O-N 3.31Å; N78-Y80 VanDerWaalsContact O-N 3.14Å; N78-Y80 PolarHBondContact OD1-N 2.93Å; N78-Y80 VanDerWaalsContact OD1-N 3.1Å; N78-Q81 WeakPolarHBondContact O-CG 3.45Å; N78-Q81 PolarHBondContact O-N 3.03Å; N78-Q81 PolarHBondContact OD1-NE2 3.5Å
79	K	86.6	Confident	94.4	Very high	103 Å²	103	37.2 Å²	37.2	45%	0.448	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-2.1	-177	68.2	179.3	-178.7	-178.7	0	116.1	D543	K79-D543 IonicContact NZ-OD1 3.87Å; K79-D543 PolarHBondContact NZ-OD1 3.27Å
80	Y	87.9	Confident	94.3	Very high	79 Å²	79	36.9 Å²	36.9	31%	0.31	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	1.7	-178.6	-55	-65.8	0	0	0	112.7	N78 F541 D543	N78-Y80 PolarHBondContact O-N 3.31Å; N78-Y80 VanDerWaalsContact O-N 3.14Å; N78-Y80 PolarHBondContact OD1-N 2.93Å; N78-Y80 VanDerWaalsContact OD1-N 3.1Å; Y80-F541 HydrophobicContact CD1-CE2 4.36Å; Y80-F541 HydrophobicContact CE1-CE2 4.12Å; Y80-D543 PolarHBondContact OH-N 3.38Å
81	Q	94	Very high	94.4	Very high	16 Å²	16	37.8 Å²	37.8	8%	0.075	20%	0.195	C	C	.	.			trans	-78	150.5	179.9	-55.5	-53.6	-47.1	0	0	111	S49 S50 W72 P74 V76 N78 P161 I170	S49-Q81 WeakPolarHBondContact OG-CA 3.37Å; S49-Q81 PolarHBondContact OG-OE1 2.97Å; S50-Q81 PolarHBondContact OG-OE1 2.83Å; W72-Q81 HydrophobicContact CH2-CB 4.26Å; P74-Q81 HydrophobicContact CB-CB 4.1Å; P74-Q81 HydrophobicContact CB-CG 3.7Å; P74-Q81 HydrophobicContact CG-CB 3.99Å; P74-Q81 HydrophobicContact CG-CG 3.69Å; V76-Q81 WeakPolarHBondContact O-CG 3.13Å; V76-Q81 PolarHBondContact O-NE2 2.6Å; N78-Q81 WeakPolarHBondContact O-CG 3.45Å; N78-Q81 PolarHBondContact O-N 3.03Å; N78-Q81 PolarHBondContact OD1-NE2 3.5Å; Q81-P161 VanDerWaalsContact O-CD 3.3Å; Q81-P161 WeakPolarHBondContact O-CD 3.49Å; Q81-I170 HydrophobicContact CB-CD1 4.03Å; Q81-I170 HydrophobicContact CG-CD1 4.04Å
82	W	95	Very high	94.4	Very high	46 Å²	46	40 Å²	40	17%	0.174	21%	0.205	C	C	.	.			trans	-152.9	149.1	177.3	52.8	-98.1	0	0	0	111.5	S48 S49 W72 Q84 R158 F159 I160	S48-W82 VanDerWaalsContact CA-O 3.25Å; S48-W82 WeakPolarHBondContact CA-O 3.24Å; S48-W82 WeakPolarHBondContact CB-O 3.46Å; S48-W82 WeakPolarHBondContact O-CH2 3.34Å; S49-W82 PolarHBondContact N-O 2.76Å; S49-W82 PolarHBondContact OG-N 2.82Å; S49-W82 PolarHBondContact OG-O 2.82Å; W72-W82 VanDerWaalsContact CZ2-O 3.32Å; W72-W82 WeakPolarHBondContact CZ2-O 3.38Å; W82-Q84 HydrophobicContact CE3-CB 3.73Å; W82-Q84 HydrophobicContact CZ3-CB 3.66Å; W82-R158 HydrophobicContact CB-CG 3.63Å; W82-R158 HydrophobicContact CD2-CG 4.49Å; W82-R158 HydrophobicContact CE3-CG 4.39Å; W82-R158 HydrophobicContact CG-CG 4.22Å; W82-F159 VanDerWaalsContact CA-O 3.31Å; W82-F159 WeakPolarHBondContact CA-O 3.31Å; W82-I160 HydrophobicContact CB-CG1 4.2Å
83	L	97.4	Very high	94.4	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	128.3	170.5	173.4	67.2	0	0	0	108.2	P58 A61 W72 R158 F159 M172 I174	P58-L83 HydrophobicContact CB-CD1 3.65Å; A61-L83 HydrophobicContact CB-CD1 3.99Å; A61-L83 HydrophobicContact CB-CD2 3.47Å; A61-L83 VanDerWaalsContact CB-CD2 3.47Å; A61-L83 HydrophobicContact CB-CG 4.37Å; W72-L83 HydrophobicContact CB-CD1 4.32Å; W72-L83 HydrophobicContact CD2-CB 4.11Å; W72-L83 HydrophobicContact CD2-CD1 4.07Å; W72-L83 HydrophobicContact CD2-CG 4.47Å; W72-L83 HydrophobicContact CE3-CB 3.75Å; W72-L83 HydrophobicContact CE3-CD1 4.4Å; W72-L83 HydrophobicContact CE3-CD2 4.13Å; W72-L83 HydrophobicContact CE3-CG 4.31Å; W72-L83 HydrophobicContact CG-CD1 4.03Å; W72-L83 HydrophobicContact CH2-CB 4.03Å; W72-L83 HydrophobicContact CZ2-CB 4.4Å; W72-L83 HydrophobicContact CZ3-CB 3.7Å; L83-R158 CarbonylContact O-C 3.53Å; L83-R158 VanDerWaalsContact O-CA 3.26Å; L83-R158 WeakPolarHBondContact O-CA 3.25Å; L83-F159 HydrophobicContact CB-CB 4.48Å; L83-F159 PolarHBondContact N-O 3.23Å; L83-F159 PolarHBondContact O-N 2.89Å; L83-M172 HydrophobicContact CD2-CB 4.48Å; L83-I174 HydrophobicContact CD2-CD1 3.97Å; L83-I174 HydrophobicContact CD2-CG1 4.13Å; L83-I174 HydrophobicContact CD2-CG2 4.22Å
84	Q	96.8	Very high	94.3	Very high	22 Å²	22	40.3 Å²	40.3	10%	0.103	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142.3	-174.7	172.4	179.3	-42.9	0	0	111.2	F46 S47 W82 W122 L157 R158	F46-Q84 WeakPolarHBondContact CA-O 3.05Å; S47-Q84 PolarHBondContact N-O 2.99Å; S47-Q84 PolarHBondContact O-N 3.49Å; S47-Q84 VanDerWaalsContact O-O 3.12Å; S47-Q84 WeakPolarHBondContact OG-CB 3.39Å; W82-Q84 HydrophobicContact CE3-CB 3.73Å; W82-Q84 HydrophobicContact CZ3-CB 3.66Å; Q84-W122 HydrophobicContact CG-CH2 3.96Å; Q84-W122 HydrophobicContact CG-CZ2 4.42Å; Q84-L157 CarbonylContact C-O 3.55Å; Q84-L157 VanDerWaalsContact CA-O 3.27Å; Q84-L157 WeakPolarHBondContact CA-O 3.5Å; Q84-R158 HydrophobicContact CB-CB 4.4Å; Q84-R158 HydrophobicContact CB-CG 4.48Å
85	I	97.7	Very high	94.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	141.3	172.5	58.9	172.8	0	0	0	110.9	V38 S45 F46 L87 F156 L157 I174 V176	V38-I85 HydrophobicContact CG2-CD1 3.75Å; S45-I85 CarbonylContact O-C 3.59Å; S45-I85 WeakPolarHBondContact O-CA 3.35Å; F46-I85 HydrophobicContact CD1-CG2 3.67Å; F46-I85 HydrophobicContact CE1-CG2 3.72Å; F46-I85 HydrophobicContact CG-CG2 4.42Å; I85-L87 HydrophobicContact CD1-CD2 3.95Å; I85-F156 WeakPolarHBondContact O-CA 3.48Å; I85-L157 HydrophobicContact CD1-CB 4.08Å; I85-L157 HydrophobicContact CD1-CD1 4.1Å; I85-L157 HydrophobicContact CG1-CB 3.74Å; I85-L157 PolarHBondContact N-O 2.93Å; I85-L157 PolarHBondContact O-N 2.93Å; I85-L157 VanDerWaalsContact O-N 3.07Å; I85-I174 HydrophobicContact CD1-CD1 4.28Å; I85-I174 HydrophobicContact CG2-CD1 3.82Å; I85-V176 HydrophobicContact CD1-CB 4.39Å; I85-V176 HydrophobicContact CD1-CG2 3.59Å
86	D	97.9	Very high	94.3	Very high	31 Å²	31	35.5 Å²	35.5	17%	0.166	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	111.5	168.5	-177.1	1.8	0	0	0	108.9	S45 G88 R155 F156	S45-D86 VanDerWaalsContact CB-O 3.23Å; S45-D86 WeakPolarHBondContact CB-O 3.37Å; S45-D86 PolarHBondContact O-N 2.88Å; S45-D86 PolarHBondContact OG-O 3.05Å; D86-G88 PolarHBondContact O-N 3.13Å; D86-G88 WeakPolarHBondContact OD1-CA 3.3Å; D86-G88 PolarHBondContact OD1-N 2.86Å; D86-R155 VanDerWaalsContact OD1-CG 3.32Å; D86-R155 WeakPolarHBondContact OD1-CG 3.28Å; D86-R155 IonicContact OD1-CZ 3.49Å; D86-R155 IonicContact OD1-NE 3.52Å; D86-R155 PolarHBondContact OD1-NE 2.9Å; D86-R155 IonicContact OD1-NH2 2.7Å; D86-R155 PolarHBondContact OD1-NH2 2.74Å; D86-R155 IonicContact OD2-CZ 3.51Å; D86-R155 IonicContact OD2-NE 3.6Å; D86-R155 IonicContact OD2-NH2 3.67Å; D86-R155 PolarHBondContact OD2-NH2 2.76Å; D86-F156 HydrophobicContact CB-CD1 3.8Å; D86-F156 HydrophobicContact CB-CE1 3.57Å
87	L	96.8	Very high	94.5	Very high	16 Å²	16	31.8 Å²	31.8	8%	0.084	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	-3.9	178.2	-57.2	175.8	0	0	0	112.5	L37 L41 I85 E89 M91 V93 R155 L157	L37-L87 HydrophobicContact CB-CD2 4.17Å; L37-L87 HydrophobicContact CD1-CD1 4.45Å; L41-L87 HydrophobicContact CD1-CD2 4.06Å; I85-L87 HydrophobicContact CD1-CD2 3.95Å; L87-E89 PolarHBondContact O-N 2.87Å; L87-E89 VanDerWaalsContact O-N 3.14Å; L87-M91 HydrophobicContact CB-CG 3.78Å; L87-M91 HydrophobicContact CD1-CB 3.8Å; L87-M91 HydrophobicContact CD1-CG 3.8Å; L87-M91 HydrophobicContact CG-CG 4.39Å; L87-V93 HydrophobicContact CD1-CG2 3.86Å; L87-R155 VanDerWaalsContact CB-O 3.26Å; L87-R155 WeakPolarHBondContact CB-O 3.48Å; L87-R155 VanDerWaalsContact CG-O 3.29Å; L87-R155 WeakPolarHBondContact CG-O 3.32Å; L87-R155 PolarHBondContact N-O 2.91Å; L87-L157 HydrophobicContact CD1-CD1 4.4Å
88	G	93.4	Very high	94.7	Very high	41 Å²	41	30.4 Å²	30.4	42%	0.423	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	86.8	-46.5	178.8	0	0	0	0	0	112.8	D86 R155	D86-G88 PolarHBondContact O-N 3.13Å; D86-G88 WeakPolarHBondContact OD1-CA 3.3Å; D86-G88 PolarHBondContact OD1-N 2.86Å; G88-R155 PolarHBondContact O-NE 2.79Å; G88-R155 PolarHBondContact O-NH1 2.75Å
89	E	91.5	Very high	95	Very high	121 Å²	121	28.2 Å²	28.2	57%	0.565	14%	0.137	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-132.3	178.7	174.5	69.8	-174.8	148.8	0	0	111.7	L87 M91 R155	L87-E89 PolarHBondContact O-N 2.87Å; L87-E89 VanDerWaalsContact O-N 3.14Å; E89-M91 HydrophobicContact CG-SD 3.57Å; E89-M91 VanDerWaalsContact CG-SD 3.57Å; E89-M91 PolarHBondContact O-N 2.99Å; E89-R155 WeakPolarHBondContact O-CA 3.2Å
90	R	91	Very high	95.5	Very high	33 Å²	33	23.3 Å²	23.3	13%	0.125	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	116.7	-179.1	-164.4	171.9	-176.3	-156.2	-7.5	109.3	D117 K153 Y181 W274 E336	R90-D117 IonicContact CZ-OD1 3.88Å; R90-D117 IonicContact CZ-OD2 2.75Å; R90-D117 IonicContact NE-OD1 3.86Å; R90-D117 PolarHBondContact NE-OD1 2.03Å; R90-D117 VanDerWaalsContact NE-OD1 3.13Å; R90-D117 IonicContact NE-OD2 2.8Å; R90-D117 IonicContact NH2-OD2 3.77Å; R90-K153 PolarHBondContact NE-O 2.8Å; R90-K153 PolarHBondContact NH2-O 2.82Å; R90-Y181 HydrophobicContact CG-CD1 4.48Å; R90-Y181 PolarHBondContact O-N 3.01Å; R90-W274 VanDerWaalsContact CZ-CD1 3.4Å; R90-W274 VanDerWaalsContact NH1-NE1 3.19Å; R90-E336 IonicContact CZ-OE1 3.41Å; R90-E336 IonicContact CZ-OE2 3.86Å; R90-E336 IonicContact NH1-OE1 2.7Å; R90-E336 PolarHBondContact NH1-OE1 3.49Å; R90-E336 IonicContact NH1-OE2 3.43Å; R90-E336 PolarHBondContact NH1-OE2 2.77Å; R90-E336 IonicContact NH2-OE2 2.67Å
91	M	95.5	Very high	95.8	Very high	20 Å²	20	19.7 Å²	19.7	10%	0.099	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	155.2	-177.2	-54.2	-57.5	-82.1	0	0	110.4	L37 L87 E89 V93 K153 A154 A180	L37-M91 HydrophobicContact CD1-CB 4.15Å; L37-M91 HydrophobicContact CD1-CE 4.4Å; L37-M91 HydrophobicContact CD1-CG 4.42Å; L37-M91 HydrophobicContact CD2-CE 3.85Å; L87-M91 HydrophobicContact CB-CG 3.78Å; L87-M91 HydrophobicContact CD1-CB 3.8Å; L87-M91 HydrophobicContact CD1-CG 3.8Å; L87-M91 HydrophobicContact CG-CG 4.39Å; E89-M91 HydrophobicContact CG-SD 3.57Å; E89-M91 VanDerWaalsContact CG-SD 3.57Å; E89-M91 PolarHBondContact O-N 2.99Å; M91-V93 HydrophobicContact CB-CG2 4.45Å; M91-K153 WeakPolarHBondContact O-CA 3.35Å; M91-A154 PolarHBondContact N-O 2.95Å; M91-A154 PolarHBondContact O-N 3.19Å; M91-A180 HydrophobicContact CE-CB 4.16Å; M91-A180 HydrophobicContact SD-CB 4.34Å
92	E	96	Very high	95.9	Very high	47 Å²	47	23 Å²	23	22%	0.22	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	118	162.2	175.7	157.2	-157.7	0	0	108.2	T94 S151 I152 K153 G178 C179 Y181	E92-T94 HydrophobicContact CG-CG2 4.41Å; E92-S151 PolarHBondContact OE1-OG 3.36Å; E92-I152 CarbonylContact C-O 3.51Å; E92-I152 WeakPolarHBondContact CA-O 3.43Å; E92-K153 HydrophobicContact CB-CG 4.46Å; E92-K153 WeakPolarHBondContact OE1-CE 3.46Å; E92-K153 IonicContact OE1-NZ 2.71Å; E92-K153 PolarHBondContact OE1-NZ 2.82Å; E92-K153 VanDerWaalsContact OE1-NZ 3.16Å; E92-G178 CarbonylContact O-C 3.53Å; E92-G178 WeakPolarHBondContact O-CA 3.43Å; E92-C179 PolarHBondContact N-O 2.93Å; E92-C179 PolarHBondContact O-N 2.96Å; E92-Y181 HydrophobicContact CB-CD2 4.38Å
93	V	97.1	Very high	95.7	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	115.7	-177.1	174.4	0	0	0	0	108.6	L37 L87 M91 L148 S151 I152 L157 V176 F177	L37-V93 HydrophobicContact CD1-CG2 4.32Å; L87-V93 HydrophobicContact CD1-CG2 3.86Å; M91-V93 HydrophobicContact CB-CG2 4.45Å; V93-L148 HydrophobicContact CG1-CD1 3.88Å; V93-S151 CarbonylContact O-C 3.57Å; V93-S151 WeakPolarHBondContact O-CA 3.45Å; V93-S151 WeakPolarHBondContact O-CB 3.4Å; V93-I152 HydrophobicContact CB-CB 4.2Å; V93-I152 PolarHBondContact N-O 2.87Å; V93-I152 PolarHBondContact O-N 2.76Å; V93-L157 HydrophobicContact CG1-CD1 4.17Å; V93-L157 HydrophobicContact CG2-CD1 4.04Å; V93-V176 HydrophobicContact CB-CG1 4.16Å; V93-V176 HydrophobicContact CG1-CG1 3.27Å; V93-V176 HydrophobicContact CG2-CG1 3.86Å; V93-F177 WeakPolarHBondContact CA-O 3.12Å
94	T	95.9	Very high	95.5	Very high	10 Å²	10	26 Å²	26	6%	0.061	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-26.5	-174.7	53.3	0	0	0	0	112.7	C33 D34 E92 L148 F177	C33-T94 HydrophobicContact CB-CG2 4.22Å; C33-T94 WeakPolarHBondContact O-CB 3.49Å; C33-T94 WeakPolarHBondContact O-CG2 3.37Å; C33-T94 PolarHBondContact O-OG1 3.34Å; D34-T94 WeakPolarHBondContact OD1-CB 3.46Å; D34-T94 PolarHBondContact OD1-OG1 3.08Å; E92-T94 HydrophobicContact CG-CG2 4.41Å; T94-L148 WeakPolarHBondContact O-CA 3.11Å; T94-L148 WeakPolarHBondContact O-CB 3.11Å; T94-L148 PolarHBondContact O-N 3.35Å; T94-F177 PolarHBondContact N-O 3.4Å; T94-F177 PolarHBondContact OG1-O 3.22Å
95	S	95.6	Very high	95.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	159.2	-177.4	-59.7	0	0	0	0	113.2	Y145 Y146 R147 F177	S95-Y145 WeakPolarHBondContact CB-OH 3.43Å; S95-Y145 VanDerWaalsContact OG-CZ 3.25Å; S95-Y145 PolarHBondContact OG-OH 3.36Å; S95-Y146 CarbonylContact C-O 3.46Å; S95-Y146 WeakPolarHBondContact CA-O 3.48Å; S95-Y146 VanDerWaalsContact CB-O 3.24Å; S95-Y146 WeakPolarHBondContact CB-O 3.09Å; S95-R147 WeakPolarHBondContact OG-CA 3.39Å; S95-F177 PolarHBondContact N-O 2.88Å; S95-F177 PolarHBondContact O-N 3.07Å
96	V	96.3	Very high	95.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	149.1	173.3	-62.8	0	0	0	0	110.8	L113 Y145 Y146 L148 F159 V176	V96-L113 HydrophobicContact CG1-CD2 3.92Å; V96-Y145 WeakPolarHBondContact O-CA 3.36Å; V96-Y146 PolarHBondContact N-O 2.97Å; V96-Y146 PolarHBondContact O-N 3.33Å; V96-L148 HydrophobicContact CG1-CD1 4.31Å; V96-L148 HydrophobicContact CG2-CD2 4.4Å; V96-F159 HydrophobicContact CB-CE1 4.28Å; V96-F159 HydrophobicContact CB-CZ 4.26Å; V96-F159 HydrophobicContact CG1-CE1 4.45Å; V96-F159 HydrophobicContact CG1-CZ 4.09Å; V96-V176 HydrophobicContact CG1-CG2 4.26Å
97	A	97.6	Very high	95.4	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.008	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	142.7	173.1	0	0	0	0	0	111.3	L63 V143 V144 Y145 I174 E175 F177	L63-A97 HydrophobicContact CD1-CB 4.43Å; L63-A97 HydrophobicContact CD2-CB 4.01Å; A97-V143 HydrophobicContact CB-CG1 3.82Å; A97-V144 CarbonylContact C-O 3.38Å; A97-V144 VanDerWaalsContact CA-O 3.27Å; A97-V144 WeakPolarHBondContact CA-O 3.49Å; A97-Y145 HydrophobicContact CB-CD2 4.32Å; A97-I174 VanDerWaalsContact O-CA 3.26Å; A97-I174 WeakPolarHBondContact O-CA 3.3Å; A97-E175 HydrophobicContact CB-CB 4.36Å; A97-E175 PolarHBondContact N-O 2.91Å; A97-E175 PolarHBondContact O-N 2.87Å; A97-F177 HydrophobicContact CB-CE2 3.91Å
98	T	97.5	Very high	95.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	148.3	-179.4	57.2	0	0	0	0	111.7	Y111 N137 V143 V144 F159 M172 R173 I174	T98-Y111 HydrophobicContact CG2-CD1 4.48Å; T98-Y111 HydrophobicContact CG2-CE1 3.72Å; T98-Y111 HydrophobicContact CG2-CE2 4.26Å; T98-N137 PolarHBondContact O-ND2 3.35Å; T98-N137 PolarHBondContact OG1-OD1 3.19Å; T98-V143 WeakPolarHBondContact O-CA 3.12Å; T98-V144 PolarHBondContact N-O 3.41Å; T98-V144 PolarHBondContact O-N 3.28Å; T98-F159 HydrophobicContact CG2-CD1 4.34Å; T98-F159 HydrophobicContact CG2-CE1 4.13Å; T98-M172 HydrophobicContact CG2-CE 4.07Å; T98-R173 CarbonylContact C-O 3.59Å; T98-R173 WeakPolarHBondContact CA-O 3.42Å; T98-I174 HydrophobicContact CG2-CG2 4.27Å
99	Q	97.3	Very high	95.4	Very high	6 Å²	6	28.7 Å²	28.7	3%	0.028	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	154.9	171.8	-104.5	174.9	-9	0	0	109.6	L63 N64 N137 D141 V143 M172 R173	L63-Q99 HydrophobicContact CD1-CB 3.9Å; L63-Q99 HydrophobicContact CD1-CG 3.92Å; N64-Q99 PolarHBondContact OD1-NE2 3.49Å; N64-Q99 PolarHBondContact OD1-OE1 2.86Å; Q99-N137 WeakPolarHBondContact CA-ND2 3.45Å; Q99-N137 WeakPolarHBondContact CA-OD1 3.18Å; Q99-N137 PolarHBondContact N-OD1 3.35Å; Q99-D141 PolarHBondContact NE2-O 3.27Å; Q99-V143 HydrophobicContact CG-CB 4.5Å; Q99-V143 HydrophobicContact CG-CG2 3.93Å; Q99-M172 CarbonylContact O-C 3.29Å; Q99-M172 WeakPolarHBondContact O-CA 3.42Å; Q99-R173 HydrophobicContact CB-CB 4.02Å; Q99-R173 PolarHBondContact N-O 2.87Å; Q99-R173 PolarHBondContact O-N 2.84Å; Q99-R173 VanDerWaalsContact OE1-CZ 3.29Å
100	G	97	Very high	95.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.14	C	C	.	.			trans	-74.5	176.6	167.9	0	0	0	0	0	113.4	Y102 A140 R173	G100-Y102 PolarHBondContact O-N 2.86Å; G100-A140 CarbonylContact C-O 3.49Å; G100-A140 PolarHBondContact N-O 3.15Å; G100-R173 VanDerWaalsContact O-CZ 3.25Å; G100-R173 PolarHBondContact O-NE 2.81Å; G100-R173 PolarHBondContact O-NH2 2.96Å
101	G	95	Very high	95.5	Very high	4 Å²	4	21.9 Å²	21.9	4%	0.041	13%	0.134	C	C	.	.			trans	-68.9	123.1	175	0	0	0	0	0	111.3	G70 G103 S104 N106 A140	G70-G101 WeakPolarHBondContact O-CA 3.43Å; G101-G103 PolarHBondContact O-N 2.84Å; G101-S104 PolarHBondContact O-N 3.4Å; G101-S104 PolarHBondContact O-OG 3.34Å; G101-N106 PolarHBondContact N-O 3.33Å; G101-A140 VanDerWaalsContact O-CB 3.28Å; G101-A140 WeakPolarHBondContact O-CB 3.4Å
102	Y	95.3	Very high	95.3	Very high	85 Å²	85	22 Å²	22	33%	0.333	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	131.1	-174	177.1	-109.1	0	0	0	113	R66 G70 G100 S104	R66-Y102 HydrophobicContact CB-CD1 4Å; R66-Y102 HydrophobicContact CB-CE1 4.3Å; R66-Y102 HydrophobicContact CB-CG 4.42Å; R66-Y102 HydrophobicContact CG-CD1 3.79Å; R66-Y102 HydrophobicContact CG-CD2 4.11Å; R66-Y102 HydrophobicContact CG-CE1 3.94Å; R66-Y102 HydrophobicContact CG-CE2 4.26Å; R66-Y102 HydrophobicContact CG-CG 3.88Å; R66-Y102 PolarHBondContact NH1-OH 3.2Å; G70-Y102 PolarHBondContact O-N 3.13Å; G100-Y102 PolarHBondContact O-N 2.86Å; Y102-S104 PolarHBondContact O-N 2.99Å
103	G	90.6	Very high	95.2	Very high	68 Å²	68	19.8 Å²	19.8	70%	0.701	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.9	19	175	0	0	0	0	0	115.2	G101	G101-G103 PolarHBondContact O-N 2.84Å
104	S	93.2	Very high	95.1	Very high	40 Å²	40	19.9 Å²	19.9	28%	0.28	13%	0.125	S	C	.	.	S	Bend	trans	-123.7	174	-176.6	79.6	0	0	0	0	112.7	G101 Y102 N106 A140	G101-S104 PolarHBondContact O-N 3.4Å; G101-S104 PolarHBondContact O-OG 3.34Å; Y102-S104 PolarHBondContact O-N 2.99Å; S104-N106 VanDerWaalsContact C-N 3.28Å; S104-N106 WeakPolarHBondContact OG-CB 3.39Å; S104-N106 PolarHBondContact OG-N 3.17Å; S104-A140 WeakPolarHBondContact O-CB 3.38Å
105	S	95.4	Very high	95.1	Very high	55 Å²	55	21.1 Å²	21.1	39%	0.385	13%	0.129	S	C	.	.	S	Bend	trans	-87.6	9.5	167.3	59.3	0	0	0	0	113.5	W107 N165	S105-W107 VanDerWaalsContact CA-CZ3 3.47Å; S105-W107 WeakPolarHBondContact O-CZ3 3.44Å; S105-N165 PolarHBondContact O-ND2 3.01Å
106	N	96.7	Very high	95	Very high	23 Å²	23	21.3 Å²	21.3	12%	0.123	13%	0.13	C	C	.	.			trans	-98	109	-171.2	-57.1	-26.8	0	0	0	111.1	G101 S104 R169	G101-N106 PolarHBondContact N-O 3.33Å; S104-N106 VanDerWaalsContact C-N 3.28Å; S104-N106 WeakPolarHBondContact OG-CB 3.39Å; S104-N106 PolarHBondContact OG-N 3.17Å; N106-R169 CarbonylContact C-O 3.58Å; N106-R169 VanDerWaalsContact CA-O 3.24Å; N106-R169 WeakPolarHBondContact CA-O 3.36Å; N106-R169 HydrophobicContact CB-CB 4.5Å; N106-R169 WeakPolarHBondContact CB-O 3.5Å; N106-R169 PolarHBondContact OD1-N 3.43Å
107	W	97.6	Very high	94.8	Very high	43 Å²	43	23.4 Å²	23.4	16%	0.163	14%	0.142	C	C	.	.			trans	-153.4	151.1	174.6	61.1	84.2	0	0	0	111.3	S105 N137 A138 A140 W164 N165 R169 G171	S105-W107 VanDerWaalsContact CA-CZ3 3.47Å; S105-W107 WeakPolarHBondContact O-CZ3 3.44Å; W107-N137 HydrophobicContact CB-CB 4.27Å; W107-A138 WeakPolarHBondContact CZ2-O 3.37Å; W107-A138 PolarHBondContact NE1-O 3.4Å; W107-A140 HydrophobicContact CE3-CB 4.24Å; W107-W164 VanDerWaalsContact O-CA 3.31Å; W107-W164 WeakPolarHBondContact O-CA 3.2Å; W107-W164 WeakPolarHBondContact O-CB 3.47Å; W107-N165 HydrophobicContact CD2-CB 3.93Å; W107-N165 HydrophobicContact CG-CB 4.29Å; W107-N165 HydrophobicContact CH2-CB 4.48Å; W107-N165 WeakPolarHBondContact CH2-ND2 3.38Å; W107-N165 HydrophobicContact CZ2-CB 3.8Å; W107-N165 VanDerWaalsContact CZ2-CG 3.42Å; W107-N165 WeakPolarHBondContact CZ2-ND2 3.26Å; W107-N165 PolarHBondContact O-N 2.81Å; W107-R169 PolarHBondContact N-O 3.19Å; W107-G171 WeakPolarHBondContact CA-O 3.2Å
108	V	97.8	Very high	94.4	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	131.3	178.2	171.6	0	0	0	0	109.3	S110 Y111 G136 N137 P161 E163 I170 M172	V108-S110 WeakPolarHBondContact CG1-O 3.03Å; V108-Y111 HydrophobicContact CG1-CD1 4.44Å; V108-G136 CarbonylContact O-C 3.57Å; V108-G136 WeakPolarHBondContact O-CA 3.07Å; V108-N137 PolarHBondContact O-N 3.39Å; V108-P161 HydrophobicContact CG1-CB 4.05Å; V108-P161 HydrophobicContact CG2-CB 3.83Å; V108-P161 HydrophobicContact CG2-CG 4.03Å; V108-E163 CarbonylContact C-O 3.51Å; V108-E163 WeakPolarHBondContact CA-O 3.46Å; V108-E163 WeakPolarHBondContact CG1-O 3.14Å; V108-I170 HydrophobicContact CG2-CB 4.47Å; V108-I170 HydrophobicContact CG2-CG2 3.9Å; V108-M172 HydrophobicContact CB-CE 4.37Å; V108-M172 HydrophobicContact CB-CG 4.12Å; V108-M172 HydrophobicContact CB-SD 4.24Å; V108-M172 HydrophobicContact CG1-CE 4.47Å; V108-M172 HydrophobicContact CG1-SD 4.5Å; V108-M172 HydrophobicContact CG2-CE 4.47Å; V108-M172 HydrophobicContact CG2-CG 3.46Å; V108-M172 VanDerWaalsContact CG2-CG 3.46Å; V108-M172 HydrophobicContact CG2-SD 3.7Å
109	T	93.8	Very high	94	Very high	46 Å²	46	25.7 Å²	25.7	28%	0.282	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-16.2	-178.2	56.1	0	0	0	0	112.8	G136 E163 W164	T109-G136 VanDerWaalsContact C-N 3.27Å; T109-G136 PolarHBondContact O-N 3.18Å; T109-E163 PolarHBondContact N-O 3.06Å; T109-E163 VanDerWaalsContact OG1-CB 3.27Å; T109-E163 WeakPolarHBondContact OG1-CB 3.17Å; T109-E163 PolarHBondContact OG1-O 2.78Å; T109-W164 PolarHBondContact OG1-N 2.85Å
110	S	91.5	Very high	93.6	Very high	12 Å²	12	29.7 Å²	29.7	8%	0.084	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	142.9	169.7	-179.5	0	0	0	0	110.6	V108 F134 L162 E163	V108-S110 WeakPolarHBondContact CG1-O 3.03Å; S110-F134 CarbonylContact C-O 3.58Å; S110-F134 VanDerWaalsContact CA-O 3.26Å; S110-F134 WeakPolarHBondContact CA-O 3.14Å; S110-L162 PolarHBondContact O-N 3.02Å; S110-E163 PolarHBondContact N-O 2.9Å; S110-E163 PolarHBondContact O-N 2.93Å
111	Y	93.3	Very high	93.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	157.3	180	67.1	-81.7	0	0	0	113.6	T98 V108 G133 F134 F159 I160	T98-Y111 HydrophobicContact CG2-CD1 4.48Å; T98-Y111 HydrophobicContact CG2-CE1 3.72Å; T98-Y111 HydrophobicContact CG2-CE2 4.26Å; V108-Y111 HydrophobicContact CG1-CD1 4.44Å; Y111-G133 CarbonylContact O-C 3.53Å; Y111-G133 VanDerWaalsContact O-CA 3.23Å; Y111-G133 WeakPolarHBondContact O-CA 3.26Å; Y111-F134 HydrophobicContact CD1-CB 4Å; Y111-F134 HydrophobicContact CD2-CB 4.31Å; Y111-F134 HydrophobicContact CD2-CD2 4.34Å; Y111-F134 HydrophobicContact CE1-CB 3.49Å; Y111-F134 VanDerWaalsContact CE1-CB 3.49Å; Y111-F134 HydrophobicContact CE1-CG 4.47Å; Y111-F134 HydrophobicContact CE2-CB 3.86Å; Y111-F134 AromaticContact CE2-CD2 3.86Å; Y111-F134 HydrophobicContact CE2-CD2 3.86Å; Y111-F134 HydrophobicContact CE2-CG 4.06Å; Y111-F134 HydrophobicContact CG-CB 4.38Å; Y111-F134 VanDerWaalsContact CZ-CB 3.41Å; Y111-F134 AromaticContact CZ-CG 3.91Å; Y111-F134 PolarHBondContact N-O 3.46Å; Y111-F134 PolarHBondContact O-N 2.89Å; Y111-F159 AromaticContact CD2-CD1 3.78Å; Y111-F159 HydrophobicContact CD2-CD1 3.78Å; Y111-F159 HydrophobicContact CD2-CE1 4.49Å; Y111-F159 AromaticContact CE2-CD1 3.61Å; Y111-F159 HydrophobicContact CE2-CD1 3.61Å; Y111-F159 AromaticContact CE2-CE1 3.87Å; Y111-F159 HydrophobicContact CE2-CE1 3.87Å; Y111-I160 CarbonylContact C-O 3.52Å; Y111-I160 WeakPolarHBondContact CA-O 3.46Å; Y111-I160 WeakPolarHBondContact CB-O 3.23Å
112	L	91.5	Very high	93.2	Very high	22 Å²	22	30.4 Å²	30.4	12%	0.115	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	148.3	167.2	-57.3	178	0	0	0	110.8	M114 I160 L162	L112-M114 HydrophobicContact CB-CE 4.47Å; L112-M114 HydrophobicContact CD1-CE 4.07Å; L112-I160 HydrophobicContact CB-CB 4.25Å; L112-I160 PolarHBondContact N-O 2.82Å; L112-I160 PolarHBondContact O-N 2.92Å; L112-L162 HydrophobicContact CD1-CD2 4.06Å; L112-L162 HydrophobicContact CD2-CD1 3.8Å; L112-L162 HydrophobicContact CG-CD1 3.8Å; L112-L162 HydrophobicContact CG-CD2 3.96Å; L112-L162 HydrophobicContact CG-CG 4Å
113	L	94	Very high	93.1	Very high	1 Å²	1	29 Å²	29	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	126.5	169.1	-171.6	65.2	0	0	0	109.4	V96 Y125 F134 L148 I152 L157 F159	V96-L113 HydrophobicContact CG1-CD2 3.92Å; L113-Y125 WeakPolarHBondContact O-CB 3.45Å; L113-Y125 PolarHBondContact O-N 2.82Å; L113-F134 HydrophobicContact CB-CD2 4.23Å; L113-F134 HydrophobicContact CB-CE2 3.69Å; L113-F134 HydrophobicContact CD2-CE2 4.44Å; L113-L148 HydrophobicContact CD2-CD1 3.96Å; L113-L148 HydrophobicContact CD2-CD2 4.23Å; L113-I152 HydrophobicContact CD2-CD1 3.67Å; L113-I152 HydrophobicContact CG-CD1 4.34Å; L113-L157 HydrophobicContact CD1-CD2 4.18Å; L113-L157 HydrophobicContact CG-CD2 4.36Å; L113-F159 HydrophobicContact CD1-CD1 4.2Å; L113-F159 HydrophobicContact CD1-CD2 4.27Å; L113-F159 HydrophobicContact CD1-CE1 3.98Å; L113-F159 HydrophobicContact CD1-CE2 4.02Å; L113-F159 HydrophobicContact CD1-CG 4.34Å; L113-F159 HydrophobicContact CD1-CZ 3.88Å
114	M	94.3	Very high	93.1	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	149.7	175.1	-59.1	-81.3	179.1	0	0	109.6	L112 W122 K123 Q124 L157 R158 I160	L112-M114 HydrophobicContact CB-CE 4.47Å; L112-M114 HydrophobicContact CD1-CE 4.07Å; M114-W122 HydrophobicContact CB-CB 4.41Å; M114-W122 HydrophobicContact CB-CE3 3.82Å; M114-K123 CarbonylContact C-O 3.59Å; M114-K123 VanDerWaalsContact CA-O 3.23Å; M114-K123 WeakPolarHBondContact CA-O 3.38Å; M114-Q124 HydrophobicContact CE-CB 3.9Å; M114-Q124 HydrophobicContact CE-CG 3.99Å; M114-Q124 WeakPolarHBondContact SD-CA 3.44Å; M114-Q124 HydrophobicContact SD-CB 3.53Å; M114-Q124 VanDerWaalsContact SD-CB 3.53Å; M114-Q124 HydrophobicContact SD-CG 4.03Å; M114-L157 CarbonylContact O-C 3.51Å; M114-L157 WeakPolarHBondContact O-CA 3.48Å; M114-R158 HydrophobicContact CB-CB 4.15Å; M114-R158 PolarHBondContact N-O 2.84Å; M114-R158 PolarHBondContact O-N 3.48Å; M114-I160 HydrophobicContact CE-CD1 3.73Å; M114-I160 HydrophobicContact CG-CD1 3.53Å; M114-I160 HydrophobicContact CG-CG1 4.19Å; M114-I160 HydrophobicContact SD-CD1 4.44Å
115	F	95.6	Very high	92.9	Very high	35 Å²	35	25.6 Å²	25.6	15%	0.154	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	155.2	178.7	63.8	-87.9	0	0	0	112.4	K123 Y125 I152 A154 F156 L157	F115-K123 HydrophobicContact CD1-CB 4.35Å; F115-K123 WeakPolarHBondContact CD1-O 3.24Å; F115-K123 HydrophobicContact CD2-CB 4.3Å; F115-K123 HydrophobicContact CE1-CB 3.91Å; F115-K123 HydrophobicContact CE1-CG 3.93Å; F115-K123 HydrophobicContact CE2-CB 3.87Å; F115-K123 HydrophobicContact CE2-CD 4.15Å; F115-K123 HydrophobicContact CE2-CG 4.21Å; F115-K123 HydrophobicContact CZ-CB 3.66Å; F115-K123 HydrophobicContact CZ-CD 3.74Å; F115-K123 HydrophobicContact CZ-CG 3.59Å; F115-K123 PolarHBondContact N-O 2.9Å; F115-K123 PolarHBondContact O-N 2.88Å; F115-Y125 HydrophobicContact CE1-CD2 4.49Å; F115-I152 HydrophobicContact CB-CD1 4.46Å; F115-I152 HydrophobicContact CB-CG2 3.69Å; F115-I152 HydrophobicContact CD1-CD1 3.92Å; F115-I152 HydrophobicContact CD1-CG1 4.22Å; F115-I152 HydrophobicContact CD1-CG2 4.03Å; F115-I152 HydrophobicContact CD2-CG2 3.74Å; F115-I152 HydrophobicContact CE1-CG1 4.46Å; F115-I152 HydrophobicContact CE2-CG2 4.33Å; F115-I152 HydrophobicContact CG-CD1 4.38Å; F115-I152 HydrophobicContact CG-CG2 3.56Å; F115-A154 HydrophobicContact CB-CB 3.87Å; F115-A154 HydrophobicContact CD2-CB 3.96Å; F115-A154 HydrophobicContact CG-CB 4.35Å; F115-F156 VanDerWaalsContact CA-O 3.27Å; F115-F156 WeakPolarHBondContact CA-O 3.28Å; F115-L157 HydrophobicContact CB-CD2 3.78Å
116	S	94.3	Very high	92.3	Very high	4 Å²	4	26.4 Å²	26.4	3%	0.028	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	153.1	177.4	173.1	0	0	0	0	111	S118 G119 R120 R155 F156	S116-S118 PolarHBondContact OG-N 3.28Å; S116-G119 PolarHBondContact OG-N 2.89Å; S116-G119 VanDerWaalsContact OG-N 3.08Å; S116-R120 PolarHBondContact OG-N 3.43Å; S116-R120 PolarHBondContact OG-O 3.24Å; S116-R155 PolarHBondContact O-N 2.87Å; S116-F156 PolarHBondContact N-O 2.87Å; S116-F156 WeakPolarHBondContact O-CB 3.31Å; S116-F156 PolarHBondContact O-N 3.41Å
117	D	91.5	Very high	91.2	Very high	45 Å²	45	27.5 Å²	27.5	24%	0.241	13%	0.133	C	C	.	.	S	Bend	trans	-85.8	-24.2	169.5	-74.2	-28.8	0	0	0	113.1	R90 A154 F156 W274	R90-D117 IonicContact CZ-OD1 3.88Å; R90-D117 IonicContact CZ-OD2 2.75Å; R90-D117 IonicContact NE-OD1 3.86Å; R90-D117 PolarHBondContact NE-OD1 2.03Å; R90-D117 VanDerWaalsContact NE-OD1 3.13Å; R90-D117 IonicContact NE-OD2 2.8Å; R90-D117 IonicContact NH2-OD2 3.77Å; D117-A154 WeakPolarHBondContact OD1-CA 3.23Å; D117-F156 WeakPolarHBondContact O-CE2 3.38Å; D117-W274 PolarHBondContact OD2-NE1 3.21Å
118	S	89.1	Confident	89.7	Confident	33 Å²	33	28.5 Å²	28.5	23%	0.231	14%	0.139	C	C	.	.	S	Bend	trans	-112.9	-5	-171.1	70.5	0	0	0	0	114	S116 R120	S116-S118 PolarHBondContact OG-N 3.28Å; S118-R120 PolarHBondContact O-N 2.78Å; S118-R120 PolarHBondContact OG-N 3.34Å; S118-R120 PolarHBondContact OG-O 2.76Å; S118-R120 VanDerWaalsContact OG-O 3.07Å
119	G	89.8	Confident	87.9	Confident	15 Å²	15	34 Å²	34	16%	0.155	17%	0.169	C	C	.	.	S	Bend	trans	73.2	2.2	-168.2	0	0	0	0	0	113.1	S116 W122 F156	S116-G119 PolarHBondContact OG-N 2.89Å; S116-G119 VanDerWaalsContact OG-N 3.08Å; G119-W122 WeakPolarHBondContact O-CZ2 3.37Å; G119-W122 PolarHBondContact O-NE1 2.81Å; G119-W122 VanDerWaalsContact O-NE1 3.07Å; G119-F156 VanDerWaalsContact N-CE2 3.35Å
120	R	89.3	Confident	86.6	Confident	90 Å²	90	32.2 Å²	32.2	34%	0.34	16%	0.158	S	C	.	.	S	Bend	trans	-125.3	165.7	171.7	-63	-158.2	-68	-87	-0.6	111.6	S116 S118 P369 D547	S116-R120 PolarHBondContact OG-N 3.43Å; S116-R120 PolarHBondContact OG-O 3.24Å; S118-R120 PolarHBondContact O-N 2.78Å; S118-R120 PolarHBondContact OG-N 3.34Å; S118-R120 PolarHBondContact OG-O 2.76Å; S118-R120 VanDerWaalsContact OG-O 3.07Å; R120-P369 HydrophobicContact CB-CG 4.16Å; R120-D547 WeakPolarHBondContact CA-OD2 3.19Å
121	N	90.7	Very high	85	Confident	12 Å²	12	33.4 Å²	33.4	6%	0.064	16%	0.163	C	C	.	.	S	Bend	trans	50	75.3	-175.7	-169.4	50.3	0	0	0	110.8	D271 H273 P369 D547	N121-D271 PolarHBondContact ND2-O 3.08Å; N121-H273 PolarHBondContact ND2-CE1 3.44Å; N121-H273 PolarHBondContact O-NE2 3.09Å; N121-P369 HydrophobicContact CB-CG 4.35Å; N121-D547 CarbonylContact C-O 3.19Å; N121-D547 WeakPolarHBondContact CA-O 2.97Å; N121-D547 VanDerWaalsContact N-CG 3.3Å; N121-D547 PolarHBondContact N-OD1 3.06Å; N121-D547 PolarHBondContact N-OD2 3.46Å
122	W	92.9	Very high	83.5	Confident	7 Å²	7	39.4 Å²	39.4	3%	0.027	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-78.8	136.7	-174.1	-67.3	84	0	0	0	111.5	Q84 M114 G119 F156 R158 D547 S548	Q84-W122 HydrophobicContact CG-CH2 3.96Å; Q84-W122 HydrophobicContact CG-CZ2 4.42Å; M114-W122 HydrophobicContact CB-CB 4.41Å; M114-W122 HydrophobicContact CB-CE3 3.82Å; G119-W122 WeakPolarHBondContact O-CZ2 3.37Å; G119-W122 PolarHBondContact O-NE1 2.81Å; G119-W122 VanDerWaalsContact O-NE1 3.07Å; W122-F156 HydrophobicContact CH2-CB 3.66Å; W122-F156 HydrophobicContact CZ3-CB 4.07Å; W122-R158 HydrophobicContact CE3-CB 3.97Å; W122-R158 HydrophobicContact CH2-CB 3.78Å; W122-R158 VanDerWaalsContact CZ2-NH2 3.31Å; W122-R158 HydrophobicContact CZ3-CB 3.49Å; W122-R158 VanDerWaalsContact CZ3-CB 3.49Å; W122-D547 PolarHBondContact N-O 2.63Å; W122-S548 WeakPolarHBondContact O-CB 3.05Å
123	K	91.8	Very high	82.7	Confident	55 Å²	55	38.6 Å²	38.6	24%	0.239	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.7	168.6	-166.4	151.6	-178.4	160.4	0	109.9	M114 F115 D271 H273	M114-K123 CarbonylContact C-O 3.59Å; M114-K123 VanDerWaalsContact CA-O 3.23Å; M114-K123 WeakPolarHBondContact CA-O 3.38Å; F115-K123 HydrophobicContact CD1-CB 4.35Å; F115-K123 WeakPolarHBondContact CD1-O 3.24Å; F115-K123 HydrophobicContact CD2-CB 4.3Å; F115-K123 HydrophobicContact CE1-CB 3.91Å; F115-K123 HydrophobicContact CE1-CG 3.93Å; F115-K123 HydrophobicContact CE2-CB 3.87Å; F115-K123 HydrophobicContact CE2-CD 4.15Å; F115-K123 HydrophobicContact CE2-CG 4.21Å; F115-K123 HydrophobicContact CZ-CB 3.66Å; F115-K123 HydrophobicContact CZ-CD 3.74Å; F115-K123 HydrophobicContact CZ-CG 3.59Å; F115-K123 PolarHBondContact N-O 2.9Å; F115-K123 PolarHBondContact O-N 2.88Å; K123-D271 IonicContact NZ-OD2 2.85Å; K123-D271 PolarHBondContact NZ-OD2 3.42Å; K123-H273 WeakPolarHBondContact CB-NE2 3.37Å; K123-H273 HydrophobicContact CD-CB 3.89Å
124	Q	91	Very high	82.3	Confident	23 Å²	23	39.5 Å²	39.5	11%	0.107	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	134.4	169.4	-173.2	177.8	-26.8	0	0	109.5	M114 I131	M114-Q124 HydrophobicContact CE-CB 3.9Å; M114-Q124 HydrophobicContact CE-CG 3.99Å; M114-Q124 WeakPolarHBondContact SD-CA 3.44Å; M114-Q124 HydrophobicContact SD-CB 3.53Å; M114-Q124 VanDerWaalsContact SD-CB 3.53Å; M114-Q124 HydrophobicContact SD-CG 4.03Å; Q124-I131 PolarHBondContact NE2-O 3.3Å
125	Y	90.2	Very high	81.9	Confident	15 Å²	15	41.6 Å²	41.6	6%	0.059	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-72.1	128.4	167.3	-176.9	-96.1	0	0	0	110	L113 F115 Q127 F134 L148 Q149 P150 I152	L113-Y125 WeakPolarHBondContact O-CB 3.45Å; L113-Y125 PolarHBondContact O-N 2.82Å; F115-Y125 HydrophobicContact CE1-CD2 4.49Å; Y125-Q127 HydrophobicContact CE1-CB 3.94Å; Y125-F134 AromaticContact CD1-CE2 3.88Å; Y125-F134 HydrophobicContact CD1-CE2 3.88Å; Y125-F134 AromaticContact CD1-CZ 3.5Å; Y125-F134 HydrophobicContact CD1-CZ 3.5Å; Y125-F134 HydrophobicContact CE1-CE2 4.49Å; Y125-F134 AromaticContact CE1-CZ 3.67Å; Y125-F134 HydrophobicContact CE1-CZ 3.67Å; Y125-L148 HydrophobicContact CD1-CD2 4.27Å; Y125-L148 HydrophobicContact CE1-CD2 3.78Å; Y125-L148 HydrophobicContact CE2-CB 4.21Å; Y125-L148 WeakPolarHBondContact OH-CA 3.49Å; Y125-Q149 PolarHBondContact OH-N 3.33Å; Y125-Q149 PolarHBondContact OH-O 2.86Å; Y125-P150 VanDerWaalsContact CE2-O 3.23Å; Y125-P150 WeakPolarHBondContact CE2-O 3.46Å; Y125-P150 PolarHBondContact OH-O 2.81Å; Y125-P150 VanDerWaalsContact OH-O 3.09Å; Y125-I152 HydrophobicContact CD2-CD1 3.5Å; Y125-I152 HydrophobicContact CD2-CG1 3.43Å; Y125-I152 VanDerWaalsContact CD2-CG1 3.43Å; Y125-I152 HydrophobicContact CE2-CD1 4.19Å; Y125-I152 HydrophobicContact CE2-CG1 3.79Å; Y125-I152 HydrophobicContact CG-CD1 3.98Å; Y125-I152 HydrophobicContact CG-CG1 4.39Å
126	R	81.7	Confident	81.6	Confident	71 Å²	71	40.4 Å²	40.4	27%	0.268	20%	0.199	S	C	.	.			trans	-122	132.3	174.9	-65	-176.3	179.3	127.2	-1.9	107.8	G550	R126-G550 PolarHBondContact NH2-O 3.45Å
127	Q	73.4	Confident	81.7	Confident	47 Å²	47	40.3 Å²	40.3	22%	0.22	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-109.5	128.3	172.1	178.4	158.8	57.8	0	0	107.2	Y125 D129 S130 Q149	Y125-Q127 HydrophobicContact CE1-CB 3.94Å; Q127-D129 PolarHBondContact O-N 3.18Å; Q127-S130 VanDerWaalsContact O-CB 3.3Å; Q127-S130 WeakPolarHBondContact O-CB 3.49Å; Q127-S130 PolarHBondContact O-N 3.02Å; Q127-Q149 PolarHBondContact NE2-O 3.12Å
128	E	65.7	Low	81.7	Confident	64 Å²	64	42 Å²	42	30%	0.299	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	34.3	-178.6	-56.1	172.5	172.3	0	0	112.3	S130 L911 Q913	E128-S130 PolarHBondContact O-N 2.85Å; E128-L911 HydrophobicContact CB-CD1 3.65Å; E128-L911 HydrophobicContact CG-CD1 3.55Å; E128-Q913 PolarHBondContact OE1-NE2 2.77Å
129	D	61.7	Low	81.9	Confident	116 Å²	116	43.3 Å²	43.3	62%	0.62	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	1.8	-172.3	-64.4	-47.9	0	0	0	116.4	Q127 I131	Q127-D129 PolarHBondContact O-N 3.18Å; D129-I131 PolarHBondContact O-N 3.22Å
130	S	64.9	Low	82.1	Confident	7 Å²	7	42.8 Å²	42.8	5%	0.049	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-66	131.1	173.3	-176.9	0	0	0	0	110.6	Q127 E128 W132 D907	Q127-S130 VanDerWaalsContact O-CB 3.3Å; Q127-S130 WeakPolarHBondContact O-CB 3.49Å; Q127-S130 PolarHBondContact O-N 3.02Å; E128-S130 PolarHBondContact O-N 2.85Å; S130-W132 VanDerWaalsContact C-N 3.29Å; S130-W132 VanDerWaalsContact OG-CB 3.24Å; S130-W132 WeakPolarHBondContact OG-CB 3.4Å; S130-W132 PolarHBondContact OG-N 3.33Å; S130-W132 VanDerWaalsContact OG-N 3.16Å; S130-D907 PolarHBondContact OG-O 3.27Å
131	I	58.1	Low	82.3	Confident	37 Å²	37	43 Å²	43	19%	0.19	23%	0.225	C	C	.	.			trans	-89.1	-6.7	171.8	-42.5	-169.7	0	0	0	109.6	Q124 D129 G133 D907	Q124-I131 PolarHBondContact NE2-O 3.3Å; D129-I131 PolarHBondContact O-N 3.22Å; I131-G133 PolarHBondContact O-N 3.16Å; I131-D907 HydrophobicContact CB-CB 4Å; I131-D907 VanDerWaalsContact CD1-OD1 3.27Å; I131-D907 WeakPolarHBondContact CD1-OD1 3.41Å; I131-D907 HydrophobicContact CG1-CB 4.31Å
132	W	62.5	Low	82.4	Confident	126 Å²	126	44.6 Å²	44.6	48%	0.477	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-59.4	136	-179.2	-154.6	70	0	0	0	110.8	S130 D907 H909	S130-W132 VanDerWaalsContact C-N 3.29Å; S130-W132 VanDerWaalsContact OG-CB 3.24Å; S130-W132 WeakPolarHBondContact OG-CB 3.4Å; S130-W132 PolarHBondContact OG-N 3.33Å; S130-W132 VanDerWaalsContact OG-N 3.16Å; W132-D907 PolarHBondContact N-O 2.77Å; W132-H909 AromaticContact CE3-CD2 3.99Å; W132-H909 AromaticContact CE3-NE2 3.49Å
133	G	74.3	Confident	82.6	Confident	5 Å²	5	47.3 Å²	47.3	5%	0.052	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-70	155.2	-176.8	0	0	0	0	0	112.5	Y111 I131 S135	Y111-G133 CarbonylContact O-C 3.53Å; Y111-G133 VanDerWaalsContact O-CA 3.23Å; Y111-G133 WeakPolarHBondContact O-CA 3.26Å; I131-G133 PolarHBondContact O-N 3.16Å; G133-S135 PolarHBondContact O-N 2.86Å
134	F	85	Confident	82.6	Confident	20 Å²	20	46.3 Å²	46.3	9%	0.088	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	132	170.6	-67.7	-84	0	0	0	109.6	S110 Y111 L113 Y125 G136 Y146 L148	S110-F134 CarbonylContact C-O 3.58Å; S110-F134 VanDerWaalsContact CA-O 3.26Å; S110-F134 WeakPolarHBondContact CA-O 3.14Å; Y111-F134 HydrophobicContact CD1-CB 4Å; Y111-F134 HydrophobicContact CD2-CB 4.31Å; Y111-F134 HydrophobicContact CD2-CD2 4.34Å; Y111-F134 HydrophobicContact CE1-CB 3.49Å; Y111-F134 VanDerWaalsContact CE1-CB 3.49Å; Y111-F134 HydrophobicContact CE1-CG 4.47Å; Y111-F134 HydrophobicContact CE2-CB 3.86Å; Y111-F134 AromaticContact CE2-CD2 3.86Å; Y111-F134 HydrophobicContact CE2-CD2 3.86Å; Y111-F134 HydrophobicContact CE2-CG 4.06Å; Y111-F134 HydrophobicContact CG-CB 4.38Å; Y111-F134 VanDerWaalsContact CZ-CB 3.41Å; Y111-F134 AromaticContact CZ-CG 3.91Å; Y111-F134 PolarHBondContact N-O 3.46Å; Y111-F134 PolarHBondContact O-N 2.89Å; L113-F134 HydrophobicContact CB-CD2 4.23Å; L113-F134 HydrophobicContact CB-CE2 3.69Å; L113-F134 HydrophobicContact CD2-CE2 4.44Å; Y125-F134 AromaticContact CD1-CE2 3.88Å; Y125-F134 HydrophobicContact CD1-CE2 3.88Å; Y125-F134 AromaticContact CD1-CZ 3.5Å; Y125-F134 HydrophobicContact CD1-CZ 3.5Å; Y125-F134 HydrophobicContact CE1-CE2 4.49Å; Y125-F134 AromaticContact CE1-CZ 3.67Å; Y125-F134 HydrophobicContact CE1-CZ 3.67Å; F134-G136 PolarHBondContact O-N 2.85Å; F134-Y146 HydrophobicContact CB-CD2 4.33Å; F134-Y146 HydrophobicContact CB-CE2 4.15Å; F134-Y146 AromaticContact CD1-CD1 3.65Å; F134-Y146 HydrophobicContact CD1-CD1 3.65Å; F134-Y146 AromaticContact CD1-CD2 3.76Å; F134-Y146 HydrophobicContact CD1-CD2 3.76Å; F134-Y146 HydrophobicContact CD1-CE1 4.05Å; F134-Y146 HydrophobicContact CD1-CE2 4.15Å; F134-Y146 AromaticContact CD1-CG 3.49Å; F134-Y146 HydrophobicContact CD1-CG 3.49Å; F134-Y146 VanDerWaalsContact CD1-CG 3.49Å; F134-Y146 HydrophobicContact CE1-CD1 4.04Å; F134-Y146 AromaticContact CE1-CG 3.93Å; F134-Y146 HydrophobicContact CE1-CG 3.93Å; F134-Y146 HydrophobicContact CG-CD2 4.44Å; F134-L148 HydrophobicContact CE1-CD2 4.06Å; F134-L148 HydrophobicContact CZ-CD2 3.71Å
135	S	85.7	Confident	82.7	Confident	46 Å²	46	50.5 Å²	50.5	32%	0.322	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	127.7	168.4	-53.4	0	0	0	0	108.8	G133 Y146	G133-S135 PolarHBondContact O-N 2.86Å; S135-Y146 VanDerWaalsContact CB-OH 3.25Å; S135-Y146 WeakPolarHBondContact CB-OH 3.48Å; S135-Y146 PolarHBondContact N-OH 3.27Å; S135-Y146 WeakPolarHBondContact O-CE2 3.44Å; S135-Y146 PolarHBondContact O-OH 3.49Å
136	G	90.2	Very high	82.7	Confident	11 Å²	11	52.8 Å²	52.8	11%	0.113	28%	0.277	C	S	.	.			trans	-86.1	-150.2	178.1	0	0	0	0	0	111.8	V108 T109 F134	V108-G136 CarbonylContact O-C 3.57Å; V108-G136 WeakPolarHBondContact O-CA 3.07Å; T109-G136 VanDerWaalsContact C-N 3.27Å; T109-G136 PolarHBondContact O-N 3.18Å; F134-G136 PolarHBondContact O-N 2.85Å
137	N	95.7	Very high	83.1	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.011	28%	0.284	C	S	.	.			trans	-86	150.8	-177	-53.7	96.4	0	0	0	112	T98 Q99 W107 V108 N139 S142	T98-N137 PolarHBondContact O-ND2 3.35Å; T98-N137 PolarHBondContact OG1-OD1 3.19Å; Q99-N137 WeakPolarHBondContact CA-ND2 3.45Å; Q99-N137 WeakPolarHBondContact CA-OD1 3.18Å; Q99-N137 PolarHBondContact N-OD1 3.35Å; W107-N137 HydrophobicContact CB-CB 4.27Å; V108-N137 PolarHBondContact O-N 3.39Å; N137-N139 WeakPolarHBondContact CB-O 3.12Å; N137-S142 PolarHBondContact ND2-O 3.06Å
138	A	92.4	Very high	83.9	Confident	81 Å²	81	52.5 Å²	52.5	67%	0.669	28%	0.275	S	S	*	.	S	Bend	trans	-94.3	-9.6	169.8	0	0	0	0	0	113.3	W107	W107-A138 WeakPolarHBondContact CZ2-O 3.37Å; W107-A138 PolarHBondContact NE1-O 3.4Å
139	N	94	Very high	84.9	Confident	60 Å²	60	55.6 Å²	55.6	32%	0.321	29%	0.289	S	S	.	.	S	Bend	trans	-156.9	-178.8	-179.1	63.1	63.6	0	0	0	110.4	N137 D141 S142	N137-N139 WeakPolarHBondContact CB-O 3.12Å; N139-D141 PolarHBondContact OD1-N 2.89Å; N139-S142 PolarHBondContact ND2-OG 3.12Å; N139-S142 WeakPolarHBondContact OD1-CB 3.34Å; N139-S142 PolarHBondContact OD1-N 2.54Å; N139-S142 PolarHBondContact OD1-OG 2.93Å
140	A	93	Very high	86.1	Confident	4 Å²	4	52.4 Å²	52.4	3%	0.033	28%	0.275	C	S	.	.	S	Bend	trans	-77.6	-23.5	-178.3	0	0	0	0	0	115.5	G100 G101 S104 W107 R173	G100-A140 CarbonylContact C-O 3.49Å; G100-A140 PolarHBondContact N-O 3.15Å; G101-A140 VanDerWaalsContact O-CB 3.28Å; G101-A140 WeakPolarHBondContact O-CB 3.4Å; S104-A140 WeakPolarHBondContact O-CB 3.38Å; W107-A140 HydrophobicContact CE3-CB 4.24Å; A140-R173 PolarHBondContact O-NH2 2.9Å
141	D	93.8	Very high	87.4	Confident	93 Å²	93	53.3 Å²	53.3	50%	0.497	28%	0.281	S	S	.	.	S	Bend	trans	-108.6	-32.8	-163.1	-61.4	-59.1	0	0	0	114.1	Q99 N139	Q99-D141 PolarHBondContact NE2-O 3.27Å; N139-D141 PolarHBondContact OD1-N 2.89Å
142	S	93.6	Very high	89.2	Confident	46 Å²	46	51.8 Å²	51.8	32%	0.322	27%	0.273	S	S	.	.			trans	-75	131.3	-177.4	64.4	0	0	0	0	111.3	N137 N139	N137-S142 PolarHBondContact ND2-O 3.06Å; N139-S142 PolarHBondContact ND2-OG 3.12Å; N139-S142 WeakPolarHBondContact OD1-CB 3.34Å; N139-S142 PolarHBondContact OD1-N 2.54Å; N139-S142 PolarHBondContact OD1-OG 2.93Å
143	V	95.8	Very high	90.7	Very high	65 Å²	65	48.1 Å²	48.1	39%	0.394	26%	0.261	S	S	.	.			trans	-77.5	132.3	173.4	-174.8	0	0	0	0	110	L63 A97 T98 Q99	L63-V143 HydrophobicContact CD1-CG1 4.11Å; L63-V143 HydrophobicContact CD1-CG2 4.17Å; L63-V143 HydrophobicContact CD2-CG1 4.17Å; L63-V143 HydrophobicContact CD2-CG2 4.42Å; A97-V143 HydrophobicContact CB-CG1 3.82Å; T98-V143 WeakPolarHBondContact O-CA 3.12Å; Q99-V143 HydrophobicContact CG-CB 4.5Å; Q99-V143 HydrophobicContact CG-CG2 3.93Å
144	V	93.1	Very high	91.7	Very high	33 Å²	33	48 Å²	48	20%	0.2	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	125	168.8	177.7	0	0	0	0	108.1	A97 T98 Y146	A97-V144 CarbonylContact C-O 3.38Å; A97-V144 VanDerWaalsContact CA-O 3.27Å; A97-V144 WeakPolarHBondContact CA-O 3.49Å; T98-V144 PolarHBondContact N-O 3.41Å; T98-V144 PolarHBondContact O-N 3.28Å; V144-Y146 HydrophobicContact CG1-CD2 4.14Å; V144-Y146 HydrophobicContact CG1-CE2 3.56Å
145	Y	93	Very high	92.1	Very high	111 Å²	111	51.2 Å²	51.2	44%	0.435	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	136.9	-172.9	178.1	-85.5	0	0	0	110.3	S95 V96 A97 R147 F177	S95-Y145 WeakPolarHBondContact CB-OH 3.43Å; S95-Y145 VanDerWaalsContact OG-CZ 3.25Å; S95-Y145 PolarHBondContact OG-OH 3.36Å; V96-Y145 WeakPolarHBondContact O-CA 3.36Å; A97-Y145 HydrophobicContact CB-CD2 4.32Å; Y145-R147 HydrophobicContact CE1-CB 4.35Å; Y145-F177 HydrophobicContact CD2-CD2 4.46Å; Y145-F177 HydrophobicContact CD2-CE2 4.12Å; Y145-F177 AromaticContact CE2-CD2 3.84Å; Y145-F177 HydrophobicContact CE2-CD2 3.84Å; Y145-F177 AromaticContact CE2-CE2 3.86Å; Y145-F177 HydrophobicContact CE2-CE2 3.86Å
146	Y	89.8	Confident	92.7	Very high	63 Å²	63	50.1 Å²	50.1	25%	0.247	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	131	173.3	-78.1	-85.3	0	0	0	110.9	S95 V96 F134 S135 V144	S95-Y146 CarbonylContact C-O 3.46Å; S95-Y146 WeakPolarHBondContact CA-O 3.48Å; S95-Y146 VanDerWaalsContact CB-O 3.24Å; S95-Y146 WeakPolarHBondContact CB-O 3.09Å; V96-Y146 PolarHBondContact N-O 2.97Å; V96-Y146 PolarHBondContact O-N 3.33Å; F134-Y146 HydrophobicContact CB-CD2 4.33Å; F134-Y146 HydrophobicContact CB-CE2 4.15Å; F134-Y146 AromaticContact CD1-CD1 3.65Å; F134-Y146 HydrophobicContact CD1-CD1 3.65Å; F134-Y146 AromaticContact CD1-CD2 3.76Å; F134-Y146 HydrophobicContact CD1-CD2 3.76Å; F134-Y146 HydrophobicContact CD1-CE1 4.05Å; F134-Y146 HydrophobicContact CD1-CE2 4.15Å; F134-Y146 AromaticContact CD1-CG 3.49Å; F134-Y146 HydrophobicContact CD1-CG 3.49Å; F134-Y146 VanDerWaalsContact CD1-CG 3.49Å; F134-Y146 HydrophobicContact CE1-CD1 4.04Å; F134-Y146 AromaticContact CE1-CG 3.93Å; F134-Y146 HydrophobicContact CE1-CG 3.93Å; F134-Y146 HydrophobicContact CG-CD2 4.44Å; S135-Y146 VanDerWaalsContact CB-OH 3.25Å; S135-Y146 WeakPolarHBondContact CB-OH 3.48Å; S135-Y146 PolarHBondContact N-OH 3.27Å; S135-Y146 WeakPolarHBondContact O-CE2 3.44Å; S135-Y146 PolarHBondContact O-OH 3.49Å; V144-Y146 HydrophobicContact CG1-CD2 4.14Å; V144-Y146 HydrophobicContact CG1-CE2 3.56Å
147	R	90	Very high	93	Very high	109 Å²	109	49.6 Å²	49.6	41%	0.411	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	127.6	167.1	-167.9	167.3	-171.2	100.4	-2.8	109.4	D34 S95 Y145 Q149	D34-R147 IonicContact OD1-NH1 2.76Å; D34-R147 PolarHBondContact OD1-NH1 2.97Å; D34-R147 IonicContact OD2-CZ 2.74Å; D34-R147 IonicContact OD2-NH1 3.06Å; D34-R147 PolarHBondContact OD2-NH1 2.84Å; D34-R147 IonicContact OD2-NH2 3.91Å; D34-R147 PolarHBondContact OD2-NH2 3.14Å; S95-R147 WeakPolarHBondContact OG-CA 3.39Å; Y145-R147 HydrophobicContact CE1-CB 4.35Å; R147-Q149 HydrophobicContact CG-CG 4.5Å
148	L	90.2	Very high	93.1	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	116	178.1	-52.9	-176.3	0	0	0	109.1	V93 T94 V96 L113 Y125 F134 P150 S151 I152	V93-L148 HydrophobicContact CG1-CD1 3.88Å; T94-L148 WeakPolarHBondContact O-CA 3.11Å; T94-L148 WeakPolarHBondContact O-CB 3.11Å; T94-L148 PolarHBondContact O-N 3.35Å; V96-L148 HydrophobicContact CG1-CD1 4.31Å; V96-L148 HydrophobicContact CG2-CD2 4.4Å; L113-L148 HydrophobicContact CD2-CD1 3.96Å; L113-L148 HydrophobicContact CD2-CD2 4.23Å; Y125-L148 HydrophobicContact CD1-CD2 4.27Å; Y125-L148 HydrophobicContact CE1-CD2 3.78Å; Y125-L148 HydrophobicContact CE2-CB 4.21Å; Y125-L148 WeakPolarHBondContact OH-CA 3.49Å; F134-L148 HydrophobicContact CE1-CD2 4.06Å; F134-L148 HydrophobicContact CZ-CD2 3.71Å; L148-P150 CarbonylContact C-O 3.39Å; L148-P150 CarbonylContact O-C 3.55Å; L148-S151 PolarHBondContact O-N 3.05Å; L148-I152 HydrophobicContact CD1-CD1 3.64Å; L148-I152 HydrophobicContact CD1-CG1 3.96Å
149	Q	85.6	Confident	93.3	Very high	129 Å²	129	46.5 Å²	46.5	60%	0.603	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	106.5	170.9	-70.1	179.3	-11.8	0	0	107.1	Y125 Q127 R147	Y125-Q149 PolarHBondContact OH-N 3.33Å; Y125-Q149 PolarHBondContact OH-O 2.86Å; Q127-Q149 PolarHBondContact NE2-O 3.12Å; R147-Q149 HydrophobicContact CG-CG 4.5Å
150	P	87.9	Confident	93.3	Very high	48 Å²	48	44.9 Å²	44.9	31%	0.312	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	cis	-74.7	160.7	2.6	30.1	-32.8	0	0	0	114.2	Y125 L148 E292	Y125-P150 VanDerWaalsContact CE2-O 3.23Å; Y125-P150 WeakPolarHBondContact CE2-O 3.46Å; Y125-P150 PolarHBondContact OH-O 2.81Å; Y125-P150 VanDerWaalsContact OH-O 3.09Å; L148-P150 CarbonylContact C-O 3.39Å; L148-P150 CarbonylContact O-C 3.55Å; P150-E292 WeakPolarHBondContact CB-OE1 3.28Å; P150-E292 WeakPolarHBondContact CD-OE1 3.46Å; P150-E292 WeakPolarHBondContact CG-OE1 3.44Å
151	S	92.8	Very high	93.4	Very high	26 Å²	26	44.7 Å²	44.7	18%	0.182	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	143.8	168.9	48.3	0	0	0	0	111.7	E92 V93 L148 K153	E92-S151 PolarHBondContact OE1-OG 3.36Å; V93-S151 CarbonylContact O-C 3.57Å; V93-S151 WeakPolarHBondContact O-CA 3.45Å; V93-S151 WeakPolarHBondContact O-CB 3.4Å; L148-S151 PolarHBondContact O-N 3.05Å; S151-K153 WeakPolarHBondContact O-CD 3.43Å; S151-K153 PolarHBondContact O-NZ 2.83Å; S151-K153 WeakPolarHBondContact OG-CE 3.49Å; S151-K153 PolarHBondContact OG-NZ 2.89Å
152	I	94.1	Very high	93.3	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.031	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	138.3	179.3	-63.7	171	0	0	0	109.7	E92 V93 L113 F115 Y125 L148 A154 L157	E92-I152 CarbonylContact C-O 3.51Å; E92-I152 WeakPolarHBondContact CA-O 3.43Å; V93-I152 HydrophobicContact CB-CB 4.2Å; V93-I152 PolarHBondContact N-O 2.87Å; V93-I152 PolarHBondContact O-N 2.76Å; L113-I152 HydrophobicContact CD2-CD1 3.67Å; L113-I152 HydrophobicContact CG-CD1 4.34Å; F115-I152 HydrophobicContact CB-CD1 4.46Å; F115-I152 HydrophobicContact CB-CG2 3.69Å; F115-I152 HydrophobicContact CD1-CD1 3.92Å; F115-I152 HydrophobicContact CD1-CG1 4.22Å; F115-I152 HydrophobicContact CD1-CG2 4.03Å; F115-I152 HydrophobicContact CD2-CG2 3.74Å; F115-I152 HydrophobicContact CE1-CG1 4.46Å; F115-I152 HydrophobicContact CE2-CG2 4.33Å; F115-I152 HydrophobicContact CG-CD1 4.38Å; F115-I152 HydrophobicContact CG-CG2 3.56Å; Y125-I152 HydrophobicContact CD2-CD1 3.5Å; Y125-I152 HydrophobicContact CD2-CG1 3.43Å; Y125-I152 VanDerWaalsContact CD2-CG1 3.43Å; Y125-I152 HydrophobicContact CE2-CD1 4.19Å; Y125-I152 HydrophobicContact CE2-CG1 3.79Å; Y125-I152 HydrophobicContact CG-CD1 3.98Å; Y125-I152 HydrophobicContact CG-CG1 4.39Å; L148-I152 HydrophobicContact CD1-CD1 3.64Å; L148-I152 HydrophobicContact CD1-CG1 3.96Å; I152-A154 HydrophobicContact CG2-CB 3.62Å; I152-L157 HydrophobicContact CD1-CD2 4.04Å; I152-L157 HydrophobicContact CG2-CD2 4.43Å
153	K	94.4	Very high	93.3	Very high	49 Å²	49	47.3 Å²	47.3	21%	0.213	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	91.5	172.1	-71.1	86.1	-167.2	173.1	0	109.6	R90 M91 E92 S151 Y181	R90-K153 PolarHBondContact NE-O 2.8Å; R90-K153 PolarHBondContact NH2-O 2.82Å; M91-K153 WeakPolarHBondContact O-CA 3.35Å; E92-K153 HydrophobicContact CB-CG 4.46Å; E92-K153 WeakPolarHBondContact OE1-CE 3.46Å; E92-K153 IonicContact OE1-NZ 2.71Å; E92-K153 PolarHBondContact OE1-NZ 2.82Å; E92-K153 VanDerWaalsContact OE1-NZ 3.16Å; S151-K153 WeakPolarHBondContact O-CD 3.43Å; S151-K153 PolarHBondContact O-NZ 2.83Å; S151-K153 WeakPolarHBondContact OG-CE 3.49Å; S151-K153 PolarHBondContact OG-NZ 2.89Å; K153-Y181 HydrophobicContact CB-CD1 4.46Å; K153-Y181 HydrophobicContact CG-CD1 4.34Å; K153-Y181 HydrophobicContact CG-CD2 4Å; K153-Y181 HydrophobicContact CG-CE1 4.38Å; K153-Y181 HydrophobicContact CG-CE2 4.07Å; K153-Y181 HydrophobicContact CG-CG 4.16Å
154	A	95.1	Very high	93.3	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.008	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	165.6	-171.2	0	0	0	0	0	112.5	M91 F115 D117 I152	M91-A154 PolarHBondContact N-O 2.95Å; M91-A154 PolarHBondContact O-N 3.19Å; F115-A154 HydrophobicContact CB-CB 3.87Å; F115-A154 HydrophobicContact CD2-CB 3.96Å; F115-A154 HydrophobicContact CG-CB 4.35Å; D117-A154 WeakPolarHBondContact OD1-CA 3.23Å; I152-A154 HydrophobicContact CG2-CB 3.62Å
155	R	94.8	Very high	93.6	Very high	88 Å²	88	46.3 Å²	46.3	33%	0.332	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-38.7	173.2	173.3	175.9	166.4	167.2	0.7	112.7	D86 L87 G88 E89 S116	D86-R155 VanDerWaalsContact OD1-CG 3.32Å; D86-R155 WeakPolarHBondContact OD1-CG 3.28Å; D86-R155 IonicContact OD1-CZ 3.49Å; D86-R155 IonicContact OD1-NE 3.52Å; D86-R155 PolarHBondContact OD1-NE 2.9Å; D86-R155 IonicContact OD1-NH2 2.7Å; D86-R155 PolarHBondContact OD1-NH2 2.74Å; D86-R155 IonicContact OD2-CZ 3.51Å; D86-R155 IonicContact OD2-NE 3.6Å; D86-R155 IonicContact OD2-NH2 3.67Å; D86-R155 PolarHBondContact OD2-NH2 2.76Å; L87-R155 VanDerWaalsContact CB-O 3.26Å; L87-R155 WeakPolarHBondContact CB-O 3.48Å; L87-R155 VanDerWaalsContact CG-O 3.29Å; L87-R155 WeakPolarHBondContact CG-O 3.32Å; L87-R155 PolarHBondContact N-O 2.91Å; G88-R155 PolarHBondContact O-NE 2.79Å; G88-R155 PolarHBondContact O-NH1 2.75Å; E89-R155 WeakPolarHBondContact O-CA 3.2Å; S116-R155 PolarHBondContact O-N 2.87Å
156	F	97	Very high	93.6	Very high	23 Å²	23	46.9 Å²	46.9	10%	0.101	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	139.4	-176.3	-60.1	-92.1	0	0	0	110.6	I85 D86 F115 S116 D117 G119 W122	I85-F156 WeakPolarHBondContact O-CA 3.48Å; D86-F156 HydrophobicContact CB-CD1 3.8Å; D86-F156 HydrophobicContact CB-CE1 3.57Å; F115-F156 VanDerWaalsContact CA-O 3.27Å; F115-F156 WeakPolarHBondContact CA-O 3.28Å; S116-F156 PolarHBondContact N-O 2.87Å; S116-F156 WeakPolarHBondContact O-CB 3.31Å; S116-F156 PolarHBondContact O-N 3.41Å; D117-F156 WeakPolarHBondContact O-CE2 3.38Å; G119-F156 VanDerWaalsContact N-CE2 3.35Å; W122-F156 HydrophobicContact CH2-CB 3.66Å; W122-F156 HydrophobicContact CZ3-CB 4.07Å
157	L	97.8	Very high	93.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	145.7	170.5	-70.5	168.4	0	0	0	109.9	Q84 I85 L87 V93 L113 M114 F115 I152 V176	Q84-L157 CarbonylContact C-O 3.55Å; Q84-L157 VanDerWaalsContact CA-O 3.27Å; Q84-L157 WeakPolarHBondContact CA-O 3.5Å; I85-L157 HydrophobicContact CD1-CB 4.08Å; I85-L157 HydrophobicContact CD1-CD1 4.1Å; I85-L157 HydrophobicContact CG1-CB 3.74Å; I85-L157 PolarHBondContact N-O 2.93Å; I85-L157 PolarHBondContact O-N 2.93Å; I85-L157 VanDerWaalsContact O-N 3.07Å; L87-L157 HydrophobicContact CD1-CD1 4.4Å; V93-L157 HydrophobicContact CG1-CD1 4.17Å; V93-L157 HydrophobicContact CG2-CD1 4.04Å; L113-L157 HydrophobicContact CD1-CD2 4.18Å; L113-L157 HydrophobicContact CG-CD2 4.36Å; M114-L157 CarbonylContact O-C 3.51Å; M114-L157 WeakPolarHBondContact O-CA 3.48Å; F115-L157 HydrophobicContact CB-CD2 3.78Å; I152-L157 HydrophobicContact CD1-CD2 4.04Å; I152-L157 HydrophobicContact CG2-CD2 4.43Å; L157-V176 HydrophobicContact CD1-CB 4.34Å; L157-V176 HydrophobicContact CD1-CG1 3.63Å; L157-V176 HydrophobicContact CD1-CG2 3.84Å
158	R	96	Very high	94.1	Very high	19 Å²	19	48.4 Å²	48.4	7%	0.072	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	124.6	177	178.8	-174.2	-72.8	172.4	0.7	110.3	W82 L83 Q84 M114 W122 I160	W82-R158 HydrophobicContact CB-CG 3.63Å; W82-R158 HydrophobicContact CD2-CG 4.49Å; W82-R158 HydrophobicContact CE3-CG 4.39Å; W82-R158 HydrophobicContact CG-CG 4.22Å; L83-R158 CarbonylContact O-C 3.53Å; L83-R158 VanDerWaalsContact O-CA 3.26Å; L83-R158 WeakPolarHBondContact O-CA 3.25Å; Q84-R158 HydrophobicContact CB-CB 4.4Å; Q84-R158 HydrophobicContact CB-CG 4.48Å; M114-R158 HydrophobicContact CB-CB 4.15Å; M114-R158 PolarHBondContact N-O 2.84Å; M114-R158 PolarHBondContact O-N 3.48Å; W122-R158 HydrophobicContact CE3-CB 3.97Å; W122-R158 HydrophobicContact CH2-CB 3.78Å; W122-R158 VanDerWaalsContact CZ2-NH2 3.31Å; W122-R158 HydrophobicContact CZ3-CB 3.49Å; W122-R158 VanDerWaalsContact CZ3-CB 3.49Å; R158-I160 HydrophobicContact CG-CG1 4.11Å
159	F	96.8	Very high	94.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	123.6	173.8	-66.1	-103.9	0	0	0	108.4	W82 L83 V96 T98 Y111 L113 M172 I174 V176	W82-F159 VanDerWaalsContact CA-O 3.31Å; W82-F159 WeakPolarHBondContact CA-O 3.31Å; L83-F159 HydrophobicContact CB-CB 4.48Å; L83-F159 PolarHBondContact N-O 3.23Å; L83-F159 PolarHBondContact O-N 2.89Å; V96-F159 HydrophobicContact CB-CE1 4.28Å; V96-F159 HydrophobicContact CB-CZ 4.26Å; V96-F159 HydrophobicContact CG1-CE1 4.45Å; V96-F159 HydrophobicContact CG1-CZ 4.09Å; T98-F159 HydrophobicContact CG2-CD1 4.34Å; T98-F159 HydrophobicContact CG2-CE1 4.13Å; Y111-F159 AromaticContact CD2-CD1 3.78Å; Y111-F159 HydrophobicContact CD2-CD1 3.78Å; Y111-F159 HydrophobicContact CD2-CE1 4.49Å; Y111-F159 AromaticContact CE2-CD1 3.61Å; Y111-F159 HydrophobicContact CE2-CD1 3.61Å; Y111-F159 AromaticContact CE2-CE1 3.87Å; Y111-F159 HydrophobicContact CE2-CE1 3.87Å; L113-F159 HydrophobicContact CD1-CD1 4.2Å; L113-F159 HydrophobicContact CD1-CD2 4.27Å; L113-F159 HydrophobicContact CD1-CE1 3.98Å; L113-F159 HydrophobicContact CD1-CE2 4.02Å; L113-F159 HydrophobicContact CD1-CG 4.34Å; L113-F159 HydrophobicContact CD1-CZ 3.88Å; F159-M172 HydrophobicContact CB-CE 4.26Å; F159-M172 HydrophobicContact CD1-CE 4.25Å; F159-I174 HydrophobicContact CD1-CG2 4.15Å; F159-I174 HydrophobicContact CD2-CD1 3.71Å; F159-I174 HydrophobicContact CD2-CG2 4.42Å; F159-I174 HydrophobicContact CE1-CG2 4.07Å; F159-I174 HydrophobicContact CE2-CB 4.42Å; F159-I174 HydrophobicContact CE2-CD1 3.36Å; F159-I174 HydrophobicContact CE2-CG1 4.49Å; F159-I174 HydrophobicContact CE2-CG2 4.37Å; F159-I174 HydrophobicContact CG-CG2 4.33Å; F159-I174 HydrophobicContact CZ-CB 4.25Å; F159-I174 HydrophobicContact CZ-CD1 4.01Å; F159-I174 HydrophobicContact CZ-CG2 4.19Å; F159-V176 HydrophobicContact CE2-CG2 4.37Å; F159-V176 HydrophobicContact CZ-CG2 4.16Å
160	I	94.4	Very high	95	Very high	26 Å²	26	46.4 Å²	46.4	13%	0.133	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	104.7	-179.3	-56.8	-175.4	0	0	0	108.6	W82 Y111 L112 M114 R158 L162	W82-I160 HydrophobicContact CB-CG1 4.2Å; Y111-I160 CarbonylContact C-O 3.52Å; Y111-I160 WeakPolarHBondContact CA-O 3.46Å; Y111-I160 WeakPolarHBondContact CB-O 3.23Å; L112-I160 HydrophobicContact CB-CB 4.25Å; L112-I160 PolarHBondContact N-O 2.82Å; L112-I160 PolarHBondContact O-N 2.92Å; M114-I160 HydrophobicContact CE-CD1 3.73Å; M114-I160 HydrophobicContact CG-CD1 3.53Å; M114-I160 HydrophobicContact CG-CG1 4.19Å; M114-I160 HydrophobicContact SD-CD1 4.44Å; R158-I160 HydrophobicContact CG-CG1 4.11Å; I160-L162 PolarHBondContact O-N 2.92Å
161	P	95.9	Very high	95.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	128.2	175	-23	35.1	0	0	0	111.5	W72 Q81 V108 I170 M172	W72-P161 HydrophobicContact CH2-CG 4.42Å; W72-P161 HydrophobicContact CZ3-CG 4.22Å; Q81-P161 VanDerWaalsContact O-CD 3.3Å; Q81-P161 WeakPolarHBondContact O-CD 3.49Å; V108-P161 HydrophobicContact CG1-CB 4.05Å; V108-P161 HydrophobicContact CG2-CB 3.83Å; V108-P161 HydrophobicContact CG2-CG 4.03Å; P161-I170 HydrophobicContact CB-CD1 3.83Å; P161-I170 HydrophobicContact CB-CG1 4.09Å; P161-I170 HydrophobicContact CB-CG2 4.23Å; P161-I170 HydrophobicContact CG-CD1 4.11Å; P161-I170 HydrophobicContact CG-CG1 4.45Å; P161-I170 HydrophobicContact CG-CG2 3.74Å; P161-M172 HydrophobicContact CG-SD 3.85Å
162	L	90.8	Very high	95.7	Very high	66 Å²	66	42.9 Å²	42.9	35%	0.346	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-49	173.1	-64.8	-179	0	0	0	110.8	S110 L112 I160	S110-L162 PolarHBondContact O-N 3.02Å; L112-L162 HydrophobicContact CD1-CD2 4.06Å; L112-L162 HydrophobicContact CD2-CD1 3.8Å; L112-L162 HydrophobicContact CG-CD1 3.8Å; L112-L162 HydrophobicContact CG-CD2 3.96Å; L112-L162 HydrophobicContact CG-CG 4Å; I160-L162 PolarHBondContact O-N 2.92Å
163	E	94	Very high	95.8	Very high	127 Å²	127	42.8 Å²	42.8	59%	0.593	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-135.1	153.8	-179	-62.2	-171.8	172.7	0	0	110.8	V108 T109 S110	V108-E163 CarbonylContact C-O 3.51Å; V108-E163 WeakPolarHBondContact CA-O 3.46Å; V108-E163 WeakPolarHBondContact CG1-O 3.14Å; T109-E163 PolarHBondContact N-O 3.06Å; T109-E163 VanDerWaalsContact OG1-CB 3.27Å; T109-E163 WeakPolarHBondContact OG1-CB 3.17Å; T109-E163 PolarHBondContact OG1-O 2.78Å; S110-E163 PolarHBondContact N-O 2.9Å; S110-E163 PolarHBondContact O-N 2.93Å
164	W	96.7	Very high	96	Very high	62 Å²	62	40.4 Å²	40.4	24%	0.235	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	170.5	-179.9	55.4	89.3	0	0	0	110.4	S77 W107 T109 P166 I170	S77-W164 VanDerWaalsContact O-CZ2 3.29Å; S77-W164 WeakPolarHBondContact O-CZ2 3.02Å; W107-W164 VanDerWaalsContact O-CA 3.31Å; W107-W164 WeakPolarHBondContact O-CA 3.2Å; W107-W164 WeakPolarHBondContact O-CB 3.47Å; T109-W164 PolarHBondContact OG1-N 2.85Å; W164-P166 WeakPolarHBondContact O-CD 3.35Å; W164-P166 VanDerWaalsContact O-N 3.1Å; W164-I170 HydrophobicContact CB-CG1 4.3Å; W164-I170 HydrophobicContact CD2-CD1 4.27Å; W164-I170 HydrophobicContact CD2-CG1 3.62Å; W164-I170 HydrophobicContact CE3-CD1 3.81Å; W164-I170 HydrophobicContact CE3-CG1 3.54Å; W164-I170 HydrophobicContact CG-CG1 3.96Å; W164-I170 HydrophobicContact CH2-CD1 4.43Å; W164-I170 HydrophobicContact CZ3-CD1 3.9Å; W164-I170 HydrophobicContact CZ3-CG1 4.15Å
165	N	97.5	Very high	96.1	Very high	16 Å²	16	40.7 Å²	40.7	9%	0.086	20%	0.195	C	C	.	.			trans	-52.1	118.5	176.2	-178	12.6	0	0	0	111.2	S105 W107 K167 G168	S105-N165 PolarHBondContact O-ND2 3.01Å; W107-N165 HydrophobicContact CD2-CB 3.93Å; W107-N165 HydrophobicContact CG-CB 4.29Å; W107-N165 HydrophobicContact CH2-CB 4.48Å; W107-N165 WeakPolarHBondContact CH2-ND2 3.38Å; W107-N165 HydrophobicContact CZ2-CB 3.8Å; W107-N165 VanDerWaalsContact CZ2-CG 3.42Å; W107-N165 WeakPolarHBondContact CZ2-ND2 3.26Å; W107-N165 PolarHBondContact O-N 2.81Å; N165-K167 PolarHBondContact O-N 2.99Å; N165-K167 VanDerWaalsContact O-N 3.11Å; N165-K167 PolarHBondContact OD1-N 2.83Å; N165-K167 VanDerWaalsContact OD1-N 3.13Å; N165-G168 CarbonylContact O-C 3.51Å; N165-G168 PolarHBondContact O-N 3.01Å
166	P	94.8	Very high	96.3	Very high	122 Å²	122	36.5 Å²	36.5	79%	0.792	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-19.3	-179.4	25.4	-35	0	0	0	113	W164 G168	W164-P166 WeakPolarHBondContact O-CD 3.35Å; W164-P166 VanDerWaalsContact O-N 3.1Å; P166-G168 VanDerWaalsContact C-N 3.34Å
167	K	95.1	Very high	96.3	Very high	185 Å²	185	37.3 Å²	37.3	80%	0.804	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	1	174.8	-60.9	-178.3	-179.4	177.5	0	113.5	N165	N165-K167 PolarHBondContact O-N 2.99Å; N165-K167 VanDerWaalsContact O-N 3.11Å; N165-K167 PolarHBondContact OD1-N 2.83Å; N165-K167 VanDerWaalsContact OD1-N 3.13Å
168	G	95.2	Very high	96.2	Very high	20 Å²	20	37.3 Å²	37.3	21%	0.206	18%	0.182	C	C	.	.	S	Bend	trans	-141	-150.3	-175.5	0	0	0	0	0	112.1	N165 P166	N165-G168 CarbonylContact O-C 3.51Å; N165-G168 PolarHBondContact O-N 3.01Å; P166-G168 VanDerWaalsContact C-N 3.34Å
169	R	96	Very high	96.2	Very high	90 Å²	90	38 Å²	38	34%	0.34	19%	0.19	S	C	.	.			trans	-129	175.1	-179	-56.8	179.9	71.9	134.6	-1.3	110.2	L75 N106 W107 G171	L75-R169 PolarHBondContact O-NH2 3.36Å; N106-R169 CarbonylContact C-O 3.58Å; N106-R169 VanDerWaalsContact CA-O 3.24Å; N106-R169 WeakPolarHBondContact CA-O 3.36Å; N106-R169 HydrophobicContact CB-CB 4.5Å; N106-R169 WeakPolarHBondContact CB-O 3.5Å; N106-R169 PolarHBondContact OD1-N 3.43Å; W107-R169 PolarHBondContact N-O 3.19Å; R169-G171 PolarHBondContact O-N 3.48Å
170	I	98	Very high	96.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.216	C	C	.	.			trans	-60.6	122.4	163.7	-65	171.1	0	0	0	108.5	W72 S73 P74 S77 Q81 V108 P161 W164	W72-I170 HydrophobicContact CE3-CG2 4.39Å; W72-I170 HydrophobicContact CH2-CG2 4.15Å; W72-I170 HydrophobicContact CZ3-CG2 3.73Å; S73-I170 VanDerWaalsContact CB-O 3.28Å; S73-I170 WeakPolarHBondContact CB-O 3.33Å; S73-I170 PolarHBondContact OG-O 3.05Å; P74-I170 HydrophobicContact CG-CB 3.81Å; P74-I170 HydrophobicContact CG-CD1 3.99Å; P74-I170 HydrophobicContact CG-CG1 4.48Å; P74-I170 HydrophobicContact CG-CG2 3.88Å; S77-I170 PolarHBondContact OG-N 3.46Å; Q81-I170 HydrophobicContact CB-CD1 4.03Å; Q81-I170 HydrophobicContact CG-CD1 4.04Å; V108-I170 HydrophobicContact CG2-CB 4.47Å; V108-I170 HydrophobicContact CG2-CG2 3.9Å; P161-I170 HydrophobicContact CB-CD1 3.83Å; P161-I170 HydrophobicContact CB-CG1 4.09Å; P161-I170 HydrophobicContact CB-CG2 4.23Å; P161-I170 HydrophobicContact CG-CD1 4.11Å; P161-I170 HydrophobicContact CG-CG1 4.45Å; P161-I170 HydrophobicContact CG-CG2 3.74Å; W164-I170 HydrophobicContact CB-CG1 4.3Å; W164-I170 HydrophobicContact CD2-CD1 4.27Å; W164-I170 HydrophobicContact CD2-CG1 3.62Å; W164-I170 HydrophobicContact CE3-CD1 3.81Å; W164-I170 HydrophobicContact CE3-CG1 3.54Å; W164-I170 HydrophobicContact CG-CG1 3.96Å; W164-I170 HydrophobicContact CH2-CD1 4.43Å; W164-I170 HydrophobicContact CZ3-CD1 3.9Å; W164-I170 HydrophobicContact CZ3-CG1 4.15Å
171	G	97.3	Very high	96	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.219	C	C	.	.			trans	-143.1	125.8	172.2	0	0	0	0	0	108.8	W72 W107 R169	W72-G171 WeakPolarHBondContact O-CA 3.25Å; W107-G171 WeakPolarHBondContact CA-O 3.2Å; R169-G171 PolarHBondContact O-N 3.48Å
172	M	97.7	Very high	95.6	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-139.1	143.3	-177.5	-58.2	-172.6	77	0	0	113.4	W72 L83 T98 Q99 V108 F159 P161 I174	W72-M172 HydrophobicContact CE3-CB 4.11Å; W72-M172 HydrophobicContact CE3-CG 4.31Å; W72-M172 HydrophobicContact CZ3-CG 4.33Å; W72-M172 HydrophobicContact CZ3-SD 4.1Å; W72-M172 PolarHBondContact N-O 3.28Å; W72-M172 PolarHBondContact O-N 3.17Å; L83-M172 HydrophobicContact CD2-CB 4.48Å; T98-M172 HydrophobicContact CG2-CE 4.07Å; Q99-M172 CarbonylContact O-C 3.29Å; Q99-M172 WeakPolarHBondContact O-CA 3.42Å; V108-M172 HydrophobicContact CB-CE 4.37Å; V108-M172 HydrophobicContact CB-CG 4.12Å; V108-M172 HydrophobicContact CB-SD 4.24Å; V108-M172 HydrophobicContact CG1-CE 4.47Å; V108-M172 HydrophobicContact CG1-SD 4.5Å; V108-M172 HydrophobicContact CG2-CE 4.47Å; V108-M172 HydrophobicContact CG2-CG 3.46Å; V108-M172 VanDerWaalsContact CG2-CG 3.46Å; V108-M172 HydrophobicContact CG2-SD 3.7Å; F159-M172 HydrophobicContact CB-CE 4.26Å; F159-M172 HydrophobicContact CD1-CE 4.25Å; P161-M172 HydrophobicContact CG-SD 3.85Å; M172-I174 HydrophobicContact CE-CG2 4.3Å
173	R	97.7	Very high	95.5	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.015	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.6	161.7	-70.3	178.3	-70	167.2	4.6	107.8	R62 R65 G70 T98 Q99 G100 A140	R62-R173 WeakPolarHBondContact O-CB 3.18Å; R62-R173 WeakPolarHBondContact O-CD 3.04Å; R65-R173 VanDerWaalsContact O-CD 3.25Å; R65-R173 WeakPolarHBondContact O-CD 3.48Å; R65-R173 PolarHBondContact O-NH1 2.84Å; G70-R173 VanDerWaalsContact O-CD 3.24Å; G70-R173 WeakPolarHBondContact O-CD 3.21Å; G70-R173 PolarHBondContact O-NE 3.39Å; T98-R173 CarbonylContact C-O 3.59Å; T98-R173 WeakPolarHBondContact CA-O 3.42Å; Q99-R173 HydrophobicContact CB-CB 4.02Å; Q99-R173 PolarHBondContact N-O 2.87Å; Q99-R173 PolarHBondContact O-N 2.84Å; Q99-R173 VanDerWaalsContact OE1-CZ 3.29Å; G100-R173 VanDerWaalsContact O-CZ 3.25Å; G100-R173 PolarHBondContact O-NE 2.81Å; G100-R173 PolarHBondContact O-NH2 2.96Å; A140-R173 PolarHBondContact O-NH2 2.9Å
174	I	97.6	Very high	95.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	156.8	-172.3	62	162.4	0	0	0	112.4	A61 L63 L83 I85 A97 T98 F159 M172	A61-I174 VanDerWaalsContact O-CG1 3.24Å; A61-I174 WeakPolarHBondContact O-CG1 3.24Å; A61-I174 PolarHBondContact O-N 3.3Å; L63-I174 PolarHBondContact N-O 3.16Å; L83-I174 HydrophobicContact CD2-CD1 3.97Å; L83-I174 HydrophobicContact CD2-CG1 4.13Å; L83-I174 HydrophobicContact CD2-CG2 4.22Å; I85-I174 HydrophobicContact CD1-CD1 4.28Å; I85-I174 HydrophobicContact CG2-CD1 3.82Å; A97-I174 VanDerWaalsContact O-CA 3.26Å; A97-I174 WeakPolarHBondContact O-CA 3.3Å; T98-I174 HydrophobicContact CG2-CG2 4.27Å; F159-I174 HydrophobicContact CD1-CG2 4.15Å; F159-I174 HydrophobicContact CD2-CD1 3.71Å; F159-I174 HydrophobicContact CD2-CG2 4.42Å; F159-I174 HydrophobicContact CE1-CG2 4.07Å; F159-I174 HydrophobicContact CE2-CB 4.42Å; F159-I174 HydrophobicContact CE2-CD1 3.36Å; F159-I174 HydrophobicContact CE2-CG1 4.49Å; F159-I174 HydrophobicContact CE2-CG2 4.37Å; F159-I174 HydrophobicContact CG-CG2 4.33Å; F159-I174 HydrophobicContact CZ-CB 4.25Å; F159-I174 HydrophobicContact CZ-CD1 4.01Å; F159-I174 HydrophobicContact CZ-CG2 4.19Å; M172-I174 HydrophobicContact CE-CG2 4.3Å
175	E	97.6	Very high	95.2	Very high	7 Å²	7	43.2 Å²	43.2	3%	0.033	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	151.6	162.7	-177.5	58.6	-86.7	0	0	108.3	P36 L37 V38 S39 L63 A97 F177	P36-E175 HydrophobicContact CB-CG 4.23Å; L37-E175 PolarHBondContact N-OE1 3.35Å; V38-E175 WeakPolarHBondContact CA-OE1 3.06Å; V38-E175 WeakPolarHBondContact CB-OE1 3.33Å; V38-E175 WeakPolarHBondContact CG2-OE1 3.39Å; V38-E175 PolarHBondContact N-OE1 3.31Å; S39-E175 WeakPolarHBondContact CB-OE2 3.21Å; S39-E175 PolarHBondContact N-OE2 3.1Å; S39-E175 PolarHBondContact OG-OE2 3.07Å; L63-E175 HydrophobicContact CB-CB 3.69Å; L63-E175 HydrophobicContact CD2-CB 3.72Å; L63-E175 HydrophobicContact CD2-CG 4.49Å; L63-E175 HydrophobicContact CG-CB 4.27Å; A97-E175 HydrophobicContact CB-CB 4.36Å; A97-E175 PolarHBondContact N-O 2.91Å; A97-E175 PolarHBondContact O-N 2.87Å; E175-F177 HydrophobicContact CB-CE2 4.1Å; E175-F177 HydrophobicContact CB-CZ 4.15Å; E175-F177 HydrophobicContact CG-CD1 4.49Å; E175-F177 HydrophobicContact CG-CD2 4.34Å; E175-F177 HydrophobicContact CG-CE1 3.87Å; E175-F177 HydrophobicContact CG-CE2 3.69Å; E175-F177 HydrophobicContact CG-CZ 3.42Å; E175-F177 VanDerWaalsContact CG-CZ 3.42Å
176	V	97.9	Very high	95.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	134.2	177.8	179.1	0	0	0	0	107.5	L37 V38 I85 V93 V96 L157 F159	L37-V176 WeakPolarHBondContact CB-O 3.29Å; L37-V176 HydrophobicContact CD1-CG1 4.31Å; L37-V176 PolarHBondContact N-O 2.61Å; V38-V176 HydrophobicContact CG2-CB 3.72Å; V38-V176 HydrophobicContact CG2-CG2 3.74Å; I85-V176 HydrophobicContact CD1-CB 4.39Å; I85-V176 HydrophobicContact CD1-CG2 3.59Å; V93-V176 HydrophobicContact CB-CG1 4.16Å; V93-V176 HydrophobicContact CG1-CG1 3.27Å; V93-V176 HydrophobicContact CG2-CG1 3.86Å; V96-V176 HydrophobicContact CG1-CG2 4.26Å; L157-V176 HydrophobicContact CD1-CB 4.34Å; L157-V176 HydrophobicContact CD1-CG1 3.63Å; L157-V176 HydrophobicContact CD1-CG2 3.84Å; F159-V176 HydrophobicContact CE2-CG2 4.37Å; F159-V176 HydrophobicContact CZ-CG2 4.16Å
177	F	97.8	Very high	95.1	Very high	39 Å²	39	37.5 Å²	37.5	17%	0.171	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	146.4	-178	-56.4	-91.4	0	0	0	110.6	D34 E35 P36 V93 T94 S95 A97 Y145 E175	D34-F177 WeakPolarHBondContact O-CD1 3.32Å; E35-F177 CarbonylContact O-C 3.47Å; E35-F177 VanDerWaalsContact O-CA 3.24Å; E35-F177 WeakPolarHBondContact O-CA 3.41Å; P36-F177 HydrophobicContact CB-CD1 4.2Å; P36-F177 HydrophobicContact CB-CE1 4.06Å; V93-F177 WeakPolarHBondContact CA-O 3.12Å; T94-F177 PolarHBondContact N-O 3.4Å; T94-F177 PolarHBondContact OG1-O 3.22Å; S95-F177 PolarHBondContact N-O 2.88Å; S95-F177 PolarHBondContact O-N 3.07Å; A97-F177 HydrophobicContact CB-CE2 3.91Å; Y145-F177 HydrophobicContact CD2-CD2 4.46Å; Y145-F177 HydrophobicContact CD2-CE2 4.12Å; Y145-F177 AromaticContact CE2-CD2 3.84Å; Y145-F177 HydrophobicContact CE2-CD2 3.84Å; Y145-F177 AromaticContact CE2-CE2 3.86Å; Y145-F177 HydrophobicContact CE2-CE2 3.86Å; E175-F177 HydrophobicContact CB-CE2 4.1Å; E175-F177 HydrophobicContact CB-CZ 4.15Å; E175-F177 HydrophobicContact CG-CD1 4.49Å; E175-F177 HydrophobicContact CG-CD2 4.34Å; E175-F177 HydrophobicContact CG-CE1 3.87Å; E175-F177 HydrophobicContact CG-CE2 3.69Å; E175-F177 HydrophobicContact CG-CZ 3.42Å; E175-F177 VanDerWaalsContact CG-CZ 3.42Å
178	G	96.4	Very high	95	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165	-154.5	-177.1	0	0	0	0	0	114	C33 E35 E92	C33-G178 WeakPolarHBondContact O-CA 3.35Å; E35-G178 WeakPolarHBondContact CB-O 3.22Å; E35-G178 PolarHBondContact N-O 2.79Å; E35-G178 PolarHBondContact O-N 3.3Å; E92-G178 CarbonylContact O-C 3.53Å; E92-G178 WeakPolarHBondContact O-CA 3.43Å
179	C	95.8	Very high	94.8	Very high	34 Å²	34	31.2 Å²	31.2	23%	0.23	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	170.1	178.9	64.5	0	0	0	0	112.3	C33 E92 Y181	C33-C179 HydrophobicContact CB-CB 3.96Å; C33-C179 WeakPolarHBondContact CB-SG 3.41Å; C33-C179 WeakPolarHBondContact SG-CB 3.44Å; C33-C179 PolarHBondContact SG-N 2.94Å; C33-C179 CovalentContact SG-SG 2.05Å; C33-C179 PolarHBondContact SG-SG 3.13Å; E92-C179 PolarHBondContact N-O 2.93Å; E92-C179 PolarHBondContact O-N 2.96Å; C179-Y181 PolarHBondContact O-N 2.95Å
180	A	93.4	Very high	94.5	Very high	68 Å²	68	28 Å²	28	56%	0.562	15%	0.151	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	132.1	177.4	0	0	0	0	0	111.2	M91	M91-A180 HydrophobicContact CE-CB 4.16Å; M91-A180 HydrophobicContact SD-CB 4.34Å
181	Y	92.1	Very high	94.1	Very high	45 Å²	45	36 Å²	36	18%	0.176	19%	0.186	C	C	.	.			trans	-105.7	120.8	-180	-178.6	-104.4	0	0	0	111.4	R90 E92 K153 C179 S183 K213 N337	R90-Y181 HydrophobicContact CG-CD1 4.48Å; R90-Y181 PolarHBondContact O-N 3.01Å; E92-Y181 HydrophobicContact CB-CD2 4.38Å; K153-Y181 HydrophobicContact CB-CD1 4.46Å; K153-Y181 HydrophobicContact CG-CD1 4.34Å; K153-Y181 HydrophobicContact CG-CD2 4Å; K153-Y181 HydrophobicContact CG-CE1 4.38Å; K153-Y181 HydrophobicContact CG-CE2 4.07Å; K153-Y181 HydrophobicContact CG-CG 4.16Å; C179-Y181 PolarHBondContact O-N 2.95Å; Y181-S183 PolarHBondContact O-N 3.45Å; Y181-K213 PolarHBondContact OH-NZ 3.14Å; Y181-N337 PolarHBondContact OH-ND2 3.09Å; Y181-N337 VanDerWaalsContact OH-ND2 3.15Å
182	R	88.5	Confident	93.8	Very high	199 Å²	199	36 Å²	36	75%	0.751	19%	0.186	S	C	*	.			trans	-75.5	116.5	177.7	-174.2	176.5	175.1	179.2	-3.4	110.9	N337	R182-N337 PolarHBondContact O-ND2 2.91Å
183	S	87.6	Confident	93.6	Very high	48 Å²	48	36.2 Å²	36.2	34%	0.336	19%	0.187	S	C	.	.			trans	-117.8	111.7	-177.1	-179.3	0	0	0	0	110.9	Y181 V185 E336	Y181-S183 PolarHBondContact O-N 3.45Å; S183-V185 VanDerWaalsContact OG-CG2 3.3Å; S183-V185 WeakPolarHBondContact OG-CG2 3.36Å; S183-E336 WeakPolarHBondContact CB-OE1 3.46Å; S183-E336 PolarHBondContact OG-OE1 3.28Å
184	V	92.8	Very high	93.4	Very high	14 Å²	14	36 Å²	36	9%	0.085	19%	0.187	C	C	.	.			trans	-109.9	106.6	174	-175.8	0	0	0	0	108.4	E336 N337 I346 K350	V184-E336 CarbonylContact O-C 3.55Å; V184-E336 VanDerWaalsContact O-CA 3.31Å; V184-E336 WeakPolarHBondContact O-CA 3.15Å; V184-N337 PolarHBondContact N-OD1 3.44Å; V184-N337 PolarHBondContact O-N 3.48Å; V184-I346 HydrophobicContact CG1-CB 3.94Å; V184-I346 HydrophobicContact CG1-CG2 3.6Å; V184-K350 HydrophobicContact CG1-CD 4.45Å
185	V	93.6	Very high	93.2	Very high	16 Å²	16	36.5 Å²	36.5	10%	0.097	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	148.3	-170.2	-176.8	0	0	0	0	112	S183 W274 C334 L335 E336 F364 C366	S183-V185 VanDerWaalsContact OG-CG2 3.3Å; S183-V185 WeakPolarHBondContact OG-CG2 3.36Å; V185-W274 HydrophobicContact CG1-CH2 3.86Å; V185-W274 HydrophobicContact CG1-CZ2 4.21Å; V185-W274 HydrophobicContact CG2-CH2 4.22Å; V185-W274 HydrophobicContact CG2-CZ2 4.16Å; V185-C334 HydrophobicContact CG1-CB 4.14Å; V185-L335 CarbonylContact C-O 3.59Å; V185-L335 WeakPolarHBondContact CA-O 3.3Å; V185-E336 HydrophobicContact CG2-CB 4.15Å; V185-E336 HydrophobicContact CG2-CG 4.4Å; V185-F364 WeakPolarHBondContact O-CA 3.28Å; V185-C366 HydrophobicContact CG1-CB 3.97Å
186	I	94.7	Very high	92.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	139.8	165.1	-161.9	172.5	0	0	0	109.9	L194 C334 L335 I346 V349 A362 S363 F364	I186-L194 HydrophobicContact CD1-CD1 3.93Å; I186-L194 HydrophobicContact CD1-CD2 3.91Å; I186-L194 HydrophobicContact CD1-CG 4.42Å; I186-C334 CarbonylContact O-C 3.51Å; I186-C334 VanDerWaalsContact O-CA 3.28Å; I186-C334 WeakPolarHBondContact O-CA 3.35Å; I186-L335 HydrophobicContact CG2-CB 3.88Å; I186-L335 PolarHBondContact N-O 2.99Å; I186-L335 PolarHBondContact O-N 2.6Å; I186-I346 HydrophobicContact CB-CD1 4.33Å; I186-I346 HydrophobicContact CB-CG1 4.26Å; I186-I346 HydrophobicContact CB-CG2 4.09Å; I186-I346 HydrophobicContact CG2-CD1 3.78Å; I186-I346 HydrophobicContact CG2-CG1 3.82Å; I186-V349 HydrophobicContact CD1-CG1 4.26Å; I186-A362 HydrophobicContact CD1-CB 3.63Å; I186-A362 HydrophobicContact CG1-CB 3.83Å; I186-S363 CarbonylContact C-O 3.58Å; I186-S363 VanDerWaalsContact CA-O 3.28Å; I186-S363 WeakPolarHBondContact CA-O 3.33Å; I186-F364 HydrophobicContact CD1-CE1 4.38Å; I186-F364 HydrophobicContact CG1-CD1 4.42Å
187	D	93.8	Very high	92.5	Very high	19 Å²	19	41.9 Å²	41.9	10%	0.102	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	129.3	176.9	-166.3	-13.5	0	0	0	109.2	C334 S363 S365 S367	D187-C334 VanDerWaalsContact CG-SG 3.6Å; D187-S363 PolarHBondContact N-O 3.01Å; D187-S363 PolarHBondContact O-N 2.98Å; D187-S365 WeakPolarHBondContact CB-O 3.43Å; D187-S367 WeakPolarHBondContact OD2-CB 3.23Å; D187-S367 PolarHBondContact OD2-N 3.08Å; D187-S367 PolarHBondContact OD2-OG 2.84Å
188	L	93.5	Very high	91.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.8	-178.8	-58.9	-179.3	0	0	0	109.2	G190 S192 F331 H332 G333 L335 A362	L188-G190 VanDerWaalsContact C-N 3.29Å; L188-G190 PolarHBondContact O-N 2.81Å; L188-S192 VanDerWaalsContact CA-OG 3.29Å; L188-S192 WeakPolarHBondContact CA-OG 3.47Å; L188-S192 WeakPolarHBondContact CD2-OG 3.43Å; L188-F331 HydrophobicContact CB-CD1 4.48Å; L188-F331 HydrophobicContact CD1-CD1 4.29Å; L188-H332 CarbonylContact O-C 3.54Å; L188-H332 WeakPolarHBondContact O-CA 3.26Å; L188-H332 PolarHBondContact O-CD2 3.01Å; L188-G333 PolarHBondContact N-O 3.4Å; L188-G333 PolarHBondContact O-N 2.78Å; L188-L335 HydrophobicContact CD1-CD1 3.84Å; L188-L335 HydrophobicContact CD1-CG 4.36Å; L188-A362 HydrophobicContact CD2-CB 4.39Å
189	D	91.1	Very high	90.7	Very high	73 Å²	73	47.2 Å²	47.2	39%	0.39	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	13.4	-168.9	71.9	-11.9	0	0	0	114.6	K191 S192	D189-K191 PolarHBondContact O-N 3.15Å; D189-K191 WeakPolarHBondContact OD1-CA 3.34Å; D189-K191 WeakPolarHBondContact OD1-CB 3.3Å; D189-K191 PolarHBondContact OD1-N 3.28Å; D189-S192 PolarHBondContact N-OG 3.04Å; D189-S192 PolarHBondContact OD1-N 3.31Å; D189-S192 PolarHBondContact OD1-OG 2.83Å
190	G	90.1	Very high	89.1	Confident	22 Å²	22	51.9 Å²	51.9	23%	0.227	26%	0.257	C	S	.	.	S	Bend	trans	73.7	4.1	-172	0	0	0	0	0	114.3	L188 H330 F331	L188-G190 VanDerWaalsContact C-N 3.29Å; L188-G190 PolarHBondContact O-N 2.81Å; G190-H330 WeakPolarHBondContact O-CB 3.36Å; G190-F331 WeakPolarHBondContact CA-O 3.5Å; G190-F331 PolarHBondContact N-O 3.07Å
191	K	90.3	Very high	87.2	Confident	167 Å²	167	56.5 Å²	56.5	73%	0.726	27%	0.272	S	S	*	.	S	Bend	trans	-123.4	-23.6	172.3	-58.3	174.7	-174.6	170.7	0	111.5	D189	D189-K191 PolarHBondContact O-N 3.15Å; D189-K191 WeakPolarHBondContact OD1-CA 3.34Å; D189-K191 WeakPolarHBondContact OD1-CB 3.3Å; D189-K191 PolarHBondContact OD1-N 3.28Å
192	S	90.3	Very high	85.4	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.286	C	S	.	.			trans	-86.3	149	175.3	61.1	0	0	0	0	113.7	L188 D189 M359	L188-S192 VanDerWaalsContact CA-OG 3.29Å; L188-S192 WeakPolarHBondContact CA-OG 3.47Å; L188-S192 WeakPolarHBondContact CD2-OG 3.43Å; D189-S192 PolarHBondContact N-OG 3.04Å; D189-S192 PolarHBondContact OD1-N 3.31Å; D189-S192 PolarHBondContact OD1-OG 2.83Å; S192-M359 CarbonylContact C-O 3.55Å; S192-M359 WeakPolarHBondContact CA-O 3.4Å; S192-M359 VanDerWaalsContact CB-O 3.23Å; S192-M359 WeakPolarHBondContact CB-O 3.17Å
193	S	92.6	Very high	83.8	Confident	5 Å²	5	55.7 Å²	55.7	4%	0.035	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	160.7	172.2	64.1	0	0	0	0	111.4	F314 S318 M359	S193-F314 CarbonylContact C-O 3.59Å; S193-F314 WeakPolarHBondContact CA-O 3.37Å; S193-F314 WeakPolarHBondContact CB-O 3.41Å; S193-S318 PolarHBondContact OG-OG 2.91Å; S193-M359 PolarHBondContact N-O 3.02Å; S193-M359 PolarHBondContact O-N 3.38Å
194	L	94.1	Very high	82.4	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	137.1	175.6	-50.4	176.8	0	0	0	109.7	I186 S313 F314 L338 V349 I356 T358	I186-L194 HydrophobicContact CD1-CD1 3.93Å; I186-L194 HydrophobicContact CD1-CD2 3.91Å; I186-L194 HydrophobicContact CD1-CG 4.42Å; L194-S313 CarbonylContact O-C 3.53Å; L194-S313 VanDerWaalsContact O-CA 3.24Å; L194-S313 WeakPolarHBondContact O-CA 3.39Å; L194-F314 HydrophobicContact CB-CB 4.28Å; L194-F314 PolarHBondContact N-O 3.29Å; L194-F314 PolarHBondContact O-N 2.88Å; L194-L338 HydrophobicContact CD1-CD2 4.5Å; L194-V349 HydrophobicContact CD1-CG2 4.15Å; L194-V349 HydrophobicContact CD2-CG2 3.97Å; L194-I356 HydrophobicContact CB-CD1 4.26Å; L194-T358 HydrophobicContact CD2-CG2 4.01Å
195	L	93	Very high	80.9	Confident	10 Å²	10	55.3 Å²	55.3	5%	0.052	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	106.5	174.8	178.3	68.5	0	0	0	109.6	E311 I357	L195-E311 HydrophobicContact CD1-CB 4.01Å; L195-E311 HydrophobicContact CD1-CG 4.26Å; L195-I357 HydrophobicContact CB-CB 4.26Å; L195-I357 HydrophobicContact CD2-CD1 4.39Å; L195-I357 PolarHBondContact N-O 2.61Å; L195-I357 PolarHBondContact O-N 3.3Å
196	Y	92	Very high	79.5	Confident	13 Å²	13	60 Å²	60	5%	0.051	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	126.1	179.2	175.9	-125.3	0	0	0	110.4	F198 E311 I312 Y340 L348 Q355 I356	Y196-F198 AromaticContact CD1-CD1 3.83Å; Y196-F198 HydrophobicContact CD1-CD1 3.83Å; Y196-F198 HydrophobicContact CE1-CB 4.03Å; Y196-F198 AromaticContact CE1-CD1 3.63Å; Y196-F198 HydrophobicContact CE1-CD1 3.63Å; Y196-F198 HydrophobicContact CE1-CG 4.22Å; Y196-E311 VanDerWaalsContact O-CA 3.31Å; Y196-E311 WeakPolarHBondContact O-CA 3.32Å; Y196-I312 HydrophobicContact CD1-CG2 3.83Å; Y196-I312 HydrophobicContact CG-CG2 4.39Å; Y196-I312 PolarHBondContact N-O 3.07Å; Y196-I312 PolarHBondContact O-N 3.06Å; Y196-Y340 HydrophobicContact CD1-CD1 4.06Å; Y196-Y340 AromaticContact CE1-CD1 3.67Å; Y196-Y340 HydrophobicContact CE1-CD1 3.67Å; Y196-Y340 HydrophobicContact CE1-CE1 4.18Å; Y196-L348 HydrophobicContact CD2-CD1 3.9Å; Y196-L348 HydrophobicContact CE2-CD1 3.45Å; Y196-L348 VanDerWaalsContact CE2-CD1 3.45Å; Y196-Q355 HydrophobicContact CD2-CB 4.45Å; Y196-Q355 HydrophobicContact CE2-CB 4.13Å; Y196-I356 HydrophobicContact CD2-CD1 4.33Å; Y196-I356 HydrophobicContact CG-CD1 4.44Å
197	R	89.4	Confident	78.7	Confident	108 Å²	108	66 Å²	66	41%	0.408	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.2	176.9	-69.2	-176.9	169.5	161.4	0.9	110.4	E311 Q355	R197-E311 HydrophobicContact CG-CB 3.95Å; R197-E311 IonicContact CZ-OE2 2.71Å; R197-E311 IonicContact NE-OE2 3.68Å; R197-E311 PolarHBondContact NE-OE2 2.99Å; R197-E311 IonicContact NH2-OE2 3.66Å; R197-E311 PolarHBondContact NH2-OE2 2.88Å; R197-Q355 PolarHBondContact N-O 3.18Å; R197-Q355 WeakPolarHBondContact O-CB 3.35Å
198	F	83.2	Confident	78.3	Confident	28 Å²	28	65.2 Å²	65.2	12%	0.123	33%	0.329	C	S	.	.			trans	-126.5	168.8	178.8	50.7	-88.5	0	0	0	111.2	Y196 Q200 Y310 I312 Y340	Y196-F198 AromaticContact CD1-CD1 3.83Å; Y196-F198 HydrophobicContact CD1-CD1 3.83Å; Y196-F198 HydrophobicContact CE1-CB 4.03Å; Y196-F198 AromaticContact CE1-CD1 3.63Å; Y196-F198 HydrophobicContact CE1-CD1 3.63Å; Y196-F198 HydrophobicContact CE1-CG 4.22Å; F198-Q200 PolarHBondContact O-N 2.83Å; F198-Y310 WeakPolarHBondContact CD1-O 3.47Å; F198-Y310 WeakPolarHBondContact CE1-O 3.12Å; F198-Y310 PolarHBondContact N-O 2.91Å; F198-Y310 VanDerWaalsContact N-O 3.09Å; F198-I312 HydrophobicContact CE1-CG2 4.16Å; F198-Y340 AromaticContact CD1-CE1 3.96Å; F198-Y340 HydrophobicContact CD1-CE1 3.96Å; F198-Y340 AromaticContact CE1-CE1 3.77Å; F198-Y340 HydrophobicContact CE1-CE1 3.77Å; F198-Y340 AromaticContact CE1-CZ 3.95Å; F198-Y340 HydrophobicContact CG-CE1 4.49Å; F198-Y340 HydrophobicContact CZ-CE1 4.15Å; F198-Y340 WeakPolarHBondContact CZ-OH 3.48Å
199	D	73.2	Confident	78.3	Confident	122 Å²	122	66.8 Å²	66.8	65%	0.652	34%	0.338	S	S	*	.			trans	-66.5	131.4	-168.3	-75.9	-27.3	0	0	0	113.9	N201 S202	D199-N201 PolarHBondContact O-N 2.8Å; D199-S202 PolarHBondContact O-N 2.9Å
200	Q	61.2	Low	78.5	Confident	132 Å²	132	63.7 Å²	63.7	62%	0.617	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.8	177.6	-78	-179	-10	0	0	114.5	F198 S202 Y310	F198-Q200 PolarHBondContact O-N 2.83Å; Q200-S202 PolarHBondContact O-N 3.13Å; Q200-Y310 HydrophobicContact CG-CD1 3.57Å; Q200-Y310 HydrophobicContact CG-CD2 4.03Å; Q200-Y310 HydrophobicContact CG-CE1 3.75Å; Q200-Y310 HydrophobicContact CG-CE2 4.19Å; Q200-Y310 HydrophobicContact CG-CG 3.73Å; Q200-Y310 PolarHBondContact NE2-OH 3.26Å
201	N	54.7	Low	78.8	Confident	166 Å²	166	64.1 Å²	64.1	89%	0.888	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-6	-177.3	-74.2	-22.1	0	0	0	113.4	D199 L203	D199-N201 PolarHBondContact O-N 2.8Å; N201-L203 PolarHBondContact O-N 2.85Å
202	S	53.1	Low	79.2	Confident	66 Å²	66	56.3 Å²	56.3	46%	0.462	29%	0.287	S	S	.	.	S	Bend	trans	-73.7	110.4	164.9	174.9	0	0	0	0	108.2	D199 Q200 S204	D199-S202 PolarHBondContact O-N 2.9Å; Q200-S202 PolarHBondContact O-N 3.13Å; S202-S204 PolarHBondContact O-N 2.92Å
203	L	54.7	Low	79.5	Confident	161 Å²	161	58.1 Å²	58.1	84%	0.843	29%	0.294	S	S	*	.			trans	-42	142.2	157.1	-77.5	159.1	0	0	0	109	N201	N201-L203 PolarHBondContact O-N 2.85Å
204	S	58.1	Low	79.7	Confident	34 Å²	34	57.9 Å²	57.9	24%	0.238	29%	0.293	C	S	.	.	S	Bend	trans	-45.7	117.3	177.3	-46.3	0	0	0	0	108.5	S202 I206 L306	S202-S204 PolarHBondContact O-N 2.92Å; S204-I206 PolarHBondContact O-N 3.16Å; S204-L306 VanDerWaalsContact CB-O 3.29Å; S204-L306 WeakPolarHBondContact CB-O 3.05Å
205	P	61.5	Low	79.7	Confident	20 Å²	20	58.9 Å²	58.9	13%	0.13	30%	0.297	C	S	.	.			trans	-61.9	132	-163.1	22.5	-34	0	0	0	109.4	R207 D208 R281	P205-R207 WeakPolarHBondContact CB-O 3.42Å; P205-R207 PolarHBondContact O-N 3.24Å; P205-D208 WeakPolarHBondContact CG-OD1 3.29Å; P205-R281 PolarHBondContact O-NH2 2.99Å
206	I	64.8	Low	79.8	Confident	114 Å²	114	58.5 Å²	58.5	59%	0.585	30%	0.295	S	S	*	.	S	Bend	trans	-63.9	-20.3	169.3	-58.8	170.3	0	0	0	109.3	S204 G283	S204-I206 PolarHBondContact O-N 3.16Å; I206-G283 PolarHBondContact O-N 3.04Å
207	R	78.8	Confident	79.7	Confident	125 Å²	125	59.9 Å²	59.9	47%	0.472	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	120.6	-177	-177.1	-174.9	-179.8	-172.5	1.7	112	P205 I209 R281 L282	P205-R207 WeakPolarHBondContact CB-O 3.42Å; P205-R207 PolarHBondContact O-N 3.24Å; R207-I209 HydrophobicContact CG-CG1 4.3Å; R207-I209 VanDerWaalsContact CZ-CD1 3.47Å; R207-R281 CarbonylContact C-O 3.55Å; R207-R281 WeakPolarHBondContact CA-O 3.42Å; R207-L282 HydrophobicContact CB-CD1 4.04Å; R207-L282 HydrophobicContact CG-CD1 4.23Å
208	D	85.5	Confident	79.9	Confident	3 Å²	3	58.6 Å²	58.6	2%	0.016	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	127	168	-65.6	-63.9	0	0	0	109.2	P205 R226 Q280 R281 N341	P205-D208 WeakPolarHBondContact CG-OD1 3.29Å; D208-R226 IonicContact OD1-NH1 3.13Å; D208-R226 PolarHBondContact OD1-NH1 3.23Å; D208-Q280 CarbonylContact O-C 3.58Å; D208-Q280 WeakPolarHBondContact O-CA 3.44Å; D208-R281 HydrophobicContact CB-CB 4.22Å; D208-R281 PolarHBondContact N-O 2.95Å; D208-R281 PolarHBondContact O-N 2.78Å; D208-R281 IonicContact OD2-CZ 2.87Å; D208-R281 VanDerWaalsContact OD2-CZ 3.31Å; D208-R281 IonicContact OD2-NE 2.8Å; D208-R281 PolarHBondContact OD2-NE 2.79Å; D208-R281 IonicContact OD2-NH2 3.32Å; D208-R281 PolarHBondContact OD2-NH2 2.87Å; D208-N341 WeakPolarHBondContact CA-OD1 3.32Å
209	I	92.9	Very high	80.4	Confident	34 Å²	34	58.7 Å²	58.7	17%	0.174	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	115.8	169.2	-64.6	-175.1	0	0	0	108.2	R207 L278 I279 Q280 N341	R207-I209 HydrophobicContact CG-CG1 4.3Å; R207-I209 VanDerWaalsContact CZ-CD1 3.47Å; I209-L278 HydrophobicContact CG2-CD1 4.11Å; I209-I279 WeakPolarHBondContact CA-O 3.31Å; I209-Q280 HydrophobicContact CG1-CB 4.46Å; I209-Q280 HydrophobicContact CG1-CG 4.5Å; I209-N341 PolarHBondContact N-OD1 3.21Å; I209-N341 PolarHBondContact O-N 2.93Å
210	I	95.2	Very high	81.4	Confident	7 Å²	7	54.9 Å²	54.9	4%	0.036	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	120	176.8	-44.1	-177.3	0	0	0	107.2	L224 L278 I279 I312 F314 F339 Y340	I210-L224 HydrophobicContact CD1-CD1 4.35Å; I210-L224 HydrophobicContact CD1-CD2 4.21Å; I210-L224 HydrophobicContact CG2-CD2 3.97Å; I210-L278 WeakPolarHBondContact O-CA 3.32Å; I210-I279 HydrophobicContact CB-CB 4.31Å; I210-I279 PolarHBondContact N-O 3.45Å; I210-I279 PolarHBondContact O-N 3.03Å; I210-I312 HydrophobicContact CD1-CD1 4.1Å; I210-F314 HydrophobicContact CG2-CE1 4.43Å; I210-F339 WeakPolarHBondContact CA-O 3.16Å; I210-Y340 HydrophobicContact CD1-CD2 4.24Å; I210-Y340 HydrophobicContact CD1-CE2 4.41Å; I210-Y340 HydrophobicContact CG1-CD2 3.95Å; I210-Y340 HydrophobicContact CG1-CE2 4.37Å
211	S	97	Very high	83	Confident	31 Å²	31	48.9 Å²	48.9	22%	0.217	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	137.8	173.1	63.8	0	0	0	0	109.8	V277 L338 F339	S211-V277 WeakPolarHBondContact CA-O 3.22Å; S211-L338 CarbonylContact O-C 3.5Å; S211-L338 WeakPolarHBondContact O-CA 3.19Å; S211-F339 PolarHBondContact N-O 2.8Å; S211-F339 PolarHBondContact O-N 2.5Å
212	L	97.6	Very high	84.8	Confident	4 Å²	4	41 Å²	41	2%	0.021	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	162.3	174.9	62.7	87.2	0	0	0	109.4	F214 L223 L224 V277 L338	L212-F214 HydrophobicContact CD1-CB 4.16Å; L212-F214 HydrophobicContact CD1-CD1 4.22Å; L212-L223 HydrophobicContact CD1-CD2 3.87Å; L212-L224 HydrophobicContact CD2-CD2 4.4Å; L212-V277 HydrophobicContact CD1-CB 4.08Å; L212-V277 HydrophobicContact CD1-CG2 4.13Å; L212-V277 HydrophobicContact CG-CB 4.23Å; L212-V277 PolarHBondContact N-O 2.71Å; L212-V277 PolarHBondContact O-N 2.8Å; L212-V277 VanDerWaalsContact O-O 3.12Å; L212-L338 HydrophobicContact CB-CB 4.4Å; L212-L338 HydrophobicContact CB-CD1 3.64Å; L212-L338 HydrophobicContact CD2-CD1 3.71Å; L212-L338 HydrophobicContact CG-CD1 4.32Å
213	K	97	Very high	86.8	Confident	37 Å²	37	37.9 Å²	37.9	16%	0.161	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	148.9	160	-56.9	-175.4	173.6	178.7	0	109.2	Y181 W274 H275 L335 E336	Y181-K213 PolarHBondContact OH-NZ 3.14Å; K213-W274 HydrophobicContact CB-CE3 3.94Å; K213-W274 HydrophobicContact CB-CZ3 4.5Å; K213-H275 CarbonylContact C-O 3.59Å; K213-H275 WeakPolarHBondContact CA-O 3.34Å; K213-H275 WeakPolarHBondContact CB-O 3.26Å; K213-L335 CarbonylContact O-C 3.52Å; K213-L335 VanDerWaalsContact O-CA 3.32Å; K213-L335 WeakPolarHBondContact O-CA 3.19Å; K213-E336 HydrophobicContact CB-CB 4.06Å; K213-E336 HydrophobicContact CB-CG 4.39Å; K213-E336 HydrophobicContact CD-CG 4.49Å; K213-E336 VanDerWaalsContact CD-OE2 3.32Å; K213-E336 WeakPolarHBondContact CD-OE2 3.37Å; K213-E336 PolarHBondContact N-O 3.37Å; K213-E336 PolarHBondContact O-N 3.23Å
214	F	97.1	Very high	88.7	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	158.3	175.7	78	-80	0	0	0	111.5	L212 T216 L223 L238 L243 L269 W274 H275 V277 F331 C334 L335	L212-F214 HydrophobicContact CD1-CB 4.16Å; L212-F214 HydrophobicContact CD1-CD1 4.22Å; F214-T216 HydrophobicContact CD2-CG2 4.14Å; F214-T216 HydrophobicContact CE2-CG2 4.05Å; F214-L223 HydrophobicContact CB-CD2 3.66Å; F214-L223 HydrophobicContact CD1-CD2 3.66Å; F214-L223 HydrophobicContact CD2-CD2 4.06Å; F214-L223 HydrophobicContact CE1-CD2 4.31Å; F214-L223 HydrophobicContact CG-CD2 3.51Å; F214-L238 HydrophobicContact CE2-CD1 4.36Å; F214-L238 HydrophobicContact CE2-CD2 4.32Å; F214-L238 HydrophobicContact CZ-CD1 4.35Å; F214-L243 HydrophobicContact CE1-CD1 3.72Å; F214-L243 HydrophobicContact CE1-CD2 4.38Å; F214-L243 HydrophobicContact CE1-CG 4.33Å; F214-L243 HydrophobicContact CZ-CD1 4.11Å; F214-L243 HydrophobicContact CZ-CD2 4.25Å; F214-L243 HydrophobicContact CZ-CG 4.25Å; F214-L269 HydrophobicContact CE2-CB 4.28Å; F214-L269 HydrophobicContact CZ-CB 3.9Å; F214-L269 HydrophobicContact CZ-CD1 4.01Å; F214-L269 HydrophobicContact CZ-CG 4.45Å; F214-W274 WeakPolarHBondContact O-CA 3.09Å; F214-H275 HydrophobicContact CD1-CB 4.07Å; F214-H275 HydrophobicContact CE1-CB 3.58Å; F214-H275 HydrophobicContact CZ-CB 3.98Å; F214-H275 PolarHBondContact N-O 3.4Å; F214-H275 PolarHBondContact O-N 3Å; F214-V277 HydrophobicContact CD1-CG2 3.96Å; F214-V277 HydrophobicContact CE1-CG2 3.87Å; F214-F331 HydrophobicContact CB-CE2 4.37Å; F214-F331 HydrophobicContact CB-CZ 3.93Å; F214-F331 AromaticContact CD2-CE2 3.79Å; F214-F331 HydrophobicContact CD2-CE2 3.79Å; F214-F331 HydrophobicContact CD2-CZ 4.05Å; F214-F331 HydrophobicContact CG-CE2 4.46Å; F214-F331 HydrophobicContact CG-CZ 4.46Å; F214-C334 CarbonylContact C-O 3.6Å; F214-C334 WeakPolarHBondContact CA-O 3.26Å; F214-L335 HydrophobicContact CB-CD2 3.71Å
215	K	94.5	Very high	90.3	Very high	22 Å²	22	30.1 Å²	30.1	10%	0.096	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	126.4	177.3	176.2	172.8	65.3	167.1	0	109.6	Q272 H273 W274 G333 C334 C366	K215-Q272 HydrophobicContact CD-CG 4.4Å; K215-Q272 VanDerWaalsContact CD-O 3.22Å; K215-Q272 WeakPolarHBondContact CD-O 3.28Å; K215-Q272 HydrophobicContact CG-CG 4.29Å; K215-H273 WeakPolarHBondContact CA-O 3.41Å; K215-H273 WeakPolarHBondContact CB-O 3.44Å; K215-H273 WeakPolarHBondContact CG-O 3.23Å; K215-W274 HydrophobicContact CB-CD2 3.88Å; K215-W274 HydrophobicContact CB-CE3 3.73Å; K215-W274 HydrophobicContact CB-CG 4.44Å; K215-W274 HydrophobicContact CB-CH2 4.35Å; K215-W274 HydrophobicContact CB-CZ2 4.49Å; K215-W274 HydrophobicContact CB-CZ3 3.96Å; K215-W274 HydrophobicContact CD-CD2 4.38Å; K215-G333 WeakPolarHBondContact O-CA 3.44Å; K215-C334 PolarHBondContact N-O 2.81Å; K215-C334 PolarHBondContact O-N 3.15Å; K215-C366 WeakPolarHBondContact CE-SG 3.39Å; K215-C366 PolarHBondContact NZ-SG 3.44Å
216	T	94.4	Very high	91.6	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	15%	0.145	C	C	.	.			trans	-151.9	162.8	-178.6	-175	0	0	0	0	112.5	F214 E218 L238 D270 Q272 F331 H332	F214-T216 HydrophobicContact CD2-CG2 4.14Å; F214-T216 HydrophobicContact CE2-CG2 4.05Å; T216-E218 WeakPolarHBondContact CG2-O 3.29Å; T216-E218 PolarHBondContact OG1-N 3.27Å; T216-L238 HydrophobicContact CG2-CD2 3.57Å; T216-D270 CarbonylContact O-C 3.59Å; T216-Q272 VanDerWaalsContact CA-NE2 3.32Å; T216-Q272 VanDerWaalsContact O-CA 3.32Å; T216-Q272 WeakPolarHBondContact O-CA 3.32Å; T216-Q272 PolarHBondContact O-N 2.89Å; T216-F331 HydrophobicContact CG2-CE2 3.94Å; T216-H332 WeakPolarHBondContact CB-O 3.49Å; T216-H332 PolarHBondContact OG1-O 2.89Å
217	M	90.5	Very high	92.5	Very high	42 Å²	42	25.7 Å²	25.7	21%	0.207	13%	0.13	C	C	.	.	S	Bend	trans	-107.8	-8.4	167.5	-77.8	-81.7	-95.5	0	0	112.4	Q272 S371 R519	M217-Q272 HydrophobicContact CG-CB 3.73Å; M217-Q272 HydrophobicContact CG-CG 3.92Å; M217-Q272 HydrophobicContact SD-CB 3.68Å; M217-Q272 HydrophobicContact SD-CG 4.39Å; M217-S371 WeakPolarHBondContact CE-OG 3.44Å; M217-R519 PolarHBondContact SD-NH1 3.12Å
218	E	92.6	Very high	92.4	Very high	82 Å²	82	20.2 Å²	20.2	38%	0.383	11%	0.112	S	C	.	.			trans	-84.4	137.5	177.6	-62.1	-58.9	153	0	0	109.2	T216 D220 L238 H332	T216-E218 WeakPolarHBondContact CG2-O 3.29Å; T216-E218 PolarHBondContact OG1-N 3.27Å; E218-D220 PolarHBondContact O-N 2.9Å; E218-L238 WeakPolarHBondContact O-CD2 3.24Å; E218-H332 HydrophobicContact CG-CB 3.95Å; E218-H332 IonicContact OE1-ND1 3.97Å
219	S	93	Very high	91.7	Very high	30 Å²	30	24.7 Å²	24.7	21%	0.21	14%	0.142	C	C	.	.	S	Bend	trans	-76.4	-13.4	177.4	54.7	0	0	0	0	113.2	R239 R240 G241	S219-R239 CarbonylContact O-C 3.16Å; S219-R240 PolarHBondContact O-N 3.11Å; S219-G241 PolarHBondContact O-N 2.94Å
220	D	94.5	Very high	90.6	Very high	42 Å²	42	25.6 Å²	25.6	23%	0.225	15%	0.154	C	C	.	.			trans	-139.8	138.7	-171.8	-53.4	-77.3	0	0	0	111.5	E218 L238 R239 R240 K329	E218-D220 PolarHBondContact O-N 2.9Å; D220-L238 CarbonylContact C-O 2.97Å; D220-L238 VanDerWaalsContact CA-O 3.24Å; D220-L238 WeakPolarHBondContact CA-O 3.31Å; D220-R239 WeakPolarHBondContact OD1-CA 3.43Å; D220-R240 PolarHBondContact OD1-N 3.24Å; D220-K329 HydrophobicContact CB-CD 4.12Å
221	G	94.7	Very high	89.4	Confident	5 Å²	5	27.1 Å²	27.1	5%	0.052	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.2	145.4	175.7	0	0	0	0	0	113.9	L238 K329	G221-L238 PolarHBondContact N-O 2.98Å; G221-L238 WeakPolarHBondContact O-CB 3.34Å; G221-L238 PolarHBondContact O-N 3.33Å; G221-K329 WeakPolarHBondContact CA-O 3.31Å
222	I	94.1	Very high	88.4	Confident	2 Å²	2	26.1 Å²	26.1	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	119.8	176.4	-65.7	-175.8	0	0	0	111	H225 E237 G315 I317 Y328 K329 F331	I222-H225 HydrophobicContact CG2-CB 4.19Å; I222-E237 HydrophobicContact CG1-CB 4.38Å; I222-G315 CarbonylContact O-C 3.47Å; I222-G315 VanDerWaalsContact O-CA 3.23Å; I222-G315 WeakPolarHBondContact O-CA 3.17Å; I222-I317 HydrophobicContact CD1-CD1 3.4Å; I222-I317 VanDerWaalsContact CD1-CD1 3.4Å; I222-I317 HydrophobicContact CD1-CG1 3.58Å; I222-Y328 VanDerWaalsContact CD1-CB 3.45Å; I222-Y328 HydrophobicContact CD1-CD1 3.64Å; I222-Y328 HydrophobicContact CD1-CD2 4.27Å; I222-Y328 HydrophobicContact CD1-CE1 4.4Å; I222-Y328 HydrophobicContact CD1-CG 3.54Å; I222-Y328 HydrophobicContact CG1-CD1 4.26Å; I222-Y328 HydrophobicContact CG1-CG 4.49Å; I222-K329 PolarHBondContact N-O 3.46Å; I222-F331 WeakPolarHBondContact O-CB 3.2Å
223	L	95.3	Very high	87.7	Confident	0 Å²	0	28 Å²	28	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-44.3	174.3	-73.7	99.1	0	0	0	112.4	L212 F214 L236 L238 L243 F314 G315 F331 L335	L212-L223 HydrophobicContact CD1-CD2 3.87Å; F214-L223 HydrophobicContact CB-CD2 3.66Å; F214-L223 HydrophobicContact CD1-CD2 3.66Å; F214-L223 HydrophobicContact CD2-CD2 4.06Å; F214-L223 HydrophobicContact CE1-CD2 4.31Å; F214-L223 HydrophobicContact CG-CD2 3.51Å; L223-L236 HydrophobicContact CB-CB 4.48Å; L223-L236 HydrophobicContact CB-CD2 4.03Å; L223-L236 HydrophobicContact CB-CG 4.32Å; L223-L236 HydrophobicContact CD2-CD2 4.45Å; L223-L236 PolarHBondContact N-O 2.94Å; L223-L238 HydrophobicContact CD1-CB 3.95Å; L223-L243 HydrophobicContact CD1-CD2 3.48Å; L223-L243 VanDerWaalsContact CD1-CD2 3.48Å; L223-F314 CarbonylContact O-C 3.52Å; L223-F314 VanDerWaalsContact O-CA 3.24Å; L223-F314 WeakPolarHBondContact O-CA 3.32Å; L223-G315 PolarHBondContact O-N 3.11Å; L223-F331 HydrophobicContact CG-CD2 4.14Å; L223-F331 HydrophobicContact CG-CE2 4.38Å; L223-L335 HydrophobicContact CD2-CD2 4.3Å
224	L	94.8	Very high	87.3	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	150.6	174.1	73.4	93.3	0	0	0	111.9	I210 L212 I234 T235 L236 I279 I312 S313 F314	I210-L224 HydrophobicContact CD1-CD1 4.35Å; I210-L224 HydrophobicContact CD1-CD2 4.21Å; I210-L224 HydrophobicContact CG2-CD2 3.97Å; L212-L224 HydrophobicContact CD2-CD2 4.4Å; L224-I234 HydrophobicContact CD1-CG2 4.28Å; L224-T235 WeakPolarHBondContact O-CA 3.31Å; L224-L236 HydrophobicContact CD1-CB 4.33Å; L224-L236 HydrophobicContact CD2-CB 3.85Å; L224-L236 HydrophobicContact CD2-CD2 4.09Å; L224-L236 HydrophobicContact CG-CB 3.63Å; L224-L236 PolarHBondContact N-O 2.97Å; L224-L236 PolarHBondContact O-N 2.83Å; L224-I279 HydrophobicContact CD2-CD1 4.25Å; L224-I312 HydrophobicContact CD1-CD1 4.25Å; L224-S313 CarbonylContact C-O 3.47Å; L224-S313 WeakPolarHBondContact CA-O 3.43Å; L224-F314 HydrophobicContact CB-CD1 3.58Å; L224-F314 HydrophobicContact CB-CE1 3.76Å; L224-F314 HydrophobicContact CD2-CE1 4.29Å
225	H	91.5	Very high	87	Confident	31 Å²	31	26.8 Å²	26.8	14%	0.144	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	132	174.2	-179.7	74.4	0	0	0	110.4	I222 T235 S313 I317	I222-H225 HydrophobicContact CG2-CB 4.19Å; H225-T235 PolarHBondContact ND1-OG1 2.8Å; H225-S313 PolarHBondContact N-O 3.21Å; H225-S313 PolarHBondContact O-N 3.19Å; H225-S313 PolarHBondContact O-OG 2.93Å; H225-I317 HydrophobicContact CB-CG1 3.93Å
226	R	87.9	Confident	87	Confident	9 Å²	9	25.8 Å²	25.8	3%	0.034	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	124.6	173.1	-178.8	171.2	-176.1	-153.1	-5.8	108	D208 H233 I234 L308 D309 E311 I312 Y340	D208-R226 IonicContact OD1-NH1 3.13Å; D208-R226 PolarHBondContact OD1-NH1 3.23Å; R226-H233 CarbonylContact O-C 3.47Å; R226-H233 WeakPolarHBondContact O-CA 3.18Å; R226-H233 WeakPolarHBondContact O-CB 3.48Å; R226-I234 PolarHBondContact N-O 2.03Å; R226-I234 PolarHBondContact O-N 2.71Å; R226-L308 HydrophobicContact CG-CB 4.09Å; R226-L308 HydrophobicContact CG-CD1 4.26Å; R226-L308 HydrophobicContact CG-CD2 4.49Å; R226-D309 VanDerWaalsContact CZ-O 3.27Å; R226-D309 PolarHBondContact NE-O 3.16Å; R226-D309 PolarHBondContact NH2-O 2.62Å; R226-E311 WeakPolarHBondContact CG-O 3.35Å; R226-I312 HydrophobicContact CB-CB 4.33Å; R226-I312 HydrophobicContact CB-CD1 4.37Å; R226-I312 HydrophobicContact CB-CG1 4.11Å; R226-Y340 PolarHBondContact NH1-OH 3.46Å
227	A	83.7	Confident	87	Confident	33 Å²	33	26.3 Å²	26.3	27%	0.273	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	162.9	176	0	0	0	0	0	109.5	D232 H233 D309	A227-D232 CarbonylContact C-O 3.6Å; A227-D232 WeakPolarHBondContact CA-O 3.2Å; A227-H233 HydrophobicContact CB-CB 4.28Å; A227-D309 WeakPolarHBondContact O-CB 3.5Å; A227-D309 PolarHBondContact O-N 3.17Å
228	G	77.7	Confident	87.3	Confident	9 Å²	9	24.5 Å²	24.5	9%	0.093	16%	0.157	C	C	.	.			trans	-128.7	173.6	170.7	0	0	0	0	0	112.7	A230 G231 D232 D307	G228-A230 VanDerWaalsContact C-N 3.27Å; G228-A230 PolarHBondContact O-N 3.48Å; G228-G231 PolarHBondContact O-N 3.35Å; G228-G231 VanDerWaalsContact O-N 3.09Å; G228-D232 PolarHBondContact N-O 3.37Å; G228-D307 WeakPolarHBondContact CA-O 3.35Å
229	P	70.7	Confident	87.3	Confident	98 Å²	98	26.1 Å²	26.1	64%	0.636	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-27.2	-170.6	26.7	-33.4	0	0	0	112.9	G231 D309	P229-G231 VanDerWaalsContact C-N 3.27Å; P229-G231 PolarHBondContact O-N 3.09Å; P229-D309 WeakPolarHBondContact CD-OD1 3.47Å
230	A	68.5	Low	87.3	Confident	52 Å²	52	31.1 Å²	31.1	43%	0.43	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-4.8	177.2	0	0	0	0	0	113.8	G228	G228-A230 VanDerWaalsContact C-N 3.27Å; G228-A230 PolarHBondContact O-N 3.48Å
231	G	70.4	Confident	87.2	Confident	40 Å²	40	29.1 Å²	29.1	41%	0.412	16%	0.163	S	C	.	.	S	Bend	trans	92	-2.4	-173.4	0	0	0	0	0	114.3	G228 P229 H233	G228-G231 PolarHBondContact O-N 3.35Å; G228-G231 VanDerWaalsContact O-N 3.09Å; P229-G231 VanDerWaalsContact C-N 3.27Å; P229-G231 PolarHBondContact O-N 3.09Å; G231-H233 PolarHBondContact O-N 2.74Å
232	D	75.8	Confident	87.2	Confident	9 Å²	9	31.8 Å²	31.8	5%	0.048	17%	0.174	C	C	.	.			trans	-55.7	134.8	168.1	-68.9	10.7	0	0	0	109.2	A227 G228 N248 G250 D307 L308	A227-D232 CarbonylContact C-O 3.6Å; A227-D232 WeakPolarHBondContact CA-O 3.2Å; G228-D232 PolarHBondContact N-O 3.37Å; D232-N248 WeakPolarHBondContact CA-O 3.16Å; D232-G250 VanDerWaalsContact OD1-CA 3.28Å; D232-G250 WeakPolarHBondContact OD1-CA 3.47Å; D232-G250 PolarHBondContact OD1-N 3.43Å; D232-D307 PolarHBondContact OD2-N 3.39Å; D232-L308 HydrophobicContact CB-CD2 3.85Å; D232-L308 VanDerWaalsContact O-CD2 3.31Å; D232-L308 WeakPolarHBondContact O-CD2 3.3Å
233	H	83.4	Confident	87.3	Confident	44 Å²	44	31.7 Å²	31.7	20%	0.204	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	152.1	176.8	68.4	70.5	0	0	0	112.6	R226 A227 G231 I247 N248	R226-H233 CarbonylContact O-C 3.47Å; R226-H233 WeakPolarHBondContact O-CA 3.18Å; R226-H233 WeakPolarHBondContact O-CB 3.48Å; A227-H233 HydrophobicContact CB-CB 4.28Å; G231-H233 PolarHBondContact O-N 2.74Å; H233-I247 WeakPolarHBondContact O-CA 3.13Å; H233-N248 PolarHBondContact N-O 2.75Å; H233-N248 PolarHBondContact O-N 3.38Å
234	I	88.4	Confident	87.2	Confident	6 Å²	6	33.2 Å²	33.2	3%	0.031	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	119.5	166.7	-58.3	178.4	0	0	0	106.9	L224 R226 L245 L246 I247 L306 L308	L224-I234 HydrophobicContact CD1-CG2 4.28Å; R226-I234 PolarHBondContact N-O 2.03Å; R226-I234 PolarHBondContact O-N 2.71Å; I234-L245 HydrophobicContact CG2-CD1 4.04Å; I234-L246 WeakPolarHBondContact CA-O 3.11Å; I234-I247 HydrophobicContact CG1-CG1 4.27Å; I234-I247 HydrophobicContact CG1-CG2 4.29Å; I234-I247 HydrophobicContact CG2-CG1 4.3Å; I234-L306 HydrophobicContact CD1-CD1 3.83Å; I234-L306 HydrophobicContact CG1-CD1 4Å; I234-L308 HydrophobicContact CD1-CD1 3.46Å; I234-L308 VanDerWaalsContact CD1-CD1 3.46Å; I234-L308 HydrophobicContact CG1-CD1 3.75Å
235	T	90.9	Very high	87.1	Confident	6 Å²	6	33.2 Å²	33.2	4%	0.037	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	130.9	177.6	-54.3	0	0	0	0	109.8	L224 H225 E237 L245 L246	L224-T235 WeakPolarHBondContact O-CA 3.31Å; H225-T235 PolarHBondContact ND1-OG1 2.8Å; T235-E237 HydrophobicContact CG2-CB 4.5Å; T235-L245 WeakPolarHBondContact O-CA 3.39Å; T235-L246 PolarHBondContact N-O 2.85Å; T235-L246 PolarHBondContact O-N 3.1Å
236	L	95.2	Very high	87	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	116.2	165.5	-173.4	70	0	0	0	108.1	L223 L224 L243 F244 L245 V277 I279 F288	L223-L236 HydrophobicContact CB-CB 4.48Å; L223-L236 HydrophobicContact CB-CD2 4.03Å; L223-L236 HydrophobicContact CB-CG 4.32Å; L223-L236 HydrophobicContact CD2-CD2 4.45Å; L223-L236 PolarHBondContact N-O 2.94Å; L224-L236 HydrophobicContact CD1-CB 4.33Å; L224-L236 HydrophobicContact CD2-CB 3.85Å; L224-L236 HydrophobicContact CD2-CD2 4.09Å; L224-L236 HydrophobicContact CG-CB 3.63Å; L224-L236 PolarHBondContact N-O 2.97Å; L224-L236 PolarHBondContact O-N 2.83Å; L236-L243 HydrophobicContact CD1-CB 4.31Å; L236-L243 HydrophobicContact CD1-CD2 4.2Å; L236-L243 HydrophobicContact CD2-CD2 4.47Å; L236-L243 HydrophobicContact CG-CD2 4.13Å; L236-F244 WeakPolarHBondContact CA-O 3.37Å; L236-L245 HydrophobicContact CD1-CB 4.28Å; L236-V277 HydrophobicContact CD2-CG1 3.86Å; L236-I279 HydrophobicContact CD1-CD1 4.44Å; L236-I279 HydrophobicContact CD2-CD1 4.3Å; L236-F288 HydrophobicContact CD1-CE2 3.86Å; L236-F288 HydrophobicContact CD1-CZ 3.81Å
237	E	94.5	Very high	86.8	Confident	13 Å²	13	32.9 Å²	32.9	6%	0.061	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	143.3	177.9	64.7	176.2	-167.5	0	0	111.2	I222 T235 R239 L243 F244 L246	I222-E237 HydrophobicContact CG1-CB 4.38Å; T235-E237 HydrophobicContact CG2-CB 4.5Å; E237-R239 IonicContact OE1-CZ 3.69Å; E237-R239 IonicContact OE1-NE 3.77Å; E237-R239 PolarHBondContact OE1-NE 3.49Å; E237-R239 IonicContact OE1-NH2 2.74Å; E237-R239 PolarHBondContact OE1-NH2 3.2Å; E237-R239 IonicContact OE2-NH2 3.7Å; E237-L243 WeakPolarHBondContact O-CA 3.48Å; E237-F244 HydrophobicContact CG-CB 3.86Å; E237-F244 PolarHBondContact N-O 2.85Å; E237-F244 PolarHBondContact O-N 2.96Å; E237-L246 HydrophobicContact CG-CD1 3.86Å
238	L	95.6	Very high	86.4	Confident	4 Å²	4	32.6 Å²	32.6	2%	0.021	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	130.1	164.4	-172.4	70.1	0	0	0	107.8	F214 T216 E218 D220 G221 L223 K242 L243 L269	F214-L238 HydrophobicContact CE2-CD1 4.36Å; F214-L238 HydrophobicContact CE2-CD2 4.32Å; F214-L238 HydrophobicContact CZ-CD1 4.35Å; T216-L238 HydrophobicContact CG2-CD2 3.57Å; E218-L238 WeakPolarHBondContact O-CD2 3.24Å; D220-L238 CarbonylContact C-O 2.97Å; D220-L238 VanDerWaalsContact CA-O 3.24Å; D220-L238 WeakPolarHBondContact CA-O 3.31Å; G221-L238 PolarHBondContact N-O 2.98Å; G221-L238 WeakPolarHBondContact O-CB 3.34Å; G221-L238 PolarHBondContact O-N 3.33Å; L223-L238 HydrophobicContact CD1-CB 3.95Å; L238-K242 CarbonylContact C-O 3.6Å; L238-K242 WeakPolarHBondContact CA-O 2.88Å; L238-L243 HydrophobicContact CB-CD2 4.27Å; L238-L243 HydrophobicContact CD1-CD2 4.14Å; L238-L243 HydrophobicContact CD1-CG 4.37Å; L238-L269 HydrophobicContact CD1-CB 3.97Å; L238-L269 HydrophobicContact CD1-CD1 4Å
239	R	93.6	Very high	85.7	Confident	116 Å²	116	33.8 Å²	33.8	44%	0.438	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	121.9	177.7	-175.4	-170.1	-65.4	-159.6	-3.7	109.3	S219 D220 E237 G241 K242 F244	S219-R239 CarbonylContact O-C 3.16Å; D220-R239 WeakPolarHBondContact OD1-CA 3.43Å; E237-R239 IonicContact OE1-CZ 3.69Å; E237-R239 IonicContact OE1-NE 3.77Å; E237-R239 PolarHBondContact OE1-NE 3.49Å; E237-R239 IonicContact OE1-NH2 2.74Å; E237-R239 PolarHBondContact OE1-NH2 3.2Å; E237-R239 IonicContact OE2-NH2 3.7Å; R239-G241 PolarHBondContact O-N 3.34Å; R239-K242 PolarHBondContact N-O 2.98Å; R239-K242 PolarHBondContact O-N 2.73Å; R239-F244 HydrophobicContact CB-CD2 3.72Å; R239-F244 HydrophobicContact CB-CE2 3.74Å; R239-F244 HydrophobicContact CG-CE2 4.33Å
240	R	91.9	Very high	84.7	Confident	134 Å²	134	30.4 Å²	30.4	51%	0.506	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	39.3	-176.1	-60.5	-178.7	72.5	179.4	3.6	113.6	S219 D220 K242 D452 Q454	S219-R240 PolarHBondContact O-N 3.11Å; D220-R240 PolarHBondContact OD1-N 3.24Å; R240-K242 VanDerWaalsContact C-N 3.31Å; R240-K242 PolarHBondContact O-N 3.01Å; R240-D452 IonicContact CZ-OD2 2.95Å; R240-D452 IonicContact NH2-OD2 3.14Å; R240-D452 PolarHBondContact NH2-OD2 3.22Å; R240-Q454 VanDerWaalsContact C-OE1 3.26Å; R240-Q454 VanDerWaalsContact CA-OE1 3.26Å; R240-Q454 PolarHBondContact O-NE2 3.03Å; R240-Q454 PolarHBondContact O-OE1 2.81Å
241	G	93.4	Very high	83.7	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	73	15.7	-179.4	0	0	0	0	0	115.1	S219 R239 S267 L268 L269	S219-G241 PolarHBondContact O-N 2.94Å; R239-G241 PolarHBondContact O-N 3.34Å; G241-S267 CarbonylContact O-C 3.6Å; G241-L268 PolarHBondContact O-N 3.14Å; G241-L268 VanDerWaalsContact O-N 3.14Å; G241-L269 WeakPolarHBondContact O-CB 3.39Å; G241-L269 VanDerWaalsContact O-CG 3.27Å; G241-L269 WeakPolarHBondContact O-CG 3.43Å; G241-L269 PolarHBondContact O-N 3.28Å
242	K	94.6	Very high	82.2	Confident	62 Å²	62	34.7 Å²	34.7	27%	0.27	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	147.5	174.6	-54.2	-167.9	175.4	-170.3	0	110.6	L238 R239 R240 F244 T264 G266 D553	L238-K242 CarbonylContact C-O 3.6Å; L238-K242 WeakPolarHBondContact CA-O 2.88Å; R239-K242 PolarHBondContact N-O 2.98Å; R239-K242 PolarHBondContact O-N 2.73Å; R240-K242 VanDerWaalsContact C-N 3.31Å; R240-K242 PolarHBondContact O-N 3.01Å; K242-F244 HydrophobicContact CB-CE2 3.99Å; K242-T264 HydrophobicContact CB-CG2 4.08Å; K242-T264 HydrophobicContact CD-CG2 4.32Å; K242-G266 WeakPolarHBondContact CB-O 3.32Å; K242-G266 WeakPolarHBondContact CG-O 3.35Å; K242-D553 IonicContact NZ-OD2 3.77Å
243	L	95.5	Very high	80.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	132.7	176.2	-75.5	173.7	0	0	0	111.5	F214 L223 L236 E237 L238 T264 L265 L269 V277 F288 V290	F214-L243 HydrophobicContact CE1-CD1 3.72Å; F214-L243 HydrophobicContact CE1-CD2 4.38Å; F214-L243 HydrophobicContact CE1-CG 4.33Å; F214-L243 HydrophobicContact CZ-CD1 4.11Å; F214-L243 HydrophobicContact CZ-CD2 4.25Å; F214-L243 HydrophobicContact CZ-CG 4.25Å; L223-L243 HydrophobicContact CD1-CD2 3.48Å; L223-L243 VanDerWaalsContact CD1-CD2 3.48Å; L236-L243 HydrophobicContact CD1-CB 4.31Å; L236-L243 HydrophobicContact CD1-CD2 4.2Å; L236-L243 HydrophobicContact CD2-CD2 4.47Å; L236-L243 HydrophobicContact CG-CD2 4.13Å; E237-L243 WeakPolarHBondContact O-CA 3.48Å; L238-L243 HydrophobicContact CB-CD2 4.27Å; L238-L243 HydrophobicContact CD1-CD2 4.14Å; L238-L243 HydrophobicContact CD1-CG 4.37Å; L243-T264 CarbonylContact O-C 3.53Å; L243-T264 VanDerWaalsContact O-CA 3.28Å; L243-T264 WeakPolarHBondContact O-CA 3.21Å; L243-L265 WeakPolarHBondContact CB-O 3.42Å; L243-L265 PolarHBondContact N-O 2.91Å; L243-L265 PolarHBondContact O-N 3.22Å; L243-L269 HydrophobicContact CB-CD1 4.3Å; L243-L269 HydrophobicContact CD1-CD1 4.08Å; L243-L269 HydrophobicContact CG-CD1 3.65Å; L243-V277 HydrophobicContact CD1-CG2 3.5Å; L243-F288 HydrophobicContact CB-CZ 3.95Å; L243-V290 HydrophobicContact CB-CG2 4.44Å; L243-V290 HydrophobicContact CD1-CB 4.5Å; L243-V290 HydrophobicContact CD1-CG1 3.96Å; L243-V290 HydrophobicContact CD1-CG2 3.65Å
244	F	93.4	Very high	78.3	Confident	32 Å²	32	49 Å²	49	14%	0.14	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	122.2	173.9	-70.2	-102.3	0	0	0	109.1	L236 E237 R239 K242 L246 N262 L263 T264	L236-F244 WeakPolarHBondContact CA-O 3.37Å; E237-F244 HydrophobicContact CG-CB 3.86Å; E237-F244 PolarHBondContact N-O 2.85Å; E237-F244 PolarHBondContact O-N 2.96Å; R239-F244 HydrophobicContact CB-CD2 3.72Å; R239-F244 HydrophobicContact CB-CE2 3.74Å; R239-F244 HydrophobicContact CG-CE2 4.33Å; K242-F244 HydrophobicContact CB-CE2 3.99Å; F244-L246 HydrophobicContact CB-CD1 4.03Å; F244-N262 WeakPolarHBondContact CD1-OD1 3.45Å; F244-L263 CarbonylContact C-O 3.55Å; F244-L263 WeakPolarHBondContact CA-O 3.07Å; F244-T264 HydrophobicContact CD1-CG2 4.37Å; F244-T264 WeakPolarHBondContact CD1-OG1 3.37Å; F244-T264 HydrophobicContact CD2-CG2 4.41Å; F244-T264 HydrophobicContact CE1-CG2 3.97Å; F244-T264 WeakPolarHBondContact CE1-OG1 3.41Å; F244-T264 HydrophobicContact CE2-CG2 4Å; F244-T264 HydrophobicContact CZ-CG2 3.77Å
245	L	93	Very high	76.1	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	111.6	170	177.6	62.2	0	0	0	108.5	I234 T235 L236 I247 L263 I279 V286 F288	I234-L245 HydrophobicContact CG2-CD1 4.04Å; T235-L245 WeakPolarHBondContact O-CA 3.39Å; L236-L245 HydrophobicContact CD1-CB 4.28Å; L245-I247 HydrophobicContact CD1-CD1 4.48Å; L245-I247 HydrophobicContact CD1-CG1 4.25Å; L245-I247 HydrophobicContact CD2-CD1 4.16Å; L245-I247 HydrophobicContact CG-CD1 4.21Å; L245-I247 HydrophobicContact CG-CG1 4.17Å; L245-L263 HydrophobicContact CB-CB 4.4Å; L245-L263 HydrophobicContact CD2-CD1 4.47Å; L245-L263 PolarHBondContact N-O 3.21Å; L245-L263 PolarHBondContact O-N 2.71Å; L245-I279 HydrophobicContact CD1-CD1 3.89Å; L245-I279 HydrophobicContact CD2-CD1 4.46Å; L245-I279 HydrophobicContact CD2-CG1 4.32Å; L245-I279 HydrophobicContact CD2-CG2 4.13Å; L245-V286 HydrophobicContact CD2-CG1 4.08Å; L245-F288 HydrophobicContact CB-CD1 3.93Å; L245-F288 HydrophobicContact CB-CE1 3.84Å; L245-F288 HydrophobicContact CB-CE2 4.47Å; L245-F288 HydrophobicContact CB-CG 4.3Å; L245-F288 HydrophobicContact CB-CZ 4.13Å; L245-F288 HydrophobicContact CD2-CB 3.86Å; L245-F288 HydrophobicContact CD2-CD1 4.17Å; L245-F288 HydrophobicContact CD2-CD2 4.08Å; L245-F288 HydrophobicContact CD2-CG 3.79Å
246	L	88.5	Confident	73.6	Confident	27 Å²	27	58.7 Å²	58.7	14%	0.141	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	117.6	178.6	-57	101.1	0	0	0	109.9	I234 T235 E237 F244 I261	I234-L246 WeakPolarHBondContact CA-O 3.11Å; T235-L246 PolarHBondContact N-O 2.85Å; T235-L246 PolarHBondContact O-N 3.1Å; E237-L246 HydrophobicContact CG-CD1 3.86Å; F244-L246 HydrophobicContact CB-CD1 4.03Å; L246-I261 WeakPolarHBondContact CA-O 3.49Å
247	I	83.9	Confident	71	Confident	6 Å²	6	63.7 Å²	63.7	3%	0.031	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	119.8	175.2	-54.3	173	0	0	0	108.4	H233 I234 L245 I261 V286 L306	H233-I247 WeakPolarHBondContact O-CA 3.13Å; I234-I247 HydrophobicContact CG1-CG1 4.27Å; I234-I247 HydrophobicContact CG1-CG2 4.29Å; I234-I247 HydrophobicContact CG2-CG1 4.3Å; L245-I247 HydrophobicContact CD1-CD1 4.48Å; L245-I247 HydrophobicContact CD1-CG1 4.25Å; L245-I247 HydrophobicContact CD2-CD1 4.16Å; L245-I247 HydrophobicContact CG-CD1 4.21Å; L245-I247 HydrophobicContact CG-CG1 4.17Å; I247-I261 HydrophobicContact CB-CB 4.07Å; I247-I261 HydrophobicContact CB-CD1 4.17Å; I247-I261 HydrophobicContact CB-CG1 4.45Å; I247-I261 HydrophobicContact CG2-CD1 4.32Å; I247-I261 PolarHBondContact N-O 2.83Å; I247-I261 PolarHBondContact O-N 2.88Å; I247-V286 HydrophobicContact CD1-CG1 4.07Å; I247-V286 HydrophobicContact CD1-CG2 3.92Å; I247-L306 HydrophobicContact CG2-CD1 3.62Å; I247-L306 HydrophobicContact CG2-CD2 4.18Å
248	N	75.2	Confident	68.5	Low	27 Å²	27	66.6 Å²	66.6	14%	0.144	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.3	174.9	-175	14.9	0	0	0	109.6	D232 H233 L260 L306	D232-N248 WeakPolarHBondContact CA-O 3.16Å; H233-N248 PolarHBondContact N-O 2.75Å; H233-N248 PolarHBondContact O-N 3.38Å; N248-L260 HydrophobicContact CB-CD1 4.13Å; N248-L306 WeakPolarHBondContact O-CD2 3.34Å
249	S	62.3	Low	66.6	Low	34 Å²	34	68.7 Å²	68.7	24%	0.238	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	97.5	166.2	-167.1	0	0	0	0	106.5	D251	S249-D251 PolarHBondContact O-N 3.06Å
250	G	51.5	Low	65.2	Low	26 Å²	26	67.4 Å²	67.4	27%	0.268	38%	0.376	S	S	.	.			trans	-63.9	105.6	-174.9	0	0	0	0	0	111.7	D232 A252	D232-G250 VanDerWaalsContact OD1-CA 3.28Å; D232-G250 WeakPolarHBondContact OD1-CA 3.47Å; D232-G250 PolarHBondContact OD1-N 3.43Å; G250-A252 PolarHBondContact O-N 2.9Å
251	D	47.3	Very low	64	Low	95 Å²	95	61.6 Å²	61.6	51%	0.508	36%	0.355	S	S	.	.			trans	-82.6	89.1	166.2	-156.7	-0.4	0	0	0	108.4	S249 R253 S256	S249-D251 PolarHBondContact O-N 3.06Å; D251-R253 PolarHBondContact O-N 3.38Å; D251-S256 PolarHBondContact OD2-OG 2.8Å
252	A	39	Very low	63.4	Low	87 Å²	87	65.2 Å²	65.2	72%	0.719	38%	0.375	S	S	*	.			trans	-75	1.9	-176.2	0	0	0	0	0	113.6	G250	G250-A252 PolarHBondContact O-N 2.9Å
253	R	39.8	Very low	62.9	Low	207 Å²	207	63 Å²	63	78%	0.781	37%	0.365	S	S	*	.	S	Bend	trans	-134.8	109.3	-177.5	-64.8	-164.5	177.6	-162.3	1.3	112.1	D251	D251-R253 PolarHBondContact O-N 3.38Å
254	L	36.8	Very low	62.6	Low	146 Å²	146	65.2 Å²	65.2	76%	0.764	38%	0.379	S	S	*	.	S	Bend	trans	80.6	91.3	156.5	-54.8	157.8	0	0	0	117.2	S256	L254-S256 PolarHBondContact O-N 3Å; L254-S256 PolarHBondContact O-OG 2.94Å
255	T	41.3	Very low	62.5	Low	156 Å²	156	64.3 Å²	64.3	96%	0.957	38%	0.376	S	S	*	.	S	Bend	trans	58.7	-1.9	146.6	52	0	0	0	0	120.1
256	S	38.4	Very low	62.4	Low	60 Å²	60	64.9 Å²	64.9	42%	0.42	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-82.2	133.2	167.6	36.1	0	0	0	0	109.8	D251 L254 S258	D251-S256 PolarHBondContact OD2-OG 2.8Å; L254-S256 PolarHBondContact O-N 3Å; L254-S256 PolarHBondContact O-OG 2.94Å; S256-S258 PolarHBondContact O-N 2.83Å
257	S	41.5	Very low	62.6	Low	105 Å²	105	64.8 Å²	64.8	73%	0.734	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-53.1	122.2	172.6	51.2	0	0	0	0	110.4	T259	S257-T259 PolarHBondContact O-N 3.37Å
258	S	41.5	Very low	63.1	Low	75 Å²	75	65.1 Å²	65.1	52%	0.524	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-48.5	123.3	172.4	59.5	0	0	0	0	110.1	S256 L260	S256-S258 PolarHBondContact O-N 2.83Å; S258-L260 PolarHBondContact O-N 3.34Å
259	T	55.4	Low	64.1	Low	48 Å²	48	64 Å²	64	29%	0.294	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	89	-179.6	50.4	0	0	0	0	109.7	S257 Q300	S257-T259 PolarHBondContact O-N 3.37Å; T259-Q300 PolarHBondContact OG1-O 3.43Å; T259-Q300 VanDerWaalsContact OG1-O 3.11Å
260	L	64.7	Low	65.6	Low	89 Å²	89	62.5 Å²	62.5	47%	0.466	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	112.5	174.9	-174	75.8	0	0	0	109.7	N248 S258 N262	N248-L260 HydrophobicContact CB-CD1 4.13Å; S258-L260 PolarHBondContact O-N 3.34Å; L260-N262 PolarHBondContact O-N 2.61Å
261	I	67	Low	67.5	Low	12 Å²	12	62.6 Å²	62.6	6%	0.062	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	119.3	167.7	-51.4	177.4	0	0	0	107.3	L246 I247 L263 F297 A299	L246-I261 WeakPolarHBondContact CA-O 3.49Å; I247-I261 HydrophobicContact CB-CB 4.07Å; I247-I261 HydrophobicContact CB-CD1 4.17Å; I247-I261 HydrophobicContact CB-CG1 4.45Å; I247-I261 HydrophobicContact CG2-CD1 4.32Å; I247-I261 PolarHBondContact N-O 2.83Å; I247-I261 PolarHBondContact O-N 2.88Å; I261-L263 HydrophobicContact CG2-CD1 4.15Å; I261-L263 HydrophobicContact CG2-CD2 4.38Å; I261-L263 HydrophobicContact CG2-CG 3.84Å; I261-F297 HydrophobicContact CB-CD1 4.46Å; I261-F297 HydrophobicContact CB-CE1 4.12Å; I261-F297 HydrophobicContact CD1-CD1 3.78Å; I261-F297 HydrophobicContact CD1-CE1 3.53Å; I261-F297 HydrophobicContact CG1-CD1 4.1Å; I261-F297 HydrophobicContact CG1-CE1 3.49Å; I261-F297 VanDerWaalsContact CG1-CE1 3.49Å; I261-F297 HydrophobicContact CG1-CZ 4.28Å; I261-F297 HydrophobicContact CG2-CD1 3.59Å; I261-F297 HydrophobicContact CG2-CE1 3.65Å; I261-F297 HydrophobicContact CG2-CG 4.18Å; I261-F297 HydrophobicContact CG2-CZ 4.27Å; I261-A299 HydrophobicContact CD1-CB 3.54Å
262	N	79.9	Confident	69.6	Low	76 Å²	76	59.6 Å²	59.6	41%	0.406	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	100.4	174.8	-174.6	-0.2	0	0	0	109.1	F244 L260	F244-N262 WeakPolarHBondContact CD1-OD1 3.45Å; L260-N262 PolarHBondContact O-N 2.61Å
263	L	85.4	Confident	72.2	Confident	14 Å²	14	56.5 Å²	56.5	7%	0.073	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129.9	178.3	-59.9	174.2	0	0	0	109.9	F244 L245 I261 V286 F288 F297	F244-L263 CarbonylContact C-O 3.55Å; F244-L263 WeakPolarHBondContact CA-O 3.07Å; L245-L263 HydrophobicContact CB-CB 4.4Å; L245-L263 HydrophobicContact CD2-CD1 4.47Å; L245-L263 PolarHBondContact N-O 3.21Å; L245-L263 PolarHBondContact O-N 2.71Å; I261-L263 HydrophobicContact CG2-CD1 4.15Å; I261-L263 HydrophobicContact CG2-CD2 4.38Å; I261-L263 HydrophobicContact CG2-CG 3.84Å; L263-V286 HydrophobicContact CD1-CG1 4.48Å; L263-F288 HydrophobicContact CB-CD1 3.87Å; L263-F288 HydrophobicContact CB-CE1 4.42Å; L263-F288 HydrophobicContact CD1-CB 4.19Å; L263-F288 HydrophobicContact CD1-CD1 4.47Å; L263-F297 HydrophobicContact CD1-CB 3.89Å; L263-F297 HydrophobicContact CD1-CG 4.45Å; L263-F297 HydrophobicContact CD2-CB 4.1Å; L263-F297 HydrophobicContact CD2-CD2 4.04Å; L263-F297 HydrophobicContact CD2-CG 4.14Å
264	T	89.4	Confident	74.7	Confident	48 Å²	48	48.2 Å²	48.2	29%	0.294	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131.2	174.2	-49.5	0	0	0	0	110.2	K242 L243 F244	K242-T264 HydrophobicContact CB-CG2 4.08Å; K242-T264 HydrophobicContact CD-CG2 4.32Å; L243-T264 CarbonylContact O-C 3.53Å; L243-T264 VanDerWaalsContact O-CA 3.28Å; L243-T264 WeakPolarHBondContact O-CA 3.21Å; F244-T264 HydrophobicContact CD1-CG2 4.37Å; F244-T264 WeakPolarHBondContact CD1-OG1 3.37Å; F244-T264 HydrophobicContact CD2-CG2 4.41Å; F244-T264 HydrophobicContact CE1-CG2 3.97Å; F244-T264 WeakPolarHBondContact CE1-OG1 3.41Å; F244-T264 HydrophobicContact CE2-CG2 4Å; F244-T264 HydrophobicContact CZ-CG2 3.77Å
265	L	91.4	Very high	77.5	Confident	13 Å²	13	41.5 Å²	41.5	7%	0.068	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	156.2	172.7	-80.5	-176.6	0	0	0	112.1	L243 F288 V290 H293 R295	L243-L265 WeakPolarHBondContact CB-O 3.42Å; L243-L265 PolarHBondContact N-O 2.91Å; L243-L265 PolarHBondContact O-N 3.22Å; L265-F288 HydrophobicContact CB-CD1 4.14Å; L265-F288 HydrophobicContact CB-CE1 3.62Å; L265-F288 HydrophobicContact CB-CZ 4.05Å; L265-F288 HydrophobicContact CD1-CB 4.35Å; L265-F288 HydrophobicContact CD1-CD1 3.58Å; L265-F288 HydrophobicContact CD1-CD2 4.47Å; L265-F288 HydrophobicContact CD1-CE1 3.92Å; L265-F288 HydrophobicContact CD1-CG 3.88Å; L265-F288 HydrophobicContact CD1-CZ 4.48Å; L265-F288 WeakPolarHBondContact CD1-O 3.3Å; L265-F288 HydrophobicContact CG-CD1 3.87Å; L265-F288 HydrophobicContact CG-CE1 3.88Å; L265-V290 HydrophobicContact CB-CB 3.98Å; L265-V290 HydrophobicContact CB-CG2 3.55Å; L265-V290 HydrophobicContact CD1-CB 4.47Å; L265-V290 HydrophobicContact CD1-CG2 4.11Å; L265-H293 HydrophobicContact CD2-CB 4.36Å; L265-R295 HydrophobicContact CD1-CB 4.03Å; L265-R295 HydrophobicContact CD1-CG 4.05Å; L265-R295 HydrophobicContact CD2-CB 4.45Å; L265-R295 HydrophobicContact CD2-CG 3.58Å; L265-R295 HydrophobicContact CG-CB 4.34Å; L265-R295 HydrophobicContact CG-CG 3.88Å
266	G	90.7	Very high	80.1	Confident	11 Å²	11	36.1 Å²	36.1	11%	0.113	22%	0.218	C	C	.	.			trans	72.1	159.5	-179.4	0	0	0	0	0	113.7	K242 L556	K242-G266 WeakPolarHBondContact CB-O 3.32Å; K242-G266 WeakPolarHBondContact CG-O 3.35Å; G266-L556 WeakPolarHBondContact O-CD2 3.41Å
267	S	92.3	Very high	83	Confident	25 Å²	25	33.5 Å²	33.5	18%	0.175	20%	0.199	C	C	.	.	S	Bend	trans	-150.7	152.8	178.3	-167.2	0	0	0	0	109.8	G241 L269 D553	G241-S267 CarbonylContact O-C 3.6Å; S267-L269 PolarHBondContact O-N 3.27Å; S267-D553 VanDerWaalsContact CB-OD2 3.28Å; S267-D553 WeakPolarHBondContact CB-OD2 3.43Å; S267-D553 WeakPolarHBondContact OG-CB 2.98Å; S267-D553 PolarHBondContact OG-OD2 3.25Å
268	L	94.3	Very high	85.7	Confident	14 Å²	14	31 Å²	31	7%	0.073	18%	0.178	C	C	.	.			trans	54	34.8	179.4	-54.2	165.2	0	0	0	112.5	G241 D270 D271 W403 I551 D553	G241-L268 PolarHBondContact O-N 3.14Å; G241-L268 VanDerWaalsContact O-N 3.14Å; L268-D270 PolarHBondContact O-N 2.03Å; L268-D271 WeakPolarHBondContact O-CB 3.13Å; L268-W403 HydrophobicContact CD2-CZ2 4.43Å; L268-I551 HydrophobicContact CD1-CG2 3.95Å; L268-I551 HydrophobicContact CD2-CG2 4.21Å; L268-D553 HydrophobicContact CD1-CB 4.16Å
269	L	95.4	Very high	88.2	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.01	15%	0.154	C	C	.	.			trans	-76.6	4.3	-176.2	-52.6	171.3	0	0	0	113.4	F214 L238 G241 L243 S267 D271 H275 V290	F214-L269 HydrophobicContact CE2-CB 4.28Å; F214-L269 HydrophobicContact CZ-CB 3.9Å; F214-L269 HydrophobicContact CZ-CD1 4.01Å; F214-L269 HydrophobicContact CZ-CG 4.45Å; L238-L269 HydrophobicContact CD1-CB 3.97Å; L238-L269 HydrophobicContact CD1-CD1 4Å; G241-L269 WeakPolarHBondContact O-CB 3.39Å; G241-L269 VanDerWaalsContact O-CG 3.27Å; G241-L269 WeakPolarHBondContact O-CG 3.43Å; G241-L269 PolarHBondContact O-N 3.28Å; L243-L269 HydrophobicContact CB-CD1 4.3Å; L243-L269 HydrophobicContact CD1-CD1 4.08Å; L243-L269 HydrophobicContact CG-CD1 3.65Å; S267-L269 PolarHBondContact O-N 3.27Å; L269-D271 VanDerWaalsContact C-N 3.27Å; L269-H275 HydrophobicContact CD2-CB 4.36Å; L269-H275 VanDerWaalsContact CD2-CE1 3.48Å; L269-H275 WeakPolarHBondContact CD2-CE1 3.34Å; L269-H275 WeakPolarHBondContact CD2-ND1 3.13Å; L269-V290 HydrophobicContact CD1-CG1 4.47Å; L269-V290 HydrophobicContact CD2-CG1 4.42Å
270	D	93.9	Very high	90	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.016	16%	0.155	C	C	.	.			trans	-93.3	26.3	173.6	67.7	-30.9	0	0	0	111.6	T216 L268 Q272 R401 W455	T216-D270 CarbonylContact O-C 3.59Å; L268-D270 PolarHBondContact O-N 2.03Å; D270-Q272 VanDerWaalsContact C-N 3.34Å; D270-R401 IonicContact OD1-NH1 3.02Å; D270-R401 PolarHBondContact OD1-NH1 3.22Å; D270-R401 IonicContact OD2-NH1 3.56Å; D270-W455 VanDerWaalsContact OD2-CD1 3.29Å
271	D	92.5	Very high	91	Very high	28 Å²	28	24.9 Å²	24.9	15%	0.15	14%	0.135	C	C	.	.	S	Bend	trans	-87.8	2	-174.6	73.8	-2.5	0	0	0	113.9	N121 K123 L268 L269 H273 H275	N121-D271 PolarHBondContact ND2-O 3.08Å; K123-D271 IonicContact NZ-OD2 2.85Å; K123-D271 PolarHBondContact NZ-OD2 3.42Å; L268-D271 WeakPolarHBondContact O-CB 3.13Å; L269-D271 VanDerWaalsContact C-N 3.27Å; D271-H273 PolarHBondContact O-CE1 2.88Å; D271-H273 PolarHBondContact O-N 2.75Å; D271-H273 PolarHBondContact O-ND1 3.48Å; D271-H273 WeakPolarHBondContact OD1-CA 3.34Å; D271-H273 VanDerWaalsContact OD1-CB 3.28Å; D271-H273 WeakPolarHBondContact OD1-CB 2.99Å; D271-H273 IonicContact OD1-CG 3.09Å; D271-H273 PolarHBondContact OD1-N 3.24Å; D271-H273 IonicContact OD1-ND1 3.25Å; D271-H273 PolarHBondContact OD1-ND1 2.87Å; D271-H273 IonicContact OD2-CG 2.83Å; D271-H273 IonicContact OD2-ND1 3.28Å; D271-H273 PolarHBondContact OD2-ND1 3.06Å; D271-H275 IonicContact OD1-CD2 3.63Å; D271-H275 IonicContact OD1-CE1 2.86Å; D271-H275 IonicContact OD1-NE2 3.91Å; D271-H275 PolarHBondContact OD1-NE2 3.18Å; D271-H275 IonicContact OD2-CE1 2.65Å; D271-H275 IonicContact OD2-NE2 3.68Å
272	Q	91.4	Very high	91.9	Very high	33 Å²	33	29.1 Å²	29.1	15%	0.154	16%	0.157	C	C	.	.	S	Bend	trans	55.2	33.7	-172.2	-157.9	86.8	106.6	0	0	114	K215 T216 M217 D270	K215-Q272 HydrophobicContact CD-CG 4.4Å; K215-Q272 VanDerWaalsContact CD-O 3.22Å; K215-Q272 WeakPolarHBondContact CD-O 3.28Å; K215-Q272 HydrophobicContact CG-CG 4.29Å; T216-Q272 VanDerWaalsContact CA-NE2 3.32Å; T216-Q272 VanDerWaalsContact O-CA 3.32Å; T216-Q272 WeakPolarHBondContact O-CA 3.32Å; T216-Q272 PolarHBondContact O-N 2.89Å; M217-Q272 HydrophobicContact CG-CB 3.73Å; M217-Q272 HydrophobicContact CG-CG 3.92Å; M217-Q272 HydrophobicContact SD-CB 3.68Å; M217-Q272 HydrophobicContact SD-CG 4.39Å; D270-Q272 VanDerWaalsContact C-N 3.34Å
273	H	92.5	Very high	91.8	Very high	22 Å²	22	26 Å²	26	10%	0.102	14%	0.143	C	C	.	.	S	Bend	trans	-111.9	167.2	164.9	-62.7	90.9	0	0	0	111.3	N121 K123 K215 D271 H275	N121-H273 PolarHBondContact ND2-CE1 3.44Å; N121-H273 PolarHBondContact O-NE2 3.09Å; K123-H273 WeakPolarHBondContact CB-NE2 3.37Å; K123-H273 HydrophobicContact CD-CB 3.89Å; K215-H273 WeakPolarHBondContact CA-O 3.41Å; K215-H273 WeakPolarHBondContact CB-O 3.44Å; K215-H273 WeakPolarHBondContact CG-O 3.23Å; D271-H273 PolarHBondContact O-CE1 2.88Å; D271-H273 PolarHBondContact O-N 2.75Å; D271-H273 PolarHBondContact O-ND1 3.48Å; D271-H273 WeakPolarHBondContact OD1-CA 3.34Å; D271-H273 VanDerWaalsContact OD1-CB 3.28Å; D271-H273 WeakPolarHBondContact OD1-CB 2.99Å; D271-H273 IonicContact OD1-CG 3.09Å; D271-H273 PolarHBondContact OD1-N 3.24Å; D271-H273 IonicContact OD1-ND1 3.25Å; D271-H273 PolarHBondContact OD1-ND1 2.87Å; D271-H273 IonicContact OD2-CG 2.83Å; D271-H273 IonicContact OD2-ND1 3.28Å; D271-H273 PolarHBondContact OD2-ND1 3.06Å; H273-H275 PolarHBondContact O-CD2 2.97Å
274	W	93.8	Very high	91.4	Very high	33 Å²	33	27.3 Å²	27.3	13%	0.125	15%	0.148	C	C	.	.			trans	-77.5	128.2	175.9	-68.4	101.2	0	0	0	110.8	R90 D117 V185 K213 F214 K215 C334 E336	R90-W274 VanDerWaalsContact CZ-CD1 3.4Å; R90-W274 VanDerWaalsContact NH1-NE1 3.19Å; D117-W274 PolarHBondContact OD2-NE1 3.21Å; V185-W274 HydrophobicContact CG1-CH2 3.86Å; V185-W274 HydrophobicContact CG1-CZ2 4.21Å; V185-W274 HydrophobicContact CG2-CH2 4.22Å; V185-W274 HydrophobicContact CG2-CZ2 4.16Å; K213-W274 HydrophobicContact CB-CE3 3.94Å; K213-W274 HydrophobicContact CB-CZ3 4.5Å; F214-W274 WeakPolarHBondContact O-CA 3.09Å; K215-W274 HydrophobicContact CB-CD2 3.88Å; K215-W274 HydrophobicContact CB-CE3 3.73Å; K215-W274 HydrophobicContact CB-CG 4.44Å; K215-W274 HydrophobicContact CB-CH2 4.35Å; K215-W274 HydrophobicContact CB-CZ2 4.49Å; K215-W274 HydrophobicContact CB-CZ3 3.96Å; K215-W274 HydrophobicContact CD-CD2 4.38Å; W274-C334 HydrophobicContact CH2-CB 3.53Å; W274-C334 HydrophobicContact CZ2-CB 4.23Å; W274-C334 HydrophobicContact CZ3-CB 4.15Å; W274-C334 WeakPolarHBondContact CZ3-O 3.43Å; W274-E336 HydrophobicContact CE3-CB 3.88Å; W274-E336 HydrophobicContact CH2-CB 3.51Å; W274-E336 HydrophobicContact CZ2-CB 4.21Å; W274-E336 HydrophobicContact CZ3-CB 3.34Å
275	H	95.7	Very high	91.2	Very high	5 Å²	5	29.4 Å²	29.4	2%	0.023	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.8	171.3	-64.9	-77.2	0	0	0	109.4	K213 F214 L269 D271 H273 D291	K213-H275 CarbonylContact C-O 3.59Å; K213-H275 WeakPolarHBondContact CA-O 3.34Å; K213-H275 WeakPolarHBondContact CB-O 3.26Å; F214-H275 HydrophobicContact CD1-CB 4.07Å; F214-H275 HydrophobicContact CE1-CB 3.58Å; F214-H275 HydrophobicContact CZ-CB 3.98Å; F214-H275 PolarHBondContact N-O 3.4Å; F214-H275 PolarHBondContact O-N 3Å; L269-H275 HydrophobicContact CD2-CB 4.36Å; L269-H275 VanDerWaalsContact CD2-CE1 3.48Å; L269-H275 WeakPolarHBondContact CD2-CE1 3.34Å; L269-H275 WeakPolarHBondContact CD2-ND1 3.13Å; D271-H275 IonicContact OD1-CD2 3.63Å; D271-H275 IonicContact OD1-CE1 2.86Å; D271-H275 IonicContact OD1-NE2 3.91Å; D271-H275 PolarHBondContact OD1-NE2 3.18Å; D271-H275 IonicContact OD2-CE1 2.65Å; D271-H275 IonicContact OD2-NE2 3.68Å; H273-H275 PolarHBondContact O-CD2 2.97Å; H275-D291 WeakPolarHBondContact CA-OD1 3.44Å; H275-D291 IonicContact CE1-OD2 3.91Å; H275-D291 IonicContact CG-OD2 3.24Å; H275-D291 IonicContact ND1-OD1 2.81Å; H275-D291 IonicContact ND1-OD2 3.43Å; H275-D291 PolarHBondContact ND1-OD2 3.39Å
276	S	96	Very high	91	Very high	42 Å²	42	28.9 Å²	28.9	29%	0.294	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	139.9	177.5	55.1	0	0	0	0	111.9	V290 D291	S276-V290 CarbonylContact O-C 3.48Å; S276-V290 VanDerWaalsContact O-CA 3.31Å; S276-V290 WeakPolarHBondContact O-CA 3.38Å; S276-D291 PolarHBondContact N-OD1 3.02Å; S276-D291 PolarHBondContact O-N 3.02Å; S276-D291 WeakPolarHBondContact OG-CA 3.33Å
277	V	97.9	Very high	91.1	Very high	5 Å²	5	31 Å²	31	3%	0.03	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	132.5	176.9	-177.5	0	0	0	0	108.7	S211 L212 F214 L236 L243 I279 F288 T289	S211-V277 WeakPolarHBondContact CA-O 3.22Å; L212-V277 HydrophobicContact CD1-CB 4.08Å; L212-V277 HydrophobicContact CD1-CG2 4.13Å; L212-V277 HydrophobicContact CG-CB 4.23Å; L212-V277 PolarHBondContact N-O 2.71Å; L212-V277 PolarHBondContact O-N 2.8Å; L212-V277 VanDerWaalsContact O-O 3.12Å; F214-V277 HydrophobicContact CD1-CG2 3.96Å; F214-V277 HydrophobicContact CE1-CG2 3.87Å; L236-V277 HydrophobicContact CD2-CG1 3.86Å; L243-V277 HydrophobicContact CD1-CG2 3.5Å; V277-I279 HydrophobicContact CG1-CD1 4.49Å; V277-I279 HydrophobicContact CG1-CG1 4.24Å; V277-F288 HydrophobicContact CG1-CE2 3.97Å; V277-T289 WeakPolarHBondContact CA-O 3.16Å
278	L	97.5	Very high	91.2	Very high	54 Å²	54	29.8 Å²	29.8	28%	0.283	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	119.7	172.1	174.5	67.4	0	0	0	109	I209 I210 Q280 T289	I209-L278 HydrophobicContact CG2-CD1 4.11Å; I210-L278 WeakPolarHBondContact O-CA 3.32Å; L278-Q280 HydrophobicContact CD1-CG 3.92Å; L278-Q280 HydrophobicContact CD2-CG 4.1Å; L278-Q280 HydrophobicContact CG-CG 3.81Å; L278-T289 PolarHBondContact N-O 3.35Å; L278-T289 PolarHBondContact O-N 2.83Å
279	I	95	Very high	91.2	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.021	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	120	173.1	-58	164.5	0	0	0	106.9	I209 I210 L224 L236 L245 V277 N287 F288	I209-I279 WeakPolarHBondContact CA-O 3.31Å; I210-I279 HydrophobicContact CB-CB 4.31Å; I210-I279 PolarHBondContact N-O 3.45Å; I210-I279 PolarHBondContact O-N 3.03Å; L224-I279 HydrophobicContact CD2-CD1 4.25Å; L236-I279 HydrophobicContact CD1-CD1 4.44Å; L236-I279 HydrophobicContact CD2-CD1 4.3Å; L245-I279 HydrophobicContact CD1-CD1 3.89Å; L245-I279 HydrophobicContact CD2-CD1 4.46Å; L245-I279 HydrophobicContact CD2-CG1 4.32Å; L245-I279 HydrophobicContact CD2-CG2 4.13Å; V277-I279 HydrophobicContact CG1-CD1 4.49Å; V277-I279 HydrophobicContact CG1-CG1 4.24Å; I279-N287 CarbonylContact C-O 3.46Å; I279-N287 WeakPolarHBondContact CA-O 3.27Å; I279-F288 HydrophobicContact CG1-CD2 3.93Å; I279-F288 HydrophobicContact CG1-CE2 4.37Å
280	Q	92.8	Very high	91.2	Very high	68 Å²	68	30.2 Å²	30.2	32%	0.318	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	109.7	173.8	-45.1	175.8	-69.4	0	0	108.6	D208 I209 L278 V286 N287	D208-Q280 CarbonylContact O-C 3.58Å; D208-Q280 WeakPolarHBondContact O-CA 3.44Å; I209-Q280 HydrophobicContact CG1-CB 4.46Å; I209-Q280 HydrophobicContact CG1-CG 4.5Å; L278-Q280 HydrophobicContact CD1-CG 3.92Å; L278-Q280 HydrophobicContact CD2-CG 4.1Å; L278-Q280 HydrophobicContact CG-CG 3.81Å; Q280-V286 CarbonylContact O-C 3.47Å; Q280-V286 WeakPolarHBondContact O-CA 3.28Å; Q280-N287 HydrophobicContact CB-CB 4.13Å; Q280-N287 PolarHBondContact N-O 3.19Å; Q280-N287 PolarHBondContact O-N 2.95Å; Q280-N287 PolarHBondContact OE1-ND2 2.95Å
281	R	87.2	Confident	91.1	Very high	10 Å²	10	32.7 Å²	32.7	4%	0.038	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129.4	171.8	-170.8	177.2	76.2	80.2	-1.2	108.9	P205 R207 D208 G283 Q285 V286	P205-R281 PolarHBondContact O-NH2 2.99Å; R207-R281 CarbonylContact C-O 3.55Å; R207-R281 WeakPolarHBondContact CA-O 3.42Å; D208-R281 HydrophobicContact CB-CB 4.22Å; D208-R281 PolarHBondContact N-O 2.95Å; D208-R281 PolarHBondContact O-N 2.78Å; D208-R281 IonicContact OD2-CZ 2.87Å; D208-R281 VanDerWaalsContact OD2-CZ 3.31Å; D208-R281 IonicContact OD2-NE 2.8Å; D208-R281 PolarHBondContact OD2-NE 2.79Å; D208-R281 IonicContact OD2-NH2 3.32Å; D208-R281 PolarHBondContact OD2-NH2 2.87Å; R281-G283 PolarHBondContact NH1-O 3.13Å; R281-Q285 CarbonylContact C-O 3.57Å; R281-Q285 VanDerWaalsContact CA-O 3.31Å; R281-Q285 WeakPolarHBondContact CA-O 3.32Å; R281-V286 HydrophobicContact CG-CG2 4.03Å
282	L	84.5	Confident	90.6	Very high	101 Å²	101	37.2 Å²	37.2	53%	0.529	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	101.5	171	-175.3	70.4	0	0	0	108.8	R207 K284 Q285	R207-L282 HydrophobicContact CB-CD1 4.04Å; R207-L282 HydrophobicContact CG-CD1 4.23Å; L282-K284 PolarHBondContact O-N 3.02Å; L282-K284 VanDerWaalsContact O-N 3.13Å; L282-Q285 PolarHBondContact N-O 3.06Å; L282-Q285 PolarHBondContact O-N 2.62Å
283	G	78.3	Confident	90.4	Very high	12 Å²	12	39 Å²	39	12%	0.124	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	-115.7	-169.7	0	0	0	0	0	110.7	I206 R281 N304	I206-G283 PolarHBondContact O-N 3.04Å; R281-G283 PolarHBondContact NH1-O 3.13Å; G283-N304 WeakPolarHBondContact CA-O 3.39Å
284	K	76.4	Confident	90.3	Very high	41 Å²	41	47.7 Å²	47.7	18%	0.178	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-12.5	176.8	-68.5	175.3	-178.8	168.5	0	114	L282 A299 G301 E302 F303 N304	L282-K284 PolarHBondContact O-N 3.02Å; L282-K284 VanDerWaalsContact O-N 3.13Å; K284-A299 HydrophobicContact CB-CB 4.05Å; K284-A299 WeakPolarHBondContact CD-O 3.44Å; K284-A299 HydrophobicContact CG-CB 4.34Å; K284-A299 WeakPolarHBondContact O-CB 3.14Å; K284-A299 PolarHBondContact O-N 3.47Å; K284-G301 WeakPolarHBondContact CE-O 3.39Å; K284-G301 PolarHBondContact NZ-O 2.8Å; K284-E302 PolarHBondContact NZ-O 2.83Å; K284-F303 WeakPolarHBondContact CE-O 3.21Å; K284-N304 WeakPolarHBondContact CD-OD1 3.47Å; K284-N304 WeakPolarHBondContact CE-OD1 3.26Å; K284-N304 PolarHBondContact NZ-OD1 3.12Å
285	Q	84.9	Confident	90	Very high	92 Å²	92	52.9 Å²	52.9	43%	0.43	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	130	178.7	-71.9	-175.2	-11.3	0	0	110.5	R281 L282	R281-Q285 CarbonylContact C-O 3.57Å; R281-Q285 VanDerWaalsContact CA-O 3.31Å; R281-Q285 WeakPolarHBondContact CA-O 3.32Å; L282-Q285 PolarHBondContact N-O 3.06Å; L282-Q285 PolarHBondContact O-N 2.62Å
286	V	88.3	Confident	89.5	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.012	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	120.1	177.4	-178.6	0	0	0	0	108.6	L245 I247 L263 Q280 R281 H296 F297	L245-V286 HydrophobicContact CD2-CG1 4.08Å; I247-V286 HydrophobicContact CD1-CG1 4.07Å; I247-V286 HydrophobicContact CD1-CG2 3.92Å; L263-V286 HydrophobicContact CD1-CG1 4.48Å; Q280-V286 CarbonylContact O-C 3.47Å; Q280-V286 WeakPolarHBondContact O-CA 3.28Å; R281-V286 HydrophobicContact CG-CG2 4.03Å; V286-H296 CarbonylContact O-C 3.56Å; V286-H296 WeakPolarHBondContact O-CA 3.37Å; V286-F297 PolarHBondContact N-O 3.28Å; V286-F297 PolarHBondContact O-N 2.87Å
287	N	92.3	Very high	88.7	Confident	55 Å²	55	58.7 Å²	58.7	29%	0.294	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	120.4	162.7	-66.8	-19.9	0	0	0	108.2	I279 Q280 H296	I279-N287 CarbonylContact C-O 3.46Å; I279-N287 WeakPolarHBondContact CA-O 3.27Å; Q280-N287 HydrophobicContact CB-CB 4.13Å; Q280-N287 PolarHBondContact N-O 3.19Å; Q280-N287 PolarHBondContact O-N 2.95Å; Q280-N287 PolarHBondContact OE1-ND2 2.95Å; N287-H296 PolarHBondContact OD1-ND1 2.87Å
288	F	94.4	Very high	87.6	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	117.9	171.4	177.7	-146.4	0	0	0	108.2	L236 L243 L245 L263 L265 V277 I279 V290 R294 R295	L236-F288 HydrophobicContact CD1-CE2 3.86Å; L236-F288 HydrophobicContact CD1-CZ 3.81Å; L243-F288 HydrophobicContact CB-CZ 3.95Å; L245-F288 HydrophobicContact CB-CD1 3.93Å; L245-F288 HydrophobicContact CB-CE1 3.84Å; L245-F288 HydrophobicContact CB-CE2 4.47Å; L245-F288 HydrophobicContact CB-CG 4.3Å; L245-F288 HydrophobicContact CB-CZ 4.13Å; L245-F288 HydrophobicContact CD2-CB 3.86Å; L245-F288 HydrophobicContact CD2-CD1 4.17Å; L245-F288 HydrophobicContact CD2-CD2 4.08Å; L245-F288 HydrophobicContact CD2-CG 3.79Å; L263-F288 HydrophobicContact CB-CD1 3.87Å; L263-F288 HydrophobicContact CB-CE1 4.42Å; L263-F288 HydrophobicContact CD1-CB 4.19Å; L263-F288 HydrophobicContact CD1-CD1 4.47Å; L265-F288 HydrophobicContact CB-CD1 4.14Å; L265-F288 HydrophobicContact CB-CE1 3.62Å; L265-F288 HydrophobicContact CB-CZ 4.05Å; L265-F288 HydrophobicContact CD1-CB 4.35Å; L265-F288 HydrophobicContact CD1-CD1 3.58Å; L265-F288 HydrophobicContact CD1-CD2 4.47Å; L265-F288 HydrophobicContact CD1-CE1 3.92Å; L265-F288 HydrophobicContact CD1-CG 3.88Å; L265-F288 HydrophobicContact CD1-CZ 4.48Å; L265-F288 WeakPolarHBondContact CD1-O 3.3Å; L265-F288 HydrophobicContact CG-CD1 3.87Å; L265-F288 HydrophobicContact CG-CE1 3.88Å; V277-F288 HydrophobicContact CG1-CE2 3.97Å; I279-F288 HydrophobicContact CG1-CD2 3.93Å; I279-F288 HydrophobicContact CG1-CE2 4.37Å; F288-V290 HydrophobicContact CD2-CG2 4.32Å; F288-V290 HydrophobicContact CE1-CG2 4.3Å; F288-V290 HydrophobicContact CE2-CG2 3.53Å; F288-V290 HydrophobicContact CZ-CG2 3.51Å; F288-R294 CarbonylContact O-C 3.17Å; F288-R294 WeakPolarHBondContact O-CA 3.21Å; F288-R295 PolarHBondContact N-O 2.99Å; F288-R295 PolarHBondContact O-N 3.2Å
289	T	95.3	Very high	86.2	Confident	23 Å²	23	61.8 Å²	61.8	14%	0.141	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	130	-179.3	-53.5	0	0	0	0	109.5	V277 L278 H293 R294	V277-T289 WeakPolarHBondContact CA-O 3.16Å; L278-T289 PolarHBondContact N-O 3.35Å; L278-T289 PolarHBondContact O-N 2.83Å; T289-H293 CarbonylContact C-O 3.57Å; T289-H293 VanDerWaalsContact CA-O 3.26Å; T289-H293 WeakPolarHBondContact CA-O 3.27Å; T289-R294 HydrophobicContact CG2-CB 4.3Å
290	V	94.7	Very high	84.4	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.006	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	119.4	171.8	-178.7	0	0	0	0	107.5	L243 L265 L269 S276 F288 E292 H293	L243-V290 HydrophobicContact CB-CG2 4.44Å; L243-V290 HydrophobicContact CD1-CB 4.5Å; L243-V290 HydrophobicContact CD1-CG1 3.96Å; L243-V290 HydrophobicContact CD1-CG2 3.65Å; L265-V290 HydrophobicContact CB-CB 3.98Å; L265-V290 HydrophobicContact CB-CG2 3.55Å; L265-V290 HydrophobicContact CD1-CB 4.47Å; L265-V290 HydrophobicContact CD1-CG2 4.11Å; L269-V290 HydrophobicContact CD1-CG1 4.47Å; L269-V290 HydrophobicContact CD2-CG1 4.42Å; S276-V290 CarbonylContact O-C 3.48Å; S276-V290 VanDerWaalsContact O-CA 3.31Å; S276-V290 WeakPolarHBondContact O-CA 3.38Å; F288-V290 HydrophobicContact CD2-CG2 4.32Å; F288-V290 HydrophobicContact CE1-CG2 4.3Å; F288-V290 HydrophobicContact CE2-CG2 3.53Å; F288-V290 HydrophobicContact CZ-CG2 3.51Å; V290-E292 PolarHBondContact O-N 2.89Å; V290-H293 PolarHBondContact N-O 2.76Å; V290-H293 PolarHBondContact O-N 3.19Å
291	D	91.4	Very high	82.6	Confident	56 Å²	56	66.3 Å²	66.3	30%	0.299	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	-115.5	-168.9	-59.8	-32.1	0	0	0	110.8	H275 S276	H275-D291 WeakPolarHBondContact CA-OD1 3.44Å; H275-D291 IonicContact CE1-OD2 3.91Å; H275-D291 IonicContact CG-OD2 3.24Å; H275-D291 IonicContact ND1-OD1 2.81Å; H275-D291 IonicContact ND1-OD2 3.43Å; H275-D291 PolarHBondContact ND1-OD2 3.39Å; S276-D291 PolarHBondContact N-OD1 3.02Å; S276-D291 PolarHBondContact O-N 3.02Å; S276-D291 WeakPolarHBondContact OG-CA 3.33Å
292	E	82.9	Confident	80.9	Confident	122 Å²	122	73.9 Å²	73.9	57%	0.57	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-10.7	177.9	-54.3	-154.7	135	0	0	113.4	P150 V290	P150-E292 WeakPolarHBondContact CB-OE1 3.28Å; P150-E292 WeakPolarHBondContact CD-OE1 3.46Å; P150-E292 WeakPolarHBondContact CG-OE1 3.44Å; V290-E292 PolarHBondContact O-N 2.89Å
293	H	86.4	Confident	79.2	Confident	71 Å²	71	74.8 Å²	74.8	33%	0.329	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	123.1	-174	-64.2	94.9	0	0	0	110.9	L265 T289 V290	L265-H293 HydrophobicContact CD2-CB 4.36Å; T289-H293 CarbonylContact C-O 3.57Å; T289-H293 VanDerWaalsContact CA-O 3.26Å; T289-H293 WeakPolarHBondContact CA-O 3.27Å; V290-H293 PolarHBondContact N-O 2.76Å; V290-H293 PolarHBondContact O-N 3.19Å
294	R	90.5	Very high	78.1	Confident	204 Å²	204	78.9 Å²	78.9	77%	0.77	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.9	139.8	178	68.2	-179.9	68	-177.5	1.6	112	F288 T289	F288-R294 CarbonylContact O-C 3.17Å; F288-R294 WeakPolarHBondContact O-CA 3.21Å; T289-R294 HydrophobicContact CG2-CB 4.3Å
295	R	86.7	Confident	77.3	Confident	142 Å²	142	82.3 Å²	82.3	54%	0.536	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	121.8	166.9	-82.8	-92.8	-179.7	159.2	-3.5	108.2	L265 F288	L265-R295 HydrophobicContact CD1-CB 4.03Å; L265-R295 HydrophobicContact CD1-CG 4.05Å; L265-R295 HydrophobicContact CD2-CB 4.45Å; L265-R295 HydrophobicContact CD2-CG 3.58Å; L265-R295 HydrophobicContact CG-CB 4.34Å; L265-R295 HydrophobicContact CG-CG 3.88Å; F288-R295 PolarHBondContact N-O 2.99Å; F288-R295 PolarHBondContact O-N 3.2Å
296	H	86.5	Confident	76	Confident	95 Å²	95	78.4 Å²	78.4	44%	0.44	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	136.9	167.3	-175.3	74.3	0	0	0	108.8	V286 N287	V286-H296 CarbonylContact O-C 3.56Å; V286-H296 WeakPolarHBondContact O-CA 3.37Å; N287-H296 PolarHBondContact OD1-ND1 2.87Å
297	F	78.5	Confident	75.1	Confident	74 Å²	74	81.4 Å²	81.4	33%	0.325	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	143.5	178.1	-174.3	-94.3	0	0	0	110.7	I261 L263 V286	I261-F297 HydrophobicContact CB-CD1 4.46Å; I261-F297 HydrophobicContact CB-CE1 4.12Å; I261-F297 HydrophobicContact CD1-CD1 3.78Å; I261-F297 HydrophobicContact CD1-CE1 3.53Å; I261-F297 HydrophobicContact CG1-CD1 4.1Å; I261-F297 HydrophobicContact CG1-CE1 3.49Å; I261-F297 VanDerWaalsContact CG1-CE1 3.49Å; I261-F297 HydrophobicContact CG1-CZ 4.28Å; I261-F297 HydrophobicContact CG2-CD1 3.59Å; I261-F297 HydrophobicContact CG2-CE1 3.65Å; I261-F297 HydrophobicContact CG2-CG 4.18Å; I261-F297 HydrophobicContact CG2-CZ 4.27Å; L263-F297 HydrophobicContact CD1-CB 3.89Å; L263-F297 HydrophobicContact CD1-CG 4.45Å; L263-F297 HydrophobicContact CD2-CB 4.1Å; L263-F297 HydrophobicContact CD2-CD2 4.04Å; L263-F297 HydrophobicContact CD2-CG 4.14Å; V286-F297 PolarHBondContact N-O 3.28Å; V286-F297 PolarHBondContact O-N 2.87Å
298	H	75.4	Confident	74.1	Confident	105 Å²	105	79.3 Å²	79.3	49%	0.486	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	115.8	173.3	-167.7	82.9	0	0	0	109.9	Q300	H298-Q300 PolarHBondContact O-N 3.03Å
299	A	68	Low	73.1	Confident	20 Å²	20	82 Å²	82	17%	0.165	39%	0.386	C	S	.	.			trans	-65.5	126.3	175.7	0	0	0	0	0	111.4	I261 K284	I261-A299 HydrophobicContact CD1-CB 3.54Å; K284-A299 HydrophobicContact CB-CB 4.05Å; K284-A299 WeakPolarHBondContact CD-O 3.44Å; K284-A299 HydrophobicContact CG-CB 4.34Å; K284-A299 WeakPolarHBondContact O-CB 3.14Å; K284-A299 PolarHBondContact O-N 3.47Å
300	Q	57.6	Low	72.4	Confident	125 Å²	125	85.3 Å²	85.3	58%	0.584	40%	0.397	S	S	*	.			trans	-85.2	136.2	168.1	-70.9	-173.7	-12	0	0	110.5	T259 H298	T259-Q300 PolarHBondContact OG1-O 3.43Å; T259-Q300 VanDerWaalsContact OG1-O 3.11Å; H298-Q300 PolarHBondContact O-N 3.03Å
301	G	54.2	Low	72	Confident	41 Å²	41	87.5 Å²	87.5	42%	0.423	41%	0.407	S	S	.	.	S	Bend	trans	158.3	166.6	-179	0	0	0	0	0	111.4	K284	K284-G301 WeakPolarHBondContact CE-O 3.39Å; K284-G301 PolarHBondContact NZ-O 2.8Å
302	E	51.5	Low	72	Confident	170 Å²	170	84.9 Å²	84.9	79%	0.794	39%	0.393	S	S	*	.	S	Bend	trans	-73.7	-43	178.4	-75.2	-169.9	154.4	0	0	112.1	K284	K284-E302 PolarHBondContact NZ-O 2.83Å
303	F	48.5	Very low	72.5	Confident	120 Å²	120	79.3 Å²	79.3	53%	0.526	37%	0.368	S	S	.	.			trans	-89.7	147.2	-171.2	-58.6	-73.3	0	0	0	114.2	K284 Y305	K284-F303 WeakPolarHBondContact CE-O 3.21Å; F303-Y305 HydrophobicContact CB-CD1 4.21Å; F303-Y305 HydrophobicContact CB-CE1 4.04Å; F303-Y305 AromaticContact CD1-CE1 3.85Å; F303-Y305 HydrophobicContact CD1-CE1 3.85Å; F303-Y305 HydrophobicContact CG-CE1 4.21Å
304	N	55.6	Low	72.9	Confident	97 Å²	97	76 Å²	76	52%	0.519	35%	0.352	S	S	.	.	S	Bend	trans	-92.1	4.8	177.8	-71.8	-24.3	0	0	0	113.5	G283 K284	G283-N304 WeakPolarHBondContact CA-O 3.39Å; K284-N304 WeakPolarHBondContact CD-OD1 3.47Å; K284-N304 WeakPolarHBondContact CE-OD1 3.26Å; K284-N304 PolarHBondContact NZ-OD1 3.12Å
305	Y	60.6	Low	72.9	Confident	114 Å²	114	66.2 Å²	66.2	45%	0.447	32%	0.316	S	S	.	.	S	Bend	trans	-131.1	153.4	-177.8	66.8	-86.9	0	0	0	110.2	F303	F303-Y305 HydrophobicContact CB-CD1 4.21Å; F303-Y305 HydrophobicContact CB-CE1 4.04Å; F303-Y305 AromaticContact CD1-CE1 3.85Å; F303-Y305 HydrophobicContact CD1-CE1 3.85Å; F303-Y305 HydrophobicContact CG-CE1 4.21Å
306	L	57.1	Low	73	Confident	10 Å²	10	59.5 Å²	59.5	5%	0.052	29%	0.29	C	S	.	.			trans	-103.9	132.4	170.3	-69	162.4	0	0	0	107.6	S204 I234 I247 N248 L308	S204-L306 VanDerWaalsContact CB-O 3.29Å; S204-L306 WeakPolarHBondContact CB-O 3.05Å; I234-L306 HydrophobicContact CD1-CD1 3.83Å; I234-L306 HydrophobicContact CG1-CD1 4Å; I247-L306 HydrophobicContact CG2-CD1 3.62Å; I247-L306 HydrophobicContact CG2-CD2 4.18Å; N248-L306 WeakPolarHBondContact O-CD2 3.34Å; L306-L308 VanDerWaalsContact C-N 3.34Å; L306-L308 HydrophobicContact CB-CD1 3.93Å; L306-L308 HydrophobicContact CB-CD2 4.46Å; L306-L308 HydrophobicContact CB-CG 3.8Å; L306-L308 HydrophobicContact CD1-CD1 4.26Å; L306-L308 PolarHBondContact O-N 2.88Å; L306-L308 VanDerWaalsContact O-N 3.09Å
307	D	69	Low	72.8	Confident	65 Å²	65	56.9 Å²	56.9	35%	0.348	28%	0.279	S	S	.	.			trans	-83.7	79.4	177.2	-172	26.7	0	0	0	109.7	G228 D232	G228-D307 WeakPolarHBondContact CA-O 3.35Å; D232-D307 PolarHBondContact OD2-N 3.39Å
308	L	70.9	Confident	72.1	Confident	11 Å²	11	55.1 Å²	55.1	6%	0.058	28%	0.276	C	S	.	.			trans	-104.5	146.9	-177.1	-61.6	172.3	0	0	0	111.5	R226 D232 I234 L306	R226-L308 HydrophobicContact CG-CB 4.09Å; R226-L308 HydrophobicContact CG-CD1 4.26Å; R226-L308 HydrophobicContact CG-CD2 4.49Å; D232-L308 HydrophobicContact CB-CD2 3.85Å; D232-L308 VanDerWaalsContact O-CD2 3.31Å; D232-L308 WeakPolarHBondContact O-CD2 3.3Å; I234-L308 HydrophobicContact CD1-CD1 3.46Å; I234-L308 VanDerWaalsContact CD1-CD1 3.46Å; I234-L308 HydrophobicContact CG1-CD1 3.75Å; L306-L308 VanDerWaalsContact C-N 3.34Å; L306-L308 HydrophobicContact CB-CD1 3.93Å; L306-L308 HydrophobicContact CB-CD2 4.46Å; L306-L308 HydrophobicContact CB-CG 3.8Å; L306-L308 HydrophobicContact CD1-CD1 4.26Å; L306-L308 PolarHBondContact O-N 2.88Å; L306-L308 VanDerWaalsContact O-N 3.09Å
309	D	73.1	Confident	71.2	Confident	55 Å²	55	52.5 Å²	52.5	29%	0.294	27%	0.272	S	S	.	.			trans	-61.4	160.8	174.8	-71.9	-41.8	0	0	0	111.8	R226 A227 P229 E311	R226-D309 VanDerWaalsContact CZ-O 3.27Å; R226-D309 PolarHBondContact NE-O 3.16Å; R226-D309 PolarHBondContact NH2-O 2.62Å; A227-D309 WeakPolarHBondContact O-CB 3.5Å; A227-D309 PolarHBondContact O-N 3.17Å; P229-D309 WeakPolarHBondContact CD-OD1 3.47Å; D309-E311 HydrophobicContact CB-CG 4.24Å; D309-E311 PolarHBondContact O-N 2.82Å
310	Y	80.5	Confident	70.3	Confident	93 Å²	93	57.6 Å²	57.6	37%	0.365	30%	0.304	S	S	.	.	S	Bend	trans	-81.8	21.4	177.6	59.2	-86.2	0	0	0	112.9	F198 Q200	F198-Y310 WeakPolarHBondContact CD1-O 3.47Å; F198-Y310 WeakPolarHBondContact CE1-O 3.12Å; F198-Y310 PolarHBondContact N-O 2.91Å; F198-Y310 VanDerWaalsContact N-O 3.09Å; Q200-Y310 HydrophobicContact CG-CD1 3.57Å; Q200-Y310 HydrophobicContact CG-CD2 4.03Å; Q200-Y310 HydrophobicContact CG-CE1 3.75Å; Q200-Y310 HydrophobicContact CG-CE2 4.19Å; Q200-Y310 HydrophobicContact CG-CG 3.73Å; Q200-Y310 PolarHBondContact NE2-OH 3.26Å
311	E	87.2	Confident	69.8	Low	48 Å²	48	54.9 Å²	54.9	22%	0.224	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	140.8	175.2	65.7	-178.4	-165.4	0	0	111.4	L195 Y196 R197 R226 D309	L195-E311 HydrophobicContact CD1-CB 4.01Å; L195-E311 HydrophobicContact CD1-CG 4.26Å; Y196-E311 VanDerWaalsContact O-CA 3.31Å; Y196-E311 WeakPolarHBondContact O-CA 3.32Å; R197-E311 HydrophobicContact CG-CB 3.95Å; R197-E311 IonicContact CZ-OE2 2.71Å; R197-E311 IonicContact NE-OE2 3.68Å; R197-E311 PolarHBondContact NE-OE2 2.99Å; R197-E311 IonicContact NH2-OE2 3.66Å; R197-E311 PolarHBondContact NH2-OE2 2.88Å; R226-E311 WeakPolarHBondContact CG-O 3.35Å; D309-E311 HydrophobicContact CB-CG 4.24Å; D309-E311 PolarHBondContact O-N 2.82Å
312	I	90.9	Very high	69.2	Low	1 Å²	1	62.3 Å²	62.3	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	131.8	177	-178.6	165.7	0	0	0	109.1	Y196 F198 I210 L224 R226 F314 Y340	Y196-I312 HydrophobicContact CD1-CG2 3.83Å; Y196-I312 HydrophobicContact CG-CG2 4.39Å; Y196-I312 PolarHBondContact N-O 3.07Å; Y196-I312 PolarHBondContact O-N 3.06Å; F198-I312 HydrophobicContact CE1-CG2 4.16Å; I210-I312 HydrophobicContact CD1-CD1 4.1Å; L224-I312 HydrophobicContact CD1-CD1 4.25Å; R226-I312 HydrophobicContact CB-CB 4.33Å; R226-I312 HydrophobicContact CB-CD1 4.37Å; R226-I312 HydrophobicContact CB-CG1 4.11Å; I312-F314 HydrophobicContact CD1-CE1 4.08Å; I312-F314 HydrophobicContact CD1-CE2 4.4Å; I312-F314 HydrophobicContact CD1-CZ 3.7Å; I312-F314 HydrophobicContact CG1-CE1 4.31Å; I312-F314 HydrophobicContact CG1-CE2 4.08Å; I312-F314 HydrophobicContact CG1-CZ 3.85Å; I312-F314 HydrophobicContact CG2-CE2 3.79Å; I312-F314 HydrophobicContact CG2-CZ 4.06Å; I312-Y340 HydrophobicContact CD1-CD2 4Å; I312-Y340 HydrophobicContact CD1-CE2 4.07Å
313	S	92.9	Very high	68.7	Low	5 Å²	5	59.4 Å²	59.4	4%	0.035	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	143.1	178.8	58.8	0	0	0	0	111.3	L194 L224 H225 G316	L194-S313 CarbonylContact O-C 3.53Å; L194-S313 VanDerWaalsContact O-CA 3.24Å; L194-S313 WeakPolarHBondContact O-CA 3.39Å; L224-S313 CarbonylContact C-O 3.47Å; L224-S313 WeakPolarHBondContact CA-O 3.43Å; H225-S313 PolarHBondContact N-O 3.21Å; H225-S313 PolarHBondContact O-N 3.19Å; H225-S313 PolarHBondContact O-OG 2.93Å; S313-G316 VanDerWaalsContact CB-O 3.31Å; S313-G316 WeakPolarHBondContact CB-O 3.46Å; S313-G316 PolarHBondContact OG-O 2.81Å; S313-G316 VanDerWaalsContact OG-O 3.08Å
314	F	94.9	Very high	68.2	Low	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	136	176.1	-59.3	-82.4	0	0	0	110.4	S193 L194 I210 L223 L224 I312 G316 L335 L338 V345	S193-F314 CarbonylContact C-O 3.59Å; S193-F314 WeakPolarHBondContact CA-O 3.37Å; S193-F314 WeakPolarHBondContact CB-O 3.41Å; L194-F314 HydrophobicContact CB-CB 4.28Å; L194-F314 PolarHBondContact N-O 3.29Å; L194-F314 PolarHBondContact O-N 2.88Å; I210-F314 HydrophobicContact CG2-CE1 4.43Å; L223-F314 CarbonylContact O-C 3.52Å; L223-F314 VanDerWaalsContact O-CA 3.24Å; L223-F314 WeakPolarHBondContact O-CA 3.32Å; L224-F314 HydrophobicContact CB-CD1 3.58Å; L224-F314 HydrophobicContact CB-CE1 3.76Å; L224-F314 HydrophobicContact CD2-CE1 4.29Å; I312-F314 HydrophobicContact CD1-CE1 4.08Å; I312-F314 HydrophobicContact CD1-CE2 4.4Å; I312-F314 HydrophobicContact CD1-CZ 3.7Å; I312-F314 HydrophobicContact CG1-CE1 4.31Å; I312-F314 HydrophobicContact CG1-CE2 4.08Å; I312-F314 HydrophobicContact CG1-CZ 3.85Å; I312-F314 HydrophobicContact CG2-CE2 3.79Å; I312-F314 HydrophobicContact CG2-CZ 4.06Å; F314-G316 VanDerWaalsContact C-N 3.29Å; F314-G316 PolarHBondContact O-N 2.77Å; F314-L335 HydrophobicContact CB-CD1 4.48Å; F314-L338 HydrophobicContact CB-CD2 4.19Å; F314-L338 HydrophobicContact CD1-CD1 3.79Å; F314-L338 HydrophobicContact CD1-CD2 3.88Å; F314-L338 HydrophobicContact CD1-CG 4.43Å; F314-L338 HydrophobicContact CD2-CD2 3.91Å; F314-L338 HydrophobicContact CE1-CD1 3.57Å; F314-L338 HydrophobicContact CE1-CD2 4.23Å; F314-L338 HydrophobicContact CE1-CG 4.37Å; F314-L338 HydrophobicContact CE2-CD2 4.22Å; F314-L338 HydrophobicContact CG-CD1 4.47Å; F314-L338 HydrophobicContact CG-CD2 3.72Å; F314-L338 HydrophobicContact CZ-CD1 4.05Å; F314-L338 HydrophobicContact CZ-CD2 4.37Å; F314-L338 HydrophobicContact CZ-CG 4.49Å; F314-V345 HydrophobicContact CD2-CG1 4.24Å; F314-V345 HydrophobicContact CE2-CG1 4.15Å; F314-V345 HydrophobicContact CE2-CG2 4.19Å
315	G	92.2	Very high	67.5	Low	0 Å²	0	60 Å²	60	0%	0	34%	0.344	C	S	.	.	S	Bend	trans	80.8	-2.3	179.3	0	0	0	0	0	116.2	I222 L223 H330 F331	I222-G315 CarbonylContact O-C 3.47Å; I222-G315 VanDerWaalsContact O-CA 3.23Å; I222-G315 WeakPolarHBondContact O-CA 3.17Å; L223-G315 PolarHBondContact O-N 3.11Å; G315-H330 WeakPolarHBondContact O-CB 3.36Å; G315-F331 PolarHBondContact O-N 2.81Å
316	G	88.4	Confident	66.8	Low	0 Å²	0	59 Å²	59	0%	0	35%	0.346	C	S	.	.	S	Bend	trans	172.4	177.2	180	0	0	0	0	0	111.2	S313 F314	S313-G316 VanDerWaalsContact CB-O 3.31Å; S313-G316 WeakPolarHBondContact CB-O 3.46Å; S313-G316 PolarHBondContact OG-O 2.81Å; S313-G316 VanDerWaalsContact OG-O 3.08Å; F314-G316 VanDerWaalsContact C-N 3.29Å; F314-G316 PolarHBondContact O-N 2.77Å
317	I	81.9	Confident	66.8	Low	41 Å²	41	64.4 Å²	64.4	21%	0.21	38%	0.381	C	S	.	.			trans	-103	121.9	177.6	-60.6	173.3	0	0	0	108.3	I222 H225 Y328	I222-I317 HydrophobicContact CD1-CD1 3.4Å; I222-I317 VanDerWaalsContact CD1-CD1 3.4Å; I222-I317 HydrophobicContact CD1-CG1 3.58Å; H225-I317 HydrophobicContact CB-CG1 3.93Å; I317-Y328 HydrophobicContact CD1-CD2 3.65Å; I317-Y328 HydrophobicContact CD1-CE2 4.02Å; I317-Y328 HydrophobicContact CD1-CG 4.13Å
318	S	64.2	Low	66.8	Low	36 Å²	36	66 Å²	66	25%	0.252	38%	0.383	S	S	.	.			trans	-91	-8	-173.7	-63.6	0	0	0	0	115.1	S193	S193-S318 PolarHBondContact OG-OG 2.91Å
319	A	55.3	Low	67.5	Low	50 Å²	50	71.5 Å²	71.5	41%	0.413	41%	0.407	S	S	.	.	S	Bend	trans	-113.9	138.1	-176.6	0	0	0	0	0	112.2	A321	A319-A321 PolarHBondContact O-N 2.89Å
320	P	49.2	Very low	68.4	Low	127 Å²	127	71.9 Å²	71.9	83%	0.825	41%	0.406	S	S	*	.			trans	-73	73.8	159.2	31.9	-29	0	0	0	106.8	K322	P320-K322 PolarHBondContact O-N 2.91Å
321	A	47	Very low	69.1	Low	68 Å²	68	67.5 Å²	67.5	56%	0.562	39%	0.389	S	S	*	.			trans	-53.3	111.2	165.2	0	0	0	0	0	105.6	A319 S323	A319-A321 PolarHBondContact O-N 2.89Å; A321-S323 PolarHBondContact O-N 2.81Å; A321-S323 VanDerWaalsContact O-N 3.09Å
322	K	43.1	Very low	69.4	Low	197 Å²	197	69 Å²	69	86%	0.857	40%	0.396	S	S	*	.	S	Bend	trans	-47.5	124.1	171.5	-74.3	172.8	176.8	174.1	0	105.6	P320	P320-K322 PolarHBondContact O-N 2.91Å
323	S	39.3	Very low	69.6	Low	109 Å²	109	69.2 Å²	69.2	76%	0.762	40%	0.399	S	S	*	.	S	Bend	trans	62.3	92.8	-176	50.8	0	0	0	0	116	A321	A321-S323 PolarHBondContact O-N 2.81Å; A321-S323 VanDerWaalsContact O-N 3.09Å
324	V	38.2	Very low	69.7	Low	104 Å²	104	69 Å²	69	63%	0.63	40%	0.397	S	S	*	.				-170.1	113.4	104.8	174	0	0	0	0	106.8	L326	V324-L326 HydrophobicContact CG1-CB 4.18Å; V324-L326 HydrophobicContact CG1-CD1 3.53Å; V324-L326 HydrophobicContact CG1-CG 3.66Å; V324-L326 PolarHBondContact O-N 2.78Å
325	S	40.7	Very low	69.8	Low	126 Å²	126	69 Å²	69	88%	0.881	40%	0.397	S	S	*	.			trans	-75.8	58.4	176.9	179	0	0	0	0	111.5
326	L	47.2	Very low	69.9	Low	94 Å²	94	69 Å²	69	49%	0.492	40%	0.397	S	S	.	.			trans	-87.7	124.4	165.8	-81.5	160.1	0	0	0	107.6	V324 Y328	V324-L326 HydrophobicContact CG1-CB 4.18Å; V324-L326 HydrophobicContact CG1-CD1 3.53Å; V324-L326 HydrophobicContact CG1-CG 3.66Å; V324-L326 PolarHBondContact O-N 2.78Å; L326-Y328 HydrophobicContact CB-CD2 3.93Å; L326-Y328 HydrophobicContact CB-CE1 4.34Å; L326-Y328 HydrophobicContact CB-CE2 3.52Å; L326-Y328 HydrophobicContact CB-CG 4.5Å; L326-Y328 HydrophobicContact CD1-CE2 4.22Å; L326-Y328 VanDerWaalsContact CD1-OH 3.3Å; L326-Y328 WeakPolarHBondContact CD1-OH 3.34Å; L326-Y328 WeakPolarHBondContact O-CD2 3.11Å; L326-Y328 PolarHBondContact O-N 2.86Å
327	P	56	Low	70.3	Confident	123 Å²	123	70.1 Å²	70.1	80%	0.799	40%	0.403	S	S	*	.			trans	-72.6	75.9	177.3	30.8	-33.6	0	0	0	109	K329	P327-K329 PolarHBondContact O-N 3.32Å
328	Y	69.9	Low	71	Confident	98 Å²	98	68.1 Å²	68.1	38%	0.384	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-69	127.2	173.9	-67.4	-70	0	0	0	109.5	I222 I317 L326	I222-Y328 VanDerWaalsContact CD1-CB 3.45Å; I222-Y328 HydrophobicContact CD1-CD1 3.64Å; I222-Y328 HydrophobicContact CD1-CD2 4.27Å; I222-Y328 HydrophobicContact CD1-CE1 4.4Å; I222-Y328 HydrophobicContact CD1-CG 3.54Å; I222-Y328 HydrophobicContact CG1-CD1 4.26Å; I222-Y328 HydrophobicContact CG1-CG 4.49Å; I317-Y328 HydrophobicContact CD1-CD2 3.65Å; I317-Y328 HydrophobicContact CD1-CE2 4.02Å; I317-Y328 HydrophobicContact CD1-CG 4.13Å; L326-Y328 HydrophobicContact CB-CD2 3.93Å; L326-Y328 HydrophobicContact CB-CE1 4.34Å; L326-Y328 HydrophobicContact CB-CE2 3.52Å; L326-Y328 HydrophobicContact CB-CG 4.5Å; L326-Y328 HydrophobicContact CD1-CE2 4.22Å; L326-Y328 VanDerWaalsContact CD1-OH 3.3Å; L326-Y328 WeakPolarHBondContact CD1-OH 3.34Å; L326-Y328 WeakPolarHBondContact O-CD2 3.11Å; L326-Y328 PolarHBondContact O-N 2.86Å
329	K	86.4	Confident	72.5	Confident	126 Å²	126	69 Å²	69	55%	0.548	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-77.5	132.4	168.7	-68.2	-179.1	-178.6	175.5	0	108.7	D220 G221 I222 P327	D220-K329 HydrophobicContact CB-CD 4.12Å; G221-K329 WeakPolarHBondContact CA-O 3.31Å; I222-K329 PolarHBondContact N-O 3.46Å; P327-K329 PolarHBondContact O-N 3.32Å
330	H	91.4	Very high	74.3	Confident	63 Å²	63	66.9 Å²	66.9	29%	0.292	37%	0.374	S	S	.	.	B	Isolated β-bridge	trans	-70.2	152.3	169	-69.6	-176.5	0	0	0	109.7	G190 G315 H332	G190-H330 WeakPolarHBondContact O-CB 3.36Å; G315-H330 WeakPolarHBondContact O-CB 3.36Å; H330-H332 PolarHBondContact O-N 2.89Å
331	F	94.1	Very high	76.2	Confident	1 Å²	1	63.9 Å²	63.9	0%	0.004	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-71.4	129.2	-179.7	175.1	-99.2	0	0	0	110.6	L188 G190 F214 T216 I222 L223 G315 G333 L335	L188-F331 HydrophobicContact CB-CD1 4.48Å; L188-F331 HydrophobicContact CD1-CD1 4.29Å; G190-F331 WeakPolarHBondContact CA-O 3.5Å; G190-F331 PolarHBondContact N-O 3.07Å; F214-F331 HydrophobicContact CB-CE2 4.37Å; F214-F331 HydrophobicContact CB-CZ 3.93Å; F214-F331 AromaticContact CD2-CE2 3.79Å; F214-F331 HydrophobicContact CD2-CE2 3.79Å; F214-F331 HydrophobicContact CD2-CZ 4.05Å; F214-F331 HydrophobicContact CG-CE2 4.46Å; F214-F331 HydrophobicContact CG-CZ 4.46Å; T216-F331 HydrophobicContact CG2-CE2 3.94Å; I222-F331 WeakPolarHBondContact O-CB 3.2Å; L223-F331 HydrophobicContact CG-CD2 4.14Å; L223-F331 HydrophobicContact CG-CE2 4.38Å; G315-F331 PolarHBondContact O-N 2.81Å; F331-G333 WeakPolarHBondContact CE1-O 3.33Å; F331-L335 HydrophobicContact CD1-CD2 4.22Å; F331-L335 HydrophobicContact CD1-CG 4.48Å; F331-L335 HydrophobicContact CE1-CD2 3.66Å; F331-L335 HydrophobicContact CE1-CG 4.05Å; F331-L335 HydrophobicContact CZ-CD2 4.07Å
332	H	94.2	Very high	78.3	Confident	79 Å²	79	63.4 Å²	63.4	37%	0.366	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	115.9	172.9	178.1	-151	0	0	0	108.3	L188 T216 E218 H330	L188-H332 CarbonylContact O-C 3.54Å; L188-H332 WeakPolarHBondContact O-CA 3.26Å; L188-H332 PolarHBondContact O-CD2 3.01Å; T216-H332 WeakPolarHBondContact CB-O 3.49Å; T216-H332 PolarHBondContact OG1-O 2.89Å; E218-H332 HydrophobicContact CG-CB 3.95Å; E218-H332 IonicContact OE1-ND1 3.97Å; H330-H332 PolarHBondContact O-N 2.89Å
333	G	94.5	Very high	80.6	Confident	6 Å²	6	56.3 Å²	56.3	6%	0.062	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	145.8	-166.8	-176.2	0	0	0	0	0	112.3	L188 K215 F331	L188-G333 PolarHBondContact N-O 3.4Å; L188-G333 PolarHBondContact O-N 2.78Å; K215-G333 WeakPolarHBondContact O-CA 3.44Å; F331-G333 WeakPolarHBondContact CE1-O 3.33Å
334	C	95.5	Very high	83.2	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.007	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	141.1	-172.4	-52.6	0	0	0	0	111.6	V185 I186 D187 F214 K215 W274 C366	V185-C334 HydrophobicContact CG1-CB 4.14Å; I186-C334 CarbonylContact O-C 3.51Å; I186-C334 VanDerWaalsContact O-CA 3.28Å; I186-C334 WeakPolarHBondContact O-CA 3.35Å; D187-C334 VanDerWaalsContact CG-SG 3.6Å; F214-C334 CarbonylContact C-O 3.6Å; F214-C334 WeakPolarHBondContact CA-O 3.26Å; K215-C334 PolarHBondContact N-O 2.81Å; K215-C334 PolarHBondContact O-N 3.15Å; W274-C334 HydrophobicContact CH2-CB 3.53Å; W274-C334 HydrophobicContact CZ2-CB 4.23Å; W274-C334 HydrophobicContact CZ3-CB 4.15Å; W274-C334 WeakPolarHBondContact CZ3-O 3.43Å; C334-C366 HydrophobicContact CB-CB 3.88Å; C334-C366 WeakPolarHBondContact CB-SG 3.35Å; C334-C366 WeakPolarHBondContact SG-CA 3.46Å; C334-C366 WeakPolarHBondContact SG-CB 3.21Å; C334-C366 CovalentContact SG-SG 2.03Å; C334-C366 PolarHBondContact SG-SG 3.37Å
335	L	96.7	Very high	85.9	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	141.6	167.8	-56.3	178.1	0	0	0	109.3	V185 I186 L188 K213 F214 L223 F314 F331 L338	V185-L335 CarbonylContact C-O 3.59Å; V185-L335 WeakPolarHBondContact CA-O 3.3Å; I186-L335 HydrophobicContact CG2-CB 3.88Å; I186-L335 PolarHBondContact N-O 2.99Å; I186-L335 PolarHBondContact O-N 2.6Å; L188-L335 HydrophobicContact CD1-CD1 3.84Å; L188-L335 HydrophobicContact CD1-CG 4.36Å; K213-L335 CarbonylContact O-C 3.52Å; K213-L335 VanDerWaalsContact O-CA 3.32Å; K213-L335 WeakPolarHBondContact O-CA 3.19Å; F214-L335 HydrophobicContact CB-CD2 3.71Å; L223-L335 HydrophobicContact CD2-CD2 4.3Å; F314-L335 HydrophobicContact CB-CD1 4.48Å; F331-L335 HydrophobicContact CD1-CD2 4.22Å; F331-L335 HydrophobicContact CD1-CG 4.48Å; F331-L335 HydrophobicContact CE1-CD2 3.66Å; F331-L335 HydrophobicContact CE1-CG 4.05Å; F331-L335 HydrophobicContact CZ-CD2 4.07Å; L335-L338 HydrophobicContact CD1-CD2 4.46Å
336	E	95.4	Very high	88.5	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	140.6	178.6	163.4	174.7	-114.2	0	0	110.1	R90 S183 V184 V185 K213 W274 L338	R90-E336 IonicContact CZ-OE1 3.41Å; R90-E336 IonicContact CZ-OE2 3.86Å; R90-E336 IonicContact NH1-OE1 2.7Å; R90-E336 PolarHBondContact NH1-OE1 3.49Å; R90-E336 IonicContact NH1-OE2 3.43Å; R90-E336 PolarHBondContact NH1-OE2 2.77Å; R90-E336 IonicContact NH2-OE2 2.67Å; S183-E336 WeakPolarHBondContact CB-OE1 3.46Å; S183-E336 PolarHBondContact OG-OE1 3.28Å; V184-E336 CarbonylContact O-C 3.55Å; V184-E336 VanDerWaalsContact O-CA 3.31Å; V184-E336 WeakPolarHBondContact O-CA 3.15Å; V185-E336 HydrophobicContact CG2-CB 4.15Å; V185-E336 HydrophobicContact CG2-CG 4.4Å; K213-E336 HydrophobicContact CB-CB 4.06Å; K213-E336 HydrophobicContact CB-CG 4.39Å; K213-E336 HydrophobicContact CD-CG 4.49Å; K213-E336 VanDerWaalsContact CD-OE2 3.32Å; K213-E336 WeakPolarHBondContact CD-OE2 3.37Å; K213-E336 PolarHBondContact N-O 3.37Å; K213-E336 PolarHBondContact O-N 3.23Å; W274-E336 HydrophobicContact CE3-CB 3.88Å; W274-E336 HydrophobicContact CH2-CB 3.51Å; W274-E336 HydrophobicContact CZ2-CB 4.21Å; W274-E336 HydrophobicContact CZ3-CB 3.34Å; E336-L338 VanDerWaalsContact C-N 3.3Å; E336-L338 PolarHBondContact O-N 2.91Å
337	N	95.5	Very high	90.7	Very high	23 Å²	23	38 Å²	38	12%	0.123	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	50	52.6	170.2	-68.9	-9	0	0	0	111.2	Y181 R182 V184 F339	Y181-N337 PolarHBondContact OH-ND2 3.09Å; Y181-N337 VanDerWaalsContact OH-ND2 3.15Å; R182-N337 PolarHBondContact O-ND2 2.91Å; V184-N337 PolarHBondContact N-OD1 3.44Å; V184-N337 PolarHBondContact O-N 3.48Å; N337-F339 HydrophobicContact CB-CD2 4.47Å; N337-F339 HydrophobicContact CB-CE2 3.84Å; N337-F339 WeakPolarHBondContact O-CD2 3.35Å; N337-F339 PolarHBondContact O-N 2.77Å
338	L	97	Very high	92.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	107.9	-179.2	173.6	62.5	0	0	0	109.8	L194 S211 L212 F314 L335 E336 V345 I346	L194-L338 HydrophobicContact CD1-CD2 4.5Å; S211-L338 CarbonylContact O-C 3.5Å; S211-L338 WeakPolarHBondContact O-CA 3.19Å; L212-L338 HydrophobicContact CB-CB 4.4Å; L212-L338 HydrophobicContact CB-CD1 3.64Å; L212-L338 HydrophobicContact CD2-CD1 3.71Å; L212-L338 HydrophobicContact CG-CD1 4.32Å; F314-L338 HydrophobicContact CB-CD2 4.19Å; F314-L338 HydrophobicContact CD1-CD1 3.79Å; F314-L338 HydrophobicContact CD1-CD2 3.88Å; F314-L338 HydrophobicContact CD1-CG 4.43Å; F314-L338 HydrophobicContact CD2-CD2 3.91Å; F314-L338 HydrophobicContact CE1-CD1 3.57Å; F314-L338 HydrophobicContact CE1-CD2 4.23Å; F314-L338 HydrophobicContact CE1-CG 4.37Å; F314-L338 HydrophobicContact CE2-CD2 4.22Å; F314-L338 HydrophobicContact CG-CD1 4.47Å; F314-L338 HydrophobicContact CG-CD2 3.72Å; F314-L338 HydrophobicContact CZ-CD1 4.05Å; F314-L338 HydrophobicContact CZ-CD2 4.37Å; F314-L338 HydrophobicContact CZ-CG 4.49Å; L335-L338 HydrophobicContact CD1-CD2 4.46Å; E336-L338 VanDerWaalsContact C-N 3.3Å; E336-L338 PolarHBondContact O-N 2.91Å; L338-V345 HydrophobicContact CD2-CB 3.84Å; L338-V345 HydrophobicContact CD2-CG1 3.94Å; L338-V345 HydrophobicContact CD2-CG2 4.43Å; L338-V345 HydrophobicContact CG-CB 3.91Å; L338-V345 HydrophobicContact CG-CG2 4.19Å; L338-V345 PolarHBondContact O-N 3.48Å; L338-I346 HydrophobicContact CB-CD1 3.74Å; L338-I346 HydrophobicContact CB-CG1 3.93Å; L338-I346 HydrophobicContact CD2-CG1 4.48Å
339	F	96.3	Very high	93.6	Very high	53 Å²	53	29 Å²	29	23%	0.232	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	135.2	176.3	-59.8	-88.6	0	0	0	111.8	I210 S211 N337 V343 D344	I210-F339 WeakPolarHBondContact CA-O 3.16Å; S211-F339 PolarHBondContact N-O 2.8Å; S211-F339 PolarHBondContact O-N 2.5Å; N337-F339 HydrophobicContact CB-CD2 4.47Å; N337-F339 HydrophobicContact CB-CE2 3.84Å; N337-F339 WeakPolarHBondContact O-CD2 3.35Å; N337-F339 PolarHBondContact O-N 2.77Å; F339-V343 VanDerWaalsContact CA-O 3.26Å; F339-V343 WeakPolarHBondContact CA-O 3.43Å; F339-D344 HydrophobicContact CD1-CB 4.04Å; F339-D344 HydrophobicContact CE1-CB 3.67Å
340	Y	92.9	Very high	93.8	Very high	6 Å²	6	27 Å²	27	2%	0.024	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	114.7	169.1	174.4	-95.3	0	0	0	108.9	Y196 F198 I210 R226 I312 G342 V343	Y196-Y340 HydrophobicContact CD1-CD1 4.06Å; Y196-Y340 AromaticContact CE1-CD1 3.67Å; Y196-Y340 HydrophobicContact CE1-CD1 3.67Å; Y196-Y340 HydrophobicContact CE1-CE1 4.18Å; F198-Y340 AromaticContact CD1-CE1 3.96Å; F198-Y340 HydrophobicContact CD1-CE1 3.96Å; F198-Y340 AromaticContact CE1-CE1 3.77Å; F198-Y340 HydrophobicContact CE1-CE1 3.77Å; F198-Y340 AromaticContact CE1-CZ 3.95Å; F198-Y340 HydrophobicContact CG-CE1 4.49Å; F198-Y340 HydrophobicContact CZ-CE1 4.15Å; F198-Y340 WeakPolarHBondContact CZ-OH 3.48Å; I210-Y340 HydrophobicContact CD1-CD2 4.24Å; I210-Y340 HydrophobicContact CD1-CE2 4.41Å; I210-Y340 HydrophobicContact CG1-CD2 3.95Å; I210-Y340 HydrophobicContact CG1-CE2 4.37Å; R226-Y340 PolarHBondContact NH1-OH 3.46Å; I312-Y340 HydrophobicContact CD1-CD2 4Å; I312-Y340 HydrophobicContact CD1-CE2 4.07Å; Y340-G342 PolarHBondContact O-N 2.84Å; Y340-G342 VanDerWaalsContact O-N 3.16Å; Y340-V343 PolarHBondContact N-O 3.09Å; Y340-V343 WeakPolarHBondContact O-CB 3.29Å; Y340-V343 PolarHBondContact O-N 3.02Å
341	N	89.7	Confident	93.8	Very high	65 Å²	65	31.2 Å²	31.2	35%	0.348	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	40.3	-176.9	-69.6	-27.8	0	0	0	113.2	D208 I209 V343	D208-N341 WeakPolarHBondContact CA-OD1 3.32Å; I209-N341 PolarHBondContact N-OD1 3.21Å; I209-N341 PolarHBondContact O-N 2.93Å; N341-V343 VanDerWaalsContact C-N 3.31Å; N341-V343 PolarHBondContact O-N 2.84Å
342	G	89.5	Confident	93.5	Very high	58 Å²	58	39 Å²	39	60%	0.598	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.2	-4.1	-179.5	0	0	0	0	0	115.2	Y340	Y340-G342 PolarHBondContact O-N 2.84Å; Y340-G342 VanDerWaalsContact O-N 3.16Å
343	V	92.1	Very high	93.4	Very high	47 Å²	47	36.2 Å²	36.2	29%	0.285	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	123.1	175.3	-179.1	0	0	0	0	110	F339 Y340 N341 V345 L348	F339-V343 VanDerWaalsContact CA-O 3.26Å; F339-V343 WeakPolarHBondContact CA-O 3.43Å; Y340-V343 PolarHBondContact N-O 3.09Å; Y340-V343 WeakPolarHBondContact O-CB 3.29Å; Y340-V343 PolarHBondContact O-N 3.02Å; N341-V343 VanDerWaalsContact C-N 3.31Å; N341-V343 PolarHBondContact O-N 2.84Å; V343-V345 PolarHBondContact O-N 2.93Å; V343-V345 VanDerWaalsContact O-N 3.16Å; V343-L348 HydrophobicContact CG1-CD1 3.63Å; V343-L348 HydrophobicContact CG1-CG 4.18Å
344	D	94.1	Very high	93.1	Very high	38 Å²	38	42.2 Å²	42.2	20%	0.203	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	97.4	172	-177.6	-3.4	0	0	0	110.1	F339 I346 G347 L348	F339-D344 HydrophobicContact CD1-CB 4.04Å; F339-D344 HydrophobicContact CE1-CB 3.67Å; D344-I346 VanDerWaalsContact C-N 3.34Å; D344-I346 PolarHBondContact O-N 3.22Å; D344-I346 PolarHBondContact OD1-N 3.44Å; D344-G347 VanDerWaalsContact CG-N 3.3Å; D344-G347 PolarHBondContact O-N 3.23Å; D344-G347 PolarHBondContact OD1-N 3.35Å; D344-L348 PolarHBondContact O-N 3.4Å
345	V	94.9	Very high	92.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.8	-37.4	-175.7	-179.1	0	0	0	0	110.9	F314 L338 V343 G347 L348 V349 I356	F314-V345 HydrophobicContact CD2-CG1 4.24Å; F314-V345 HydrophobicContact CE2-CG1 4.15Å; F314-V345 HydrophobicContact CE2-CG2 4.19Å; L338-V345 HydrophobicContact CD2-CB 3.84Å; L338-V345 HydrophobicContact CD2-CG1 3.94Å; L338-V345 HydrophobicContact CD2-CG2 4.43Å; L338-V345 HydrophobicContact CG-CB 3.91Å; L338-V345 HydrophobicContact CG-CG2 4.19Å; L338-V345 PolarHBondContact O-N 3.48Å; V343-V345 PolarHBondContact O-N 2.93Å; V343-V345 VanDerWaalsContact O-N 3.16Å; V345-G347 VanDerWaalsContact C-N 3.34Å; V345-L348 WeakPolarHBondContact O-CB 3.3Å; V345-L348 PolarHBondContact O-N 3.16Å; V345-V349 WeakPolarHBondContact O-CG2 3.36Å; V345-V349 PolarHBondContact O-N 3.41Å; V345-I356 HydrophobicContact CG1-CD1 3.75Å
346	I	94.5	Very high	92.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-71.3	-35.8	178	-61.2	164.3	0	0	0	110	V184 I186 L338 D344 L348 V349 K350 F364	V184-I346 HydrophobicContact CG1-CB 3.94Å; V184-I346 HydrophobicContact CG1-CG2 3.6Å; I186-I346 HydrophobicContact CB-CD1 4.33Å; I186-I346 HydrophobicContact CB-CG1 4.26Å; I186-I346 HydrophobicContact CB-CG2 4.09Å; I186-I346 HydrophobicContact CG2-CD1 3.78Å; I186-I346 HydrophobicContact CG2-CG1 3.82Å; L338-I346 HydrophobicContact CB-CD1 3.74Å; L338-I346 HydrophobicContact CB-CG1 3.93Å; L338-I346 HydrophobicContact CD2-CG1 4.48Å; D344-I346 VanDerWaalsContact C-N 3.34Å; D344-I346 PolarHBondContact O-N 3.22Å; D344-I346 PolarHBondContact OD1-N 3.44Å; I346-L348 VanDerWaalsContact C-N 3.33Å; I346-L348 PolarHBondContact O-N 3.32Å; I346-V349 WeakPolarHBondContact O-CB 3.11Å; I346-V349 PolarHBondContact O-N 2.86Å; I346-V349 VanDerWaalsContact O-N 3.16Å; I346-K350 PolarHBondContact O-N 3.03Å; I346-F364 HydrophobicContact CG2-CD1 4.43Å
347	G	93.5	Very high	92.4	Very high	10 Å²	10	49 Å²	49	10%	0.103	27%	0.269	C	S	.	.	H	α-helix	trans	-53.8	-48.8	169.9	0	0	0	0	0	111.9	D344 V345 V349 K350 E351	D344-G347 VanDerWaalsContact CG-N 3.3Å; D344-G347 PolarHBondContact O-N 3.23Å; D344-G347 PolarHBondContact OD1-N 3.35Å; V345-G347 VanDerWaalsContact C-N 3.34Å; G347-V349 VanDerWaalsContact C-N 3.28Å; G347-V349 PolarHBondContact O-N 2.93Å; G347-K350 PolarHBondContact O-N 2.96Å; G347-K350 VanDerWaalsContact O-N 3.1Å; G347-E351 WeakPolarHBondContact O-CG 3.3Å; G347-E351 PolarHBondContact O-N 3.08Å
348	L	93.7	Very high	92.1	Very high	22 Å²	22	50.6 Å²	50.6	12%	0.115	28%	0.279	C	S	.	.	H	α-helix	trans	-59.1	-36.9	175.9	-66.3	-176.8	0	0	0	113	Y196 V343 D344 V345 I346 E351 H352 S353 I356	Y196-L348 HydrophobicContact CD2-CD1 3.9Å; Y196-L348 HydrophobicContact CE2-CD1 3.45Å; Y196-L348 VanDerWaalsContact CE2-CD1 3.45Å; V343-L348 HydrophobicContact CG1-CD1 3.63Å; V343-L348 HydrophobicContact CG1-CG 4.18Å; D344-L348 PolarHBondContact O-N 3.4Å; V345-L348 WeakPolarHBondContact O-CB 3.3Å; V345-L348 PolarHBondContact O-N 3.16Å; I346-L348 VanDerWaalsContact C-N 3.33Å; I346-L348 PolarHBondContact O-N 3.32Å; L348-E351 PolarHBondContact O-N 3.39Å; L348-H352 PolarHBondContact O-N 2.93Å; L348-H352 VanDerWaalsContact O-N 3.16Å; L348-S353 PolarHBondContact O-N 2.62Å; L348-I356 HydrophobicContact CB-CB 4.41Å; L348-I356 HydrophobicContact CB-CG2 4.17Å
349	V	92.9	Very high	91.7	Very high	10 Å²	10	54.7 Å²	54.7	6%	0.061	30%	0.299	C	S	.	.	H	α-helix	trans	-65.4	-45.8	175	-176.3	0	0	0	0	110.6	I186 L194 V345 I346 G347 E351 H352 I356 F364	I186-V349 HydrophobicContact CD1-CG1 4.26Å; L194-V349 HydrophobicContact CD1-CG2 4.15Å; L194-V349 HydrophobicContact CD2-CG2 3.97Å; V345-V349 WeakPolarHBondContact O-CG2 3.36Å; V345-V349 PolarHBondContact O-N 3.41Å; I346-V349 WeakPolarHBondContact O-CB 3.11Å; I346-V349 PolarHBondContact O-N 2.86Å; I346-V349 VanDerWaalsContact O-N 3.16Å; G347-V349 VanDerWaalsContact C-N 3.28Å; G347-V349 PolarHBondContact O-N 2.93Å; V349-E351 VanDerWaalsContact C-N 3.28Å; V349-E351 PolarHBondContact O-N 3.27Å; V349-H352 PolarHBondContact O-N 2.99Å; V349-H352 VanDerWaalsContact O-N 3.13Å; V349-I356 HydrophobicContact CG2-CD1 4.46Å; V349-I356 HydrophobicContact CG2-CG1 3.6Å; V349-I356 HydrophobicContact CG2-CG2 4.23Å; V349-F364 HydrophobicContact CB-CE1 4.31Å; V349-F364 HydrophobicContact CG1-CE1 3.94Å; V349-F364 HydrophobicContact CG1-CZ 3.88Å
350	K	90.9	Very high	91.2	Very high	86 Å²	86	54.7 Å²	54.7	37%	0.374	31%	0.314	S	S	.	.	H	α-helix	trans	-62.1	-36.9	178.4	-73.8	-176.7	175.2	-173.7	0	112.2	V184 I346 G347 H352 F364	V184-K350 HydrophobicContact CG1-CD 4.45Å; I346-K350 PolarHBondContact O-N 3.03Å; G347-K350 PolarHBondContact O-N 2.96Å; G347-K350 VanDerWaalsContact O-N 3.1Å; K350-H352 VanDerWaalsContact C-N 3.26Å; K350-H352 PolarHBondContact O-CE1 2.73Å; K350-H352 PolarHBondContact O-N 3.08Å; K350-H352 PolarHBondContact O-ND1 3.01Å; K350-F364 HydrophobicContact CB-CE1 4.38Å; K350-F364 HydrophobicContact CB-CZ 4.38Å; K350-F364 HydrophobicContact CD-CD1 4.13Å; K350-F364 HydrophobicContact CD-CE1 4.3Å; K350-F364 HydrophobicContact CG-CD1 3.59Å; K350-F364 HydrophobicContact CG-CD2 4.46Å; K350-F364 HydrophobicContact CG-CE1 3.3Å; K350-F364 HydrophobicContact CG-CE2 4.22Å; K350-F364 HydrophobicContact CG-CG 4.16Å; K350-F364 HydrophobicContact CG-CZ 3.63Å
351	E	91.9	Very high	90.7	Very high	151 Å²	151	61.1 Å²	61.1	71%	0.706	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-3.2	178.7	-68.1	176.3	-179.6	0	0	113.4	G347 L348 V349 S353	G347-E351 WeakPolarHBondContact O-CG 3.3Å; G347-E351 PolarHBondContact O-N 3.08Å; L348-E351 PolarHBondContact O-N 3.39Å; V349-E351 VanDerWaalsContact C-N 3.28Å; V349-E351 PolarHBondContact O-N 3.27Å; E351-S353 VanDerWaalsContact C-N 3.29Å; E351-S353 PolarHBondContact O-N 3.04Å
352	H	87.8	Confident	90.3	Very high	163 Å²	163	59.5 Å²	59.5	76%	0.755	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	40.7	-177.2	-56	72	0	0	0	112.7	L348 V349 K350	L348-H352 PolarHBondContact O-N 2.93Å; L348-H352 VanDerWaalsContact O-N 3.16Å; V349-H352 PolarHBondContact O-N 2.99Å; V349-H352 VanDerWaalsContact O-N 3.13Å; K350-H352 VanDerWaalsContact C-N 3.26Å; K350-H352 PolarHBondContact O-CE1 2.73Å; K350-H352 PolarHBondContact O-N 3.08Å; K350-H352 PolarHBondContact O-ND1 3.01Å
353	S	92.1	Very high	90.4	Very high	22 Å²	22	59 Å²	59	15%	0.154	33%	0.331	C	S	.	.			trans	-63.3	140.2	-179.6	176.5	0	0	0	0	111.9	L348 E351 Q355 I356	L348-S353 PolarHBondContact O-N 2.62Å; E351-S353 VanDerWaalsContact C-N 3.29Å; E351-S353 PolarHBondContact O-N 3.04Å; S353-Q355 PolarHBondContact O-N 2.92Å; S353-Q355 VanDerWaalsContact O-N 3.17Å; S353-Q355 PolarHBondContact OG-N 2.66Å; S353-I356 WeakPolarHBondContact O-CG2 3.2Å; S353-I356 PolarHBondContact O-N 3.06Å
354	P	89.1	Confident	90.4	Very high	131 Å²	131	61.1 Å²	61.1	85%	0.851	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-13.1	176.2	28.9	-36.2	0	0	0	113.7	I356	P354-I356 VanDerWaalsContact C-N 3.3Å
355	Q	89.3	Confident	90.1	Very high	72 Å²	72	63.1 Å²	63.1	34%	0.336	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-14.7	177.9	-70.8	177.6	-36.2	0	0	113.3	Y196 R197 S353	Y196-Q355 HydrophobicContact CD2-CB 4.45Å; Y196-Q355 HydrophobicContact CE2-CB 4.13Å; R197-Q355 PolarHBondContact N-O 3.18Å; R197-Q355 WeakPolarHBondContact O-CB 3.35Å; S353-Q355 PolarHBondContact O-N 2.92Å; S353-Q355 VanDerWaalsContact O-N 3.17Å; S353-Q355 PolarHBondContact OG-N 2.66Å
356	I	91.6	Very high	89.8	Confident	16 Å²	16	64.8 Å²	64.8	8%	0.082	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.4	-176.9	-166	68.2	0	0	0	110.3	L194 Y196 V345 L348 V349 S353 P354	L194-I356 HydrophobicContact CB-CD1 4.26Å; Y196-I356 HydrophobicContact CD2-CD1 4.33Å; Y196-I356 HydrophobicContact CG-CD1 4.44Å; V345-I356 HydrophobicContact CG1-CD1 3.75Å; L348-I356 HydrophobicContact CB-CB 4.41Å; L348-I356 HydrophobicContact CB-CG2 4.17Å; V349-I356 HydrophobicContact CG2-CD1 4.46Å; V349-I356 HydrophobicContact CG2-CG1 3.6Å; V349-I356 HydrophobicContact CG2-CG2 4.23Å; S353-I356 WeakPolarHBondContact O-CG2 3.2Å; S353-I356 PolarHBondContact O-N 3.06Å; P354-I356 VanDerWaalsContact C-N 3.3Å
357	I	91.1	Very high	89.1	Confident	57 Å²	57	67.9 Å²	67.9	29%	0.292	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	117.3	174	-59.3	173.9	0	0	0	108	L195 M359	L195-I357 HydrophobicContact CB-CB 4.26Å; L195-I357 HydrophobicContact CD2-CD1 4.39Å; L195-I357 PolarHBondContact N-O 2.61Å; L195-I357 PolarHBondContact O-N 3.3Å; I357-M359 HydrophobicContact CG2-CE 4.32Å; I357-M359 HydrophobicContact CG2-SD 4.36Å
358	T	90.2	Very high	88.2	Confident	55 Å²	55	73.1 Å²	73.1	34%	0.337	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	117.6	172.5	-53.5	0	0	0	0	109	L194 A362	L194-T358 HydrophobicContact CD2-CG2 4.01Å; T358-A362 HydrophobicContact CG2-CB 4.09Å
359	M	88.1	Confident	87.2	Confident	87 Å²	87	72.8 Å²	72.8	43%	0.429	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	128.4	169.8	-64.3	-67.4	-162.3	0	0	108.4	S192 S193 I357	S192-M359 CarbonylContact C-O 3.55Å; S192-M359 WeakPolarHBondContact CA-O 3.4Å; S192-M359 VanDerWaalsContact CB-O 3.23Å; S192-M359 WeakPolarHBondContact CB-O 3.17Å; S193-M359 PolarHBondContact N-O 3.02Å; S193-M359 PolarHBondContact O-N 3.38Å; I357-M359 HydrophobicContact CG2-CE 4.32Å; I357-M359 HydrophobicContact CG2-SD 4.36Å
360	G	86.5	Confident	86.2	Confident	52 Å²	52	81.8 Å²	81.8	54%	0.536	45%	0.449	S	S	.	.	S	Bend	trans	76.8	-163.9	-176.1	0	0	0	0	0	113.5
361	N	82.2	Confident	85.7	Confident	141 Å²	141	78.6 Å²	78.6	75%	0.754	44%	0.438	S	S	*	.			trans	-102.6	128.2	-178.5	-68.6	-21.1	0	0	0	109.9
362	A	81	Confident	85.6	Confident	31 Å²	31	72.7 Å²	72.7	26%	0.256	41%	0.411	S	S	.	.			trans	-117.4	136.1	175.6	0	0	0	0	0	110.7	I186 L188 T358	I186-A362 HydrophobicContact CD1-CB 3.63Å; I186-A362 HydrophobicContact CG1-CB 3.83Å; L188-A362 HydrophobicContact CD2-CB 4.39Å; T358-A362 HydrophobicContact CG2-CB 4.09Å
363	S	90.9	Very high	85.9	Confident	47 Å²	47	65.2 Å²	65.2	33%	0.329	38%	0.376	S	S	.	.	B	Isolated β-bridge	trans	-103.3	143.2	176.1	159.9	0	0	0	0	109.8	I186 D187 S365	I186-S363 CarbonylContact C-O 3.58Å; I186-S363 VanDerWaalsContact CA-O 3.28Å; I186-S363 WeakPolarHBondContact CA-O 3.33Å; D187-S363 PolarHBondContact N-O 3.01Å; D187-S363 PolarHBondContact O-N 2.98Å; S363-S365 PolarHBondContact O-N 2.98Å; S363-S365 PolarHBondContact OG-N 3.03Å; S363-S365 PolarHBondContact OG-O 3.14Å; S363-S365 PolarHBondContact OG-OG 3.24Å
364	F	91.7	Very high	86	Confident	92 Å²	92	64.1 Å²	64.1	40%	0.404	37%	0.369	S	S	.	.	S	Bend	trans	-91	17.5	173.8	-56.4	-68.1	0	0	0	113.4	V185 I186 I346 V349 K350	V185-F364 WeakPolarHBondContact O-CA 3.28Å; I186-F364 HydrophobicContact CD1-CE1 4.38Å; I186-F364 HydrophobicContact CG1-CD1 4.42Å; I346-F364 HydrophobicContact CG2-CD1 4.43Å; V349-F364 HydrophobicContact CB-CE1 4.31Å; V349-F364 HydrophobicContact CG1-CE1 3.94Å; V349-F364 HydrophobicContact CG1-CZ 3.88Å; K350-F364 HydrophobicContact CB-CE1 4.38Å; K350-F364 HydrophobicContact CB-CZ 4.38Å; K350-F364 HydrophobicContact CD-CD1 4.13Å; K350-F364 HydrophobicContact CD-CE1 4.3Å; K350-F364 HydrophobicContact CG-CD1 3.59Å; K350-F364 HydrophobicContact CG-CD2 4.46Å; K350-F364 HydrophobicContact CG-CE1 3.3Å; K350-F364 HydrophobicContact CG-CE2 4.22Å; K350-F364 HydrophobicContact CG-CG 4.16Å; K350-F364 HydrophobicContact CG-CZ 3.63Å
365	S	88.6	Confident	86.4	Confident	80 Å²	80	57.9 Å²	57.9	56%	0.559	33%	0.328	S	S	*	.	S	Bend	trans	-131.8	138.5	174.9	66.6	0	0	0	0	109	D187 S363	D187-S365 WeakPolarHBondContact CB-O 3.43Å; S363-S365 PolarHBondContact O-N 2.98Å; S363-S365 PolarHBondContact OG-N 3.03Å; S363-S365 PolarHBondContact OG-O 3.14Å; S363-S365 PolarHBondContact OG-OG 3.24Å
366	C	88.3	Confident	86.7	Confident	35 Å²	35	54.5 Å²	54.5	24%	0.236	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-87.5	128.5	-178.7	-172.2	0	0	0	0	110.9	V185 K215 C334	V185-C366 HydrophobicContact CG1-CB 3.97Å; K215-C366 WeakPolarHBondContact CE-SG 3.39Å; K215-C366 PolarHBondContact NZ-SG 3.44Å; C334-C366 HydrophobicContact CB-CB 3.88Å; C334-C366 WeakPolarHBondContact CB-SG 3.35Å; C334-C366 WeakPolarHBondContact SG-CA 3.46Å; C334-C366 WeakPolarHBondContact SG-CB 3.21Å; C334-C366 CovalentContact SG-SG 2.03Å; C334-C366 PolarHBondContact SG-SG 3.37Å
367	S	80.1	Confident	86.7	Confident	65 Å²	65	57.1 Å²	57.1	46%	0.455	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-56.8	146.1	176.5	50.9	0	0	0	0	113.1	D187	D187-S367 WeakPolarHBondContact OD2-CB 3.23Å; D187-S367 PolarHBondContact OD2-N 3.08Å; D187-S367 PolarHBondContact OD2-OG 2.84Å
368	Q	75.3	Confident	86.8	Confident	121 Å²	121	55.5 Å²	55.5	57%	0.565	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-81.5	151	178.6	-75.3	-171.4	5.6	0	0	111.7	Q370	Q368-Q370 PolarHBondContact O-N 2.87Å
369	P	70.7	Confident	86.8	Confident	14 Å²	14	56.4 Å²	56.4	9%	0.091	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-61.4	129.4	178	25.2	-33.6	0	0	0	111	R120 N121	R120-P369 HydrophobicContact CB-CG 4.16Å; N121-P369 HydrophobicContact CB-CG 4.35Å
370	Q	72.9	Confident	86.9	Confident	200 Å²	200	61 Å²	61	94%	0.935	34%	0.339	S	S	*	.	S	Bend	trans	-87.7	-20	176.4	-66.2	-167.2	-7.2	0	0	113.2	Q368	Q368-Q370 PolarHBondContact O-N 2.87Å
371	S	81	Confident	87.3	Confident	19 Å²	19	58.5 Å²	58.5	13%	0.133	31%	0.314	C	S	.	.			trans	-118.7	141.4	-178.3	74.1	0	0	0	0	112.2	M217	M217-S371 WeakPolarHBondContact CE-OG 3.44Å
372	M	88.8	Confident	87.9	Confident	27 Å²	27	52.9 Å²	52.9	13%	0.133	28%	0.282	C	S	.	.			trans	-107.5	110.2	179.2	-174.8	176.2	-179.1	0	0	109.5	L530 I531 I546 D547	M372-L530 HydrophobicContact CB-CD1 4.21Å; M372-L530 HydrophobicContact CE-CB 4.42Å; M372-L530 HydrophobicContact CG-CB 4.28Å; M372-L530 HydrophobicContact CG-CD1 4.45Å; M372-L530 WeakPolarHBondContact O-CD1 3.36Å; M372-L530 HydrophobicContact SD-CB 3.63Å; M372-I531 HydrophobicContact SD-CG1 3.94Å; M372-I546 HydrophobicContact CE-CG2 3.26Å; M372-D547 HydrophobicContact CE-CB 3.5Å; M372-D547 VanDerWaalsContact CE-CB 3.5Å; M372-D547 HydrophobicContact CG-CB 3.95Å; M372-D547 WeakPolarHBondContact CG-OD1 3.38Å
373	P	94.1	Very high	88.6	Confident	5 Å²	5	51.4 Å²	51.4	3%	0.032	27%	0.27	C	S	.	.			trans	-80.9	154.1	179.5	30.1	-31.4	0	0	0	112.5	W455 M518 R519 D547 S548 C549	P373-W455 HydrophobicContact CB-CH2 4.42Å; P373-M518 WeakPolarHBondContact CA-O 3.04Å; P373-R519 HydrophobicContact CB-CB 4.33Å; P373-D547 CarbonylContact O-C 3.58Å; P373-D547 VanDerWaalsContact O-CA 3.26Å; P373-D547 WeakPolarHBondContact O-CA 3.45Å; P373-D547 PolarHBondContact O-N 2.74Å; P373-S548 CarbonylContact C-O 3.56Å; P373-S548 PolarHBondContact O-N 2.97Å; P373-C549 HydrophobicContact CB-CB 4.06Å; P373-C549 HydrophobicContact CG-CB 4.28Å
374	L	95.4	Very high	88.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.6	172.7	-58.1	174.4	0	0	0	109.2	F376 L383 C517 M518 I521 L530 I546 S548	L374-F376 HydrophobicContact CB-CE2 4.24Å; L374-L383 HydrophobicContact CD1-CD2 3.61Å; L374-C517 CarbonylContact O-C 3.53Å; L374-C517 WeakPolarHBondContact O-CA 3.36Å; L374-M518 PolarHBondContact N-O 2.99Å; L374-M518 PolarHBondContact O-N 2.05Å; L374-I521 HydrophobicContact CD1-CD1 3.88Å; L374-L530 HydrophobicContact CD1-CD1 4.18Å; L374-L530 HydrophobicContact CD1-CD2 3.8Å; L374-L530 HydrophobicContact CD2-CD1 4.16Å; L374-L530 HydrophobicContact CD2-CD2 4.3Å; L374-L530 HydrophobicContact CG-CD1 3.95Å; L374-L530 HydrophobicContact CG-CD2 4.32Å; L374-I546 HydrophobicContact CD2-CB 4.09Å; L374-I546 HydrophobicContact CD2-CG1 3.86Å; L374-I546 HydrophobicContact CD2-CG2 3.86Å; L374-S548 CarbonylContact C-O 3.51Å
375	T	95.8	Very high	88.9	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	127.1	170.2	-51.7	0	0	0	0	110.5	L377 L544 Q545 S548 C549 G550 W570	T375-L377 HydrophobicContact CG2-CD2 3.85Å; T375-L377 HydrophobicContact CG2-CG 4.49Å; T375-L544 VanDerWaalsContact O-CA 3.32Å; T375-L544 WeakPolarHBondContact O-CA 3.42Å; T375-Q545 PolarHBondContact N-O 3.14Å; T375-Q545 PolarHBondContact O-N 2.86Å; T375-S548 PolarHBondContact N-O 2.59Å; T375-S548 PolarHBondContact OG1-O 3.13Å; T375-C549 VanDerWaalsContact OG1-CA 3.26Å; T375-C549 WeakPolarHBondContact OG1-CA 3.48Å; T375-G550 PolarHBondContact OG1-N 2.85Å; T375-W570 HydrophobicContact CG2-CH2 3.5Å; T375-W570 HydrophobicContact CG2-CZ2 4.03Å
376	F	96.8	Very high	89	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	103.4	170.5	-68.3	-107	0	0	0	108.1	L374 L383 F495 F514 Q515 G516 M518 L544	L374-F376 HydrophobicContact CB-CE2 4.24Å; F376-L383 HydrophobicContact CE1-CB 4.42Å; F376-L383 HydrophobicContact CZ-CB 4.29Å; F376-F495 WeakPolarHBondContact CE1-O 3.19Å; F376-F495 HydrophobicContact CZ-CB 4.31Å; F376-F514 HydrophobicContact CB-CD1 3.86Å; F376-F514 HydrophobicContact CB-CE1 4.28Å; F376-F514 VanDerWaalsContact CB-O 3.3Å; F376-F514 WeakPolarHBondContact CB-O 3.24Å; F376-F514 HydrophobicContact CD1-CD1 4.23Å; F376-F514 AromaticContact CD2-CD1 3.76Å; F376-F514 HydrophobicContact CD2-CD1 3.76Å; F376-F514 AromaticContact CD2-CE1 3.75Å; F376-F514 HydrophobicContact CD2-CE1 3.75Å; F376-F514 HydrophobicContact CE2-CD1 4.39Å; F376-F514 HydrophobicContact CE2-CE1 4.38Å; F376-F514 AromaticContact CG-CD1 3.68Å; F376-F514 HydrophobicContact CG-CD1 3.68Å; F376-F514 HydrophobicContact CG-CE1 4.12Å; F376-Q515 WeakPolarHBondContact O-CA 2.77Å; F376-G516 PolarHBondContact N-O 3.33Å; F376-G516 PolarHBondContact O-N 2.82Å; F376-M518 HydrophobicContact CD2-CG 4.31Å; F376-M518 HydrophobicContact CE2-CB 3.98Å; F376-M518 HydrophobicContact CE2-CE 4.41Å; F376-M518 HydrophobicContact CE2-CG 3.71Å; F376-M518 HydrophobicContact CE2-SD 3.84Å; F376-M518 HydrophobicContact CZ-CE 4.46Å; F376-M518 HydrophobicContact CZ-CG 4.43Å; F376-M518 HydrophobicContact CZ-SD 3.96Å; F376-L544 HydrophobicContact CB-CD2 4.31Å; F376-L544 HydrophobicContact CD1-CD2 3.43Å; F376-L544 VanDerWaalsContact CD1-CD2 3.43Å; F376-L544 HydrophobicContact CD2-CD2 4.16Å; F376-L544 HydrophobicContact CE1-CD2 3.61Å; F376-L544 HydrophobicContact CE2-CD2 4.32Å; F376-L544 HydrophobicContact CG-CD2 3.71Å; F376-L544 HydrophobicContact CZ-CD2 4.07Å
377	L	91.9	Very high	88.7	Confident	72 Å²	72	44.9 Å²	44.9	38%	0.377	23%	0.234	S	C	.	.			trans	-77.1	-32.4	-167.8	-63.5	168.7	0	0	0	113.2	T375 S381 Q515 D543 Q545 W570	T375-L377 HydrophobicContact CG2-CD2 3.85Å; T375-L377 HydrophobicContact CG2-CG 4.49Å; L377-S381 PolarHBondContact N-OG 2.95Å; L377-Q515 PolarHBondContact O-NE2 3.01Å; L377-Q515 VanDerWaalsContact O-NE2 3.11Å; L377-D543 WeakPolarHBondContact CB-O 3.45Å; L377-D543 PolarHBondContact N-O 2.82Å; L377-Q545 HydrophobicContact CD1-CB 4.34Å; L377-Q545 HydrophobicContact CD2-CB 4.36Å; L377-Q545 HydrophobicContact CG-CB 4.47Å; L377-W570 PolarHBondContact O-NE1 3.48Å
378	S	91.7	Very high	88.4	Confident	23 Å²	23	44.7 Å²	44.7	16%	0.161	23%	0.233	C	C	.	.	S	Bend	trans	-135.7	161.6	-170.5	91.3	0	0	0	0	111.8	R380 S381 D543	S378-R380 PolarHBondContact O-N 3.01Å; S378-R380 PolarHBondContact OG-N 2.87Å; S378-R380 VanDerWaalsContact OG-N 3.08Å; S378-S381 PolarHBondContact N-OG 2.85Å; S378-S381 WeakPolarHBondContact O-CB 3.38Å; S378-S381 PolarHBondContact O-N 2.87Å; S378-S381 PolarHBondContact O-OG 2.85Å; S378-S381 PolarHBondContact OG-N 3.21Å; S378-D543 PolarHBondContact OG-OD2 2.86Å
379	P	90.7	Very high	88	Confident	73 Å²	73	41.9 Å²	41.9	47%	0.474	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-6.4	172.7	-20.7	33.9	0	0	0	114	G513 Q515	P379-G513 WeakPolarHBondContact O-CA 3.23Å; P379-G513 PolarHBondContact O-N 3.21Å; P379-G513 VanDerWaalsContact O-N 3.08Å; P379-Q515 HydrophobicContact CG-CG 4.39Å
380	R	91.2	Very high	87.7	Confident	183 Å²	183	50.3 Å²	50.3	69%	0.691	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-4.4	174.1	-51	-177.8	-159.6	174	6.9	112	S378 Y382	S378-R380 PolarHBondContact O-N 3.01Å; S378-R380 PolarHBondContact OG-N 2.87Å; S378-R380 VanDerWaalsContact OG-N 3.08Å; R380-Y382 WeakPolarHBondContact O-CD1 3.43Å; R380-Y382 PolarHBondContact O-N 2.92Å
381	S	94.3	Very high	87.4	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.23	C	C	.	.			trans	-61.2	135.2	177.6	-65.2	0	0	0	0	110.8	L377 S378 G496 G497 S542 D543	L377-S381 PolarHBondContact N-OG 2.95Å; S378-S381 PolarHBondContact N-OG 2.85Å; S378-S381 WeakPolarHBondContact O-CB 3.38Å; S378-S381 PolarHBondContact O-N 2.87Å; S378-S381 PolarHBondContact O-OG 2.85Å; S378-S381 PolarHBondContact OG-N 3.21Å; S381-G496 CarbonylContact O-C 3.36Å; S381-G497 WeakPolarHBondContact O-CA 3.32Å; S381-G497 PolarHBondContact O-N 2.81Å; S381-S542 VanDerWaalsContact CA-O 3.3Å; S381-S542 WeakPolarHBondContact CA-O 3.08Å; S381-D543 WeakPolarHBondContact OG-CB 3.47Å; S381-D543 PolarHBondContact OG-O 2.87Å
382	Y	94.7	Very high	86.8	Confident	24 Å²	24	50.6 Å²	50.6	9%	0.094	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	155	175.2	67.9	-103.2	0	0	0	111.2	R380 V384 F495 G497 P499 F541 S542	R380-Y382 WeakPolarHBondContact O-CD1 3.43Å; R380-Y382 PolarHBondContact O-N 2.92Å; Y382-V384 HydrophobicContact CD2-CG2 3.55Å; Y382-V384 HydrophobicContact CE2-CG2 3.71Å; Y382-F495 WeakPolarHBondContact CA-O 3.42Å; Y382-G497 WeakPolarHBondContact CB-O 3.42Å; Y382-P499 HydrophobicContact CD1-CB 4.43Å; Y382-P499 HydrophobicContact CD1-CG 4.3Å; Y382-P499 HydrophobicContact CD2-CG 4.09Å; Y382-P499 HydrophobicContact CE1-CB 3.93Å; Y382-P499 HydrophobicContact CE1-CG 4.08Å; Y382-P499 HydrophobicContact CE2-CB 4.47Å; Y382-P499 HydrophobicContact CE2-CG 3.89Å; Y382-P499 HydrophobicContact CG-CG 4.3Å; Y382-F541 VanDerWaalsContact O-CA 3.25Å; Y382-F541 WeakPolarHBondContact O-CA 3.44Å; Y382-F541 WeakPolarHBondContact O-CB 3.12Å; Y382-S542 PolarHBondContact N-O 2.81Å; Y382-S542 PolarHBondContact O-N 2.72Å; Y382-S542 VanDerWaalsContact O-N 3.11Å
383	L	95.9	Very high	86.3	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	118.7	167.3	173.1	60.9	0	0	0	109.4	L374 F376 L385 Y494 F495 I521 V533 F541 L544	L374-L383 HydrophobicContact CD1-CD2 3.61Å; F376-L383 HydrophobicContact CE1-CB 4.42Å; F376-L383 HydrophobicContact CZ-CB 4.29Å; L383-L385 HydrophobicContact CD1-CD2 4.1Å; L383-L385 HydrophobicContact CD1-CG 4.17Å; L383-L385 HydrophobicContact CD2-CD1 3.89Å; L383-L385 HydrophobicContact CD2-CG 4.19Å; L383-L385 HydrophobicContact CG-CD1 4.12Å; L383-L385 HydrophobicContact CG-CD2 4.35Å; L383-L385 HydrophobicContact CG-CG 3.91Å; L383-Y494 CarbonylContact O-C 3.59Å; L383-Y494 WeakPolarHBondContact O-CA 3.48Å; L383-F495 HydrophobicContact CB-CB 4.16Å; L383-F495 PolarHBondContact N-O 2.93Å; L383-F495 PolarHBondContact O-N 3.09Å; L383-I521 HydrophobicContact CD2-CD1 4.07Å; L383-V533 HydrophobicContact CD1-CG1 3.79Å; L383-F541 HydrophobicContact CD1-CB 4.14Å; L383-L544 HydrophobicContact CB-CD1 3.85Å; L383-L544 HydrophobicContact CD1-CD1 4.38Å
384	V	94.5	Very high	85.8	Confident	21 Å²	21	50.3 Å²	50.3	13%	0.127	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	119.5	176.9	-171.4	0	0	0	0	108.8	Y382 V492 F493 Y494 P499 G539 N540	Y382-V384 HydrophobicContact CD2-CG2 3.55Å; Y382-V384 HydrophobicContact CE2-CG2 3.71Å; V384-V492 HydrophobicContact CG1-CG1 3.21Å; V384-F493 WeakPolarHBondContact CA-O 3.4Å; V384-Y494 HydrophobicContact CG1-CD1 4.32Å; V384-Y494 HydrophobicContact CG1-CE1 4.06Å; V384-Y494 HydrophobicContact CG2-CD1 3.7Å; V384-Y494 HydrophobicContact CG2-CE1 3.79Å; V384-P499 HydrophobicContact CG2-CG 3.99Å; V384-G539 CarbonylContact O-C 3.48Å; V384-G539 WeakPolarHBondContact O-CA 3.48Å; V384-N540 HydrophobicContact CB-CB 4.34Å; V384-N540 WeakPolarHBondContact CB-O 3.47Å; V384-N540 PolarHBondContact N-O 2.8Å; V384-N540 PolarHBondContact O-N 2.89Å
385	L	94.4	Very high	85.6	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	134.8	179.2	-69	169.3	0	0	0	110.8	L383 V492 F493 F495 I521 I523 V528 V533 L538	L383-L385 HydrophobicContact CD1-CD2 4.1Å; L383-L385 HydrophobicContact CD1-CG 4.17Å; L383-L385 HydrophobicContact CD2-CD1 3.89Å; L383-L385 HydrophobicContact CD2-CG 4.19Å; L383-L385 HydrophobicContact CG-CD1 4.12Å; L383-L385 HydrophobicContact CG-CD2 4.35Å; L383-L385 HydrophobicContact CG-CG 3.91Å; L385-V492 WeakPolarHBondContact O-CA 3.38Å; L385-F493 PolarHBondContact N-O 2.78Å; L385-F493 PolarHBondContact O-N 2.82Å; L385-F495 HydrophobicContact CD1-CD2 4.05Å; L385-F495 HydrophobicContact CD1-CE2 3.88Å; L385-I521 HydrophobicContact CD1-CG2 4.27Å; L385-I523 HydrophobicContact CB-CD1 3.66Å; L385-I523 HydrophobicContact CD1-CD1 3.88Å; L385-I523 HydrophobicContact CG-CD1 4.44Å; L385-V528 HydrophobicContact CD1-CB 4.41Å; L385-V528 HydrophobicContact CD1-CG1 3.82Å; L385-V528 HydrophobicContact CD1-CG2 3.85Å; L385-V528 HydrophobicContact CD2-CG1 3.82Å; L385-V528 HydrophobicContact CG-CG1 4.48Å; L385-V533 HydrophobicContact CD2-CG2 3.96Å; L385-L538 HydrophobicContact CD2-CD2 4.35Å; L385-L538 HydrophobicContact CD2-CG 4.21Å
386	P	90	Very high	85.5	Confident	75 Å²	75	51.1 Å²	51.1	49%	0.487	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	148.7	173.7	31.4	-34.1	0	0	0	110.5	G491 L538	P386-G491 WeakPolarHBondContact CA-O 3.12Å; P386-L538 HydrophobicContact CG-CD1 3.63Å
387	A	82	Confident	85.5	Confident	18 Å²	18	52.8 Å²	52.8	15%	0.149	28%	0.278	C	S	.	.			trans	-130.2	151	172.6	0	0	0	0	0	111.6	T389 G491 F493 I523	A387-T389 PolarHBondContact O-N 2.89Å; A387-G491 PolarHBondContact N-O 3.11Å; A387-F493 HydrophobicContact CB-CD2 3.5Å; A387-F493 VanDerWaalsContact CB-CD2 3.5Å; A387-F493 HydrophobicContact CB-CE2 3.32Å; A387-I523 HydrophobicContact CB-CG2 3.97Å
388	S	74.3	Confident	85.7	Confident	62 Å²	62	49.5 Å²	49.5	43%	0.434	26%	0.261	S	S	.	.			trans	-66.4	129.8	174.2	-179.3	0	0	0	0	110.1	K390	S388-K390 VanDerWaalsContact C-N 3.28Å; S388-K390 PolarHBondContact O-N 2.58Å; S388-K390 PolarHBondContact OG-N 3.39Å
389	T	66.3	Low	86	Confident	62 Å²	62	50.1 Å²	50.1	38%	0.38	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-6.9	177.4	53.3	0	0	0	0	113.5	A387 E391	A387-T389 PolarHBondContact O-N 2.89Å; T389-E391 VanDerWaalsContact C-N 3.31Å; T389-E391 PolarHBondContact O-N 2.88Å
390	K	65.7	Low	86.3	Confident	190 Å²	190	46.6 Å²	46.6	83%	0.826	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	2.1	-174.4	-66.7	-170.1	179	-176.5	0	114.8	S388	S388-K390 VanDerWaalsContact C-N 3.28Å; S388-K390 PolarHBondContact O-N 2.58Å; S388-K390 PolarHBondContact OG-N 3.39Å
391	E	66.7	Low	86.6	Confident	70 Å²	70	38.1 Å²	38.1	33%	0.327	21%	0.206	S	C	.	.			trans	-96.8	133.1	-174.5	-69.5	-175.7	-134.4	0	0	112.6	T389 A393 N524	T389-E391 VanDerWaalsContact C-N 3.31Å; T389-E391 PolarHBondContact O-N 2.88Å; E391-A393 PolarHBondContact O-N 2.87Å; E391-N524 VanDerWaalsContact CD-CB 3.41Å; E391-N524 WeakPolarHBondContact OE1-CB 3.11Å; E391-N524 VanDerWaalsContact OE1-CG 3.32Å; E391-N524 PolarHBondContact OE1-ND2 3.48Å; E391-N524 WeakPolarHBondContact OE2-CB 3.27Å; E391-N524 PolarHBondContact OE2-ND2 3.3Å; E391-N524 VanDerWaalsContact OE2-ND2 3.09Å
392	E	68.2	Low	86.8	Confident	156 Å²	156	38.1 Å²	38.1	73%	0.729	21%	0.206	S	C	*	.	S	Bend	trans	-75.2	-7	178.4	-61	-173.3	159.1	0	0	113.4
393	A	77.7	Confident	86.9	Confident	25 Å²	25	38.2 Å²	38.2	21%	0.207	21%	0.206	C	C	.	.	S	Bend	trans	-134.6	142.1	-177.3	0	0	0	0	0	109.7	E391 K463	E391-A393 PolarHBondContact O-N 2.87Å; A393-K463 HydrophobicContact CB-CD 4.37Å; A393-K463 HydrophobicContact CB-CG 3.71Å
394	I	83.6	Confident	86.9	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	119.6	168.8	-65.4	175.1	0	0	0	107.2	L414 L421 S461 A462 V487 F493	I394-L414 HydrophobicContact CD1-CD2 3.36Å; I394-L421 HydrophobicContact CG2-CD2 3.95Å; I394-S461 CarbonylContact O-C 3.59Å; I394-S461 WeakPolarHBondContact O-CA 3.27Å; I394-A462 HydrophobicContact CB-CB 4.33Å; I394-A462 PolarHBondContact N-O 2.96Å; I394-A462 PolarHBondContact O-N 2.75Å; I394-V487 HydrophobicContact CD1-CG1 3.89Å; I394-V487 HydrophobicContact CG1-CG1 4.45Å; I394-F493 HydrophobicContact CG2-CE1 3.81Å; I394-F493 HydrophobicContact CG2-CZ 3.65Å
395	S	90.4	Very high	86.9	Confident	16 Å²	16	45.1 Å²	45.1	11%	0.112	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	142.6	166	72.6	0	0	0	0	111.4	L460 N524 N525	S395-L460 WeakPolarHBondContact CA-O 3.39Å; S395-N524 PolarHBondContact N-OD1 3.11Å; S395-N524 PolarHBondContact O-N 2.86Å; S395-N524 PolarHBondContact O-OD1 3.46Å; S395-N524 VanDerWaalsContact OG-CA 3.25Å; S395-N524 WeakPolarHBondContact OG-CA 3.37Å; S395-N525 PolarHBondContact OG-OD1 2.89Å
396	A	94.1	Very high	87	Confident	1 Å²	1	47 Å²	47	1%	0.008	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	139.2	170.1	0	0	0	0	0	108.4	L410 L460 F493 S522	A396-L410 HydrophobicContact CB-CD2 3.8Å; A396-L460 HydrophobicContact CB-CD1 3.98Å; A396-L460 HydrophobicContact CB-CG 4.16Å; A396-L460 PolarHBondContact N-O 2.87Å; A396-L460 VanDerWaalsContact N-O 3.14Å; A396-L460 PolarHBondContact O-N 2.95Å; A396-F493 HydrophobicContact CB-CE1 4.38Å; A396-S522 CarbonylContact C-O 3.58Å; A396-S522 VanDerWaalsContact CA-O 3.32Å; A396-S522 WeakPolarHBondContact CA-O 3.48Å
397	S	96.4	Very high	87.3	Confident	34 Å²	34	43.5 Å²	43.5	24%	0.238	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	149.4	169.5	66.3	0	0	0	0	110.9	V458 I521 S522	S397-V458 CarbonylContact C-O 3.47Å; S397-V458 WeakPolarHBondContact CA-O 3.19Å; S397-V458 VanDerWaalsContact CB-O 3.28Å; S397-V458 WeakPolarHBondContact CB-O 3.24Å; S397-I521 CarbonylContact O-C 3.46Å; S397-I521 WeakPolarHBondContact O-CA 3.26Å; S397-S522 PolarHBondContact N-O 2.89Å; S397-S522 PolarHBondContact O-N 3.16Å; S397-S522 PolarHBondContact OG-OG 3.16Å
398	F	97.6	Very high	88	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.018	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	165.7	178.6	55.4	-86.5	0	0	0	109.4	F400 L409 L423 V458 F495 M518 I521	F398-F400 HydrophobicContact CD2-CB 4.21Å; F398-F400 HydrophobicContact CD2-CD1 4.47Å; F398-F400 HydrophobicContact CE2-CB 4.16Å; F398-F400 AromaticContact CE2-CD1 3.96Å; F398-F400 HydrophobicContact CE2-CD1 3.96Å; F398-F400 HydrophobicContact CE2-CG 4.35Å; F398-L409 HydrophobicContact CE2-CD1 4.42Å; F398-L409 HydrophobicContact CZ-CB 4.13Å; F398-L409 HydrophobicContact CZ-CD1 4.38Å; F398-L423 HydrophobicContact CE1-CD2 4.21Å; F398-L423 HydrophobicContact CZ-CD2 3.77Å; F398-V458 HydrophobicContact CE1-CB 4.44Å; F398-V458 HydrophobicContact CE1-CG1 4.38Å; F398-V458 HydrophobicContact CE2-CB 4.26Å; F398-V458 HydrophobicContact CE2-CG2 4.3Å; F398-V458 HydrophobicContact CZ-CB 4.19Å; F398-V458 HydrophobicContact CZ-CG1 4.22Å; F398-V458 PolarHBondContact N-O 2.83Å; F398-V458 PolarHBondContact O-N 2.85Å; F398-F495 HydrophobicContact CD1-CD1 4.44Å; F398-F495 AromaticContact CD1-CE1 3.77Å; F398-F495 HydrophobicContact CD1-CE1 3.77Å; F398-F495 HydrophobicContact CE1-CE1 4.07Å; F398-F495 HydrophobicContact CG-CE1 4.41Å; F398-M518 HydrophobicContact CD2-SD 4.21Å; F398-M518 HydrophobicContact CE2-CE 4.33Å; F398-M518 HydrophobicContact CE2-SD 4.34Å; F398-I521 HydrophobicContact CB-CB 4.45Å; F398-I521 HydrophobicContact CB-CG1 4Å
399	Q	97.3	Very high	89	Confident	35 Å²	35	39.7 Å²	39.7	16%	0.164	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	143.5	164.6	-73.5	-177.1	-12.1	0	0	110	W455 H456 S457 M518 R519 L520	Q399-W455 HydrophobicContact CB-CE3 3.91Å; Q399-W455 HydrophobicContact CB-CZ3 4.33Å; Q399-H456 CarbonylContact C-O 3.56Å; Q399-H456 WeakPolarHBondContact CA-O 3.24Å; Q399-S457 WeakPolarHBondContact CG-OG 3.27Å; Q399-S457 PolarHBondContact NE2-OG 3.37Å; Q399-M518 CarbonylContact O-C 3.54Å; Q399-M518 WeakPolarHBondContact O-CA 3.49Å; Q399-R519 HydrophobicContact CB-CG 3.86Å; Q399-R519 PolarHBondContact N-O 2.67Å; Q399-R519 PolarHBondContact O-N 2.77Å; Q399-L520 HydrophobicContact CG-CD1 4.25Å
400	F	98	Very high	90.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	154.8	173.2	80.9	-79.5	0	0	0	112.3	F398 T402 L409 L425 L430 L450 H456 V458 F514 C517 M518	F398-F400 HydrophobicContact CD2-CB 4.21Å; F398-F400 HydrophobicContact CD2-CD1 4.47Å; F398-F400 HydrophobicContact CE2-CB 4.16Å; F398-F400 AromaticContact CE2-CD1 3.96Å; F398-F400 HydrophobicContact CE2-CD1 3.96Å; F398-F400 HydrophobicContact CE2-CG 4.35Å; F400-T402 HydrophobicContact CD2-CG2 4.24Å; F400-T402 HydrophobicContact CE2-CG2 4.05Å; F400-L409 HydrophobicContact CD1-CD1 4.27Å; F400-L409 HydrophobicContact CD2-CD2 4.21Å; F400-L409 HydrophobicContact CE1-CD1 4.06Å; F400-L409 HydrophobicContact CE2-CD1 4.33Å; F400-L409 HydrophobicContact CG-CD2 4.4Å; F400-L409 HydrophobicContact CZ-CD1 4.08Å; F400-L425 HydrophobicContact CE2-CD2 4.35Å; F400-L430 HydrophobicContact CE1-CD1 4.34Å; F400-L430 HydrophobicContact CE1-CD2 4.32Å; F400-L430 HydrophobicContact CZ-CD2 4.09Å; F400-L450 HydrophobicContact CZ-CB 4.04Å; F400-L450 HydrophobicContact CZ-CD1 4.31Å; F400-H456 HydrophobicContact CD1-CB 4.34Å; F400-H456 HydrophobicContact CE1-CB 3.96Å; F400-H456 HydrophobicContact CZ-CB 4.38Å; F400-H456 PolarHBondContact N-O 2.95Å; F400-H456 PolarHBondContact O-N 3.46Å; F400-V458 HydrophobicContact CD1-CG2 3.59Å; F400-V458 HydrophobicContact CE1-CG2 3.42Å; F400-V458 VanDerWaalsContact CE1-CG2 3.42Å; F400-F514 HydrophobicContact CB-CZ 4.12Å; F400-F514 AromaticContact CD2-CE2 3.77Å; F400-F514 HydrophobicContact CD2-CE2 3.77Å; F400-F514 HydrophobicContact CD2-CZ 4.13Å; F400-C517 CarbonylContact C-O 3.54Å; F400-C517 WeakPolarHBondContact CA-O 3.44Å; F400-C517 WeakPolarHBondContact CB-O 3.44Å; F400-M518 HydrophobicContact CB-CG 4.08Å
401	R	97.3	Very high	91.7	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.015	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	142.7	167.4	65.9	177.1	179.1	179.8	9.1	111.3	D270 G453 Q454 W455 G516 C517 C549 I551	D270-R401 IonicContact OD1-NH1 3.02Å; D270-R401 PolarHBondContact OD1-NH1 3.22Å; D270-R401 IonicContact OD2-NH1 3.56Å; R401-G453 WeakPolarHBondContact CD-O 3.2Å; R401-Q454 WeakPolarHBondContact CA-O 3.25Å; R401-Q454 WeakPolarHBondContact CB-O 3.42Å; R401-W455 HydrophobicContact CB-CD2 4.13Å; R401-W455 HydrophobicContact CB-CE3 4.08Å; R401-W455 HydrophobicContact CB-CG 4.47Å; R401-W455 VanDerWaalsContact CD-CE2 3.45Å; R401-W455 HydrophobicContact CG-CD2 3.88Å; R401-W455 HydrophobicContact CG-CE3 3.96Å; R401-W455 HydrophobicContact CG-CH2 4.12Å; R401-W455 HydrophobicContact CG-CZ2 4.01Å; R401-W455 HydrophobicContact CG-CZ3 4.08Å; R401-G516 WeakPolarHBondContact O-CA 3.45Å; R401-C517 HydrophobicContact CG-CB 4.06Å; R401-C517 PolarHBondContact N-O 2.59Å; R401-C517 PolarHBondContact O-N 2.91Å; R401-C549 PolarHBondContact NE-SG 2.91Å; R401-C549 PolarHBondContact NH2-SG 3.33Å; R401-I551 HydrophobicContact CG-CD1 4.19Å
402	T	97.7	Very high	92.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.13	C	C	.	.			trans	-159.4	160	-178.6	-174.6	0	0	0	0	111.3	F400 N404 L425 G451 G453 F514 Q515	F400-T402 HydrophobicContact CD2-CG2 4.24Å; F400-T402 HydrophobicContact CE2-CG2 4.05Å; T402-N404 WeakPolarHBondContact CG2-O 3.41Å; T402-N404 PolarHBondContact OG1-N 2.78Å; T402-L425 HydrophobicContact CG2-CD2 3.71Å; T402-G451 CarbonylContact O-C 3.56Å; T402-G451 VanDerWaalsContact O-CA 3.3Å; T402-G451 WeakPolarHBondContact O-CA 3.29Å; T402-G453 PolarHBondContact O-N 2.9Å; T402-F514 HydrophobicContact CG2-CE2 3.89Å; T402-Q515 WeakPolarHBondContact CB-O 3.27Å; T402-Q515 PolarHBondContact OG1-O 2.98Å
403	W	96.4	Very high	93.6	Very high	26 Å²	26	19.8 Å²	19.8	10%	0.098	11%	0.107	C	C	.	.	S	Bend	trans	-95.8	-8.4	165.7	-64.9	123.6	0	0	0	112.8	L268 D452 I551 S552 D553 Q568	L268-W403 HydrophobicContact CD2-CZ2 4.43Å; W403-D452 WeakPolarHBondContact CH2-O 3.12Å; W403-D452 WeakPolarHBondContact CZ3-O 3.4Å; W403-I551 HydrophobicContact CG-CD1 4.4Å; W403-S552 PolarHBondContact NE1-O 2.9Å; W403-D553 HydrophobicContact CZ2-CB 3.98Å; W403-Q568 HydrophobicContact CB-CG 4.27Å; W403-Q568 HydrophobicContact CD2-CG 3.85Å; W403-Q568 HydrophobicContact CE3-CG 3.87Å; W403-Q568 HydrophobicContact CG-CG 4.03Å; W403-Q568 HydrophobicContact CZ3-CG 4.46Å
404	N	96.6	Very high	93.7	Very high	25 Å²	25	19.2 Å²	19.2	13%	0.134	10%	0.1	C	C	.	.			trans	-81.2	141.5	-178.5	-72.1	-4.3	0	0	0	110.7	T402 L425 Q515 W570	T402-N404 WeakPolarHBondContact CG2-O 3.41Å; T402-N404 PolarHBondContact OG1-N 2.78Å; N404-L425 WeakPolarHBondContact O-CD2 3.46Å; N404-Q515 PolarHBondContact ND2-OE1 3.42Å; N404-W570 VanDerWaalsContact OD1-CB 3.31Å; N404-W570 WeakPolarHBondContact OD1-CB 3.38Å; N404-W570 PolarHBondContact OD1-N 2.69Å
405	K	95.2	Very high	92.9	Very high	142 Å²	142	24.6 Å²	24.6	62%	0.617	13%	0.125	S	C	*	.	S	Bend	trans	-86.2	-9.1	174.6	-64.4	-176.4	179.8	-179.5	0	113.7	S426 D427 G428	K405-S426 CarbonylContact O-C 3.59Å; K405-D427 PolarHBondContact O-N 3.27Å; K405-G428 PolarHBondContact O-N 3.42Å
406	A	96	Very high	91.5	Very high	42 Å²	42	29.2 Å²	29.2	35%	0.347	15%	0.148	S	C	.	.			trans	-142.5	149.2	-178.2	0	0	0	0	0	111.9	L425 L511	A406-L425 CarbonylContact C-O 3.52Å; A406-L425 WeakPolarHBondContact CA-O 3.34Å; A406-L511 HydrophobicContact CB-CB 4.44Å; A406-L511 HydrophobicContact CB-CD1 4.37Å
407	G	95.5	Very high	89.9	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161	157.9	173.4	0	0	0	0	0	113.4	L425	G407-L425 PolarHBondContact N-O 2.86Å; G407-L425 PolarHBondContact O-N 3.34Å
408	L	96.1	Very high	88.6	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	118.9	173.5	175.2	58.1	0	0	0	111.4	L410 F411 L422 L424 G496 S509 G512 F514	L408-L410 WeakPolarHBondContact CD1-O 3.21Å; L408-F411 HydrophobicContact CD1-CB 4.37Å; L408-F411 HydrophobicContact CD2-CB 4.43Å; L408-L422 HydrophobicContact CD1-CD1 3.35Å; L408-L422 HydrophobicContact CD1-CG 4.45Å; L408-L424 HydrophobicContact CB-CD2 4.38Å; L408-L424 HydrophobicContact CD1-CD2 4.06Å; L408-G496 CarbonylContact O-C 3.5Å; L408-G496 WeakPolarHBondContact O-CA 3.08Å; L408-S509 WeakPolarHBondContact CB-OG 3.44Å; L408-G512 PolarHBondContact N-O 3.03Å; L408-F514 WeakPolarHBondContact O-CB 3.28Å
409	L	97	Very high	87.8	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-45.6	174.9	-65	-179.8	0	0	0	112.6	F398 F400 L423 L430 F495 G496 F514 M518	F398-L409 HydrophobicContact CE2-CD1 4.42Å; F398-L409 HydrophobicContact CZ-CB 4.13Å; F398-L409 HydrophobicContact CZ-CD1 4.38Å; F400-L409 HydrophobicContact CD1-CD1 4.27Å; F400-L409 HydrophobicContact CD2-CD2 4.21Å; F400-L409 HydrophobicContact CE1-CD1 4.06Å; F400-L409 HydrophobicContact CE2-CD1 4.33Å; F400-L409 HydrophobicContact CG-CD2 4.4Å; F400-L409 HydrophobicContact CZ-CD1 4.08Å; L409-L423 HydrophobicContact CB-CD2 3.97Å; L409-L423 HydrophobicContact CB-CG 4.27Å; L409-L423 HydrophobicContact CD1-CD2 4.09Å; L409-L423 HydrophobicContact CD1-CG 4.45Å; L409-L423 PolarHBondContact N-O 3.22Å; L409-L430 HydrophobicContact CD1-CD2 3.35Å; L409-F495 VanDerWaalsContact O-CA 3.32Å; L409-F495 WeakPolarHBondContact O-CA 3.19Å; L409-G496 PolarHBondContact O-N 2.89Å; L409-F514 HydrophobicContact CD2-CB 4.18Å; L409-F514 HydrophobicContact CD2-CD1 4.47Å; L409-F514 HydrophobicContact CD2-CD2 3.27Å; L409-F514 HydrophobicContact CD2-CE2 3.61Å; L409-F514 HydrophobicContact CD2-CG 3.75Å; L409-F514 HydrophobicContact CD2-CZ 4.35Å; L409-M518 HydrophobicContact CB-CE 4.33Å; L409-M518 HydrophobicContact CD2-CE 3.63Å
410	L	95.7	Very high	87.3	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	138.7	-177.5	-171.7	66.8	0	0	0	111.7	A396 L408 L423 L460 F493 Y494 F495	A396-L410 HydrophobicContact CB-CD2 3.8Å; L408-L410 WeakPolarHBondContact CD1-O 3.21Å; L410-L423 HydrophobicContact CB-CB 3.88Å; L410-L423 HydrophobicContact CB-CD2 4.45Å; L410-L423 PolarHBondContact N-O 2.82Å; L410-L423 PolarHBondContact O-N 2.8Å; L410-L460 HydrophobicContact CD2-CD1 4.34Å; L410-L460 HydrophobicContact CD2-CD2 3.69Å; L410-L460 HydrophobicContact CD2-CG 4.47Å; L410-F493 HydrophobicContact CD1-CB 4.14Å; L410-F493 HydrophobicContact CD1-CD1 3.78Å; L410-F493 HydrophobicContact CD1-CG 4.46Å; L410-F493 HydrophobicContact CD2-CD1 4.05Å; L410-F493 HydrophobicContact CD2-CE1 4.33Å; L410-F493 HydrophobicContact CG-CD1 4.22Å; L410-Y494 CarbonylContact C-O 3.55Å; L410-Y494 VanDerWaalsContact CA-O 3.28Å; L410-Y494 WeakPolarHBondContact CA-O 3.24Å; L410-Y494 WeakPolarHBondContact CD1-O 3.49Å; L410-F495 HydrophobicContact CD1-CD1 3.74Å; L410-F495 HydrophobicContact CD1-CD2 3.85Å; L410-F495 HydrophobicContact CD1-CE1 3.54Å; L410-F495 HydrophobicContact CD1-CE2 3.65Å; L410-F495 HydrophobicContact CD1-CG 3.89Å; L410-F495 HydrophobicContact CD1-CZ 3.5Å; L410-F495 VanDerWaalsContact CD1-CZ 3.5Å
411	F	92.9	Very high	86.9	Confident	8 Å²	8	33.6 Å²	33.6	4%	0.035	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	139.3	165.6	173.6	-90.7	0	0	0	110.4	L408 E413 S420 L421 L422 Y494 C507	L408-F411 HydrophobicContact CD1-CB 4.37Å; L408-F411 HydrophobicContact CD2-CB 4.43Å; F411-E413 HydrophobicContact CE1-CG 3.5Å; F411-E413 VanDerWaalsContact CE1-CG 3.5Å; F411-E413 HydrophobicContact CZ-CG 3.74Å; F411-S420 VanDerWaalsContact CE2-CB 3.41Å; F411-L421 CarbonylContact C-O 3.52Å; F411-L421 WeakPolarHBondContact CA-O 3.38Å; F411-L422 HydrophobicContact CB-CD1 4.28Å; F411-L422 HydrophobicContact CD2-CD1 3.91Å; F411-Y494 AromaticContact CD1-CD2 3.58Å; F411-Y494 HydrophobicContact CD1-CD2 3.58Å; F411-Y494 HydrophobicContact CD1-CE2 4.1Å; F411-Y494 HydrophobicContact CD1-CG 4.23Å; F411-Y494 HydrophobicContact CE1-CD2 4.23Å; F411-Y494 HydrophobicContact CE1-CE2 4.3Å; F411-Y494 PolarHBondContact N-O 2.98Å; F411-Y494 PolarHBondContact O-N 2.05Å; F411-C507 HydrophobicContact CD1-CB 3.56Å; F411-C507 WeakPolarHBondContact CD1-SG 3.14Å; F411-C507 HydrophobicContact CE1-CB 3.53Å; F411-C507 HydrophobicContact CG-CB 4.29Å; F411-C507 HydrophobicContact CZ-CB 4.23Å
412	S	89.8	Confident	86.6	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	136.2	169.1	-168.4	0	0	0	0	109.8	S420 L421 S489 V492	S412-S420 CarbonylContact O-C 3.47Å; S412-S420 WeakPolarHBondContact O-CA 3.37Å; S412-L421 PolarHBondContact N-O 3.3Å; S412-L421 PolarHBondContact O-N 2.79Å; S412-S489 PolarHBondContact OG-OG 3.35Å; S412-V492 PolarHBondContact OG-O 3.06Å
413	E	84.2	Confident	86.5	Confident	50 Å²	50	33.8 Å²	33.8	23%	0.234	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	157	172.2	-60.6	-170.4	-170.7	0	0	110	F411 G490 K506	F411-E413 HydrophobicContact CE1-CG 3.5Å; F411-E413 VanDerWaalsContact CE1-CG 3.5Å; F411-E413 HydrophobicContact CZ-CG 3.74Å; E413-G490 VanDerWaalsContact O-CA 3.29Å; E413-G490 WeakPolarHBondContact O-CA 3.04Å; E413-G490 PolarHBondContact O-N 3.21Å; E413-K506 WeakPolarHBondContact OE1-CA 3.39Å; E413-K506 VanDerWaalsContact OE1-CB 3.26Å; E413-K506 WeakPolarHBondContact OE1-CB 3.43Å; E413-K506 PolarHBondContact OE1-N 2.8Å
414	L	79.1	Confident	86.4	Confident	13 Å²	13	33.2 Å²	33.2	7%	0.068	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	133.2	173	-59	174.6	0	0	0	109	I394 V417 G419 L434 V487	I394-L414 HydrophobicContact CD1-CD2 3.36Å; L414-V417 VanDerWaalsContact O-O 3.05Å; L414-G419 PolarHBondContact N-O 2.74Å; L414-L434 HydrophobicContact CD1-CD1 3.62Å; L414-V487 HydrophobicContact CD2-CG1 3.78Å
415	Q	68	Low	86.4	Confident	115 Å²	115	32 Å²	32	54%	0.537	18%	0.176	S	C	.	.	S	Bend	trans	-72.1	-50.8	-174.5	-88.4	-160.9	-23.8	0	0	113.8	N488 S489	Q415-N488 PolarHBondContact N-O 3.19Å; Q415-N488 VanDerWaalsContact N-O 3.13Å; Q415-S489 WeakPolarHBondContact CG-O 3.22Å
416	L	61.6	Low	86.4	Confident	112 Å²	112	27.6 Å²	27.6	59%	0.586	16%	0.164	S	C	*	.	S	Bend	trans	-80	-21.1	-168.6	-90.6	119.7	0	0	0	114.2	N488	L416-N488 HydrophobicContact CD1-CB 4.1Å
417	V	59.8	Low	86.3	Confident	36 Å²	36	31.3 Å²	31.3	22%	0.218	18%	0.178	C	C	.	.	S	Bend	trans	-132.8	122.2	-171.8	-171.9	0	0	0	0	102.8	L414 G419 Q436 P484	L414-V417 VanDerWaalsContact O-O 3.05Å; V417-G419 PolarHBondContact O-N 2.82Å; V417-Q436 HydrophobicContact CG1-CG 4.36Å; V417-P484 HydrophobicContact CG1-CG 4.47Å; V417-P484 HydrophobicContact CG2-CB 3.86Å; V417-P484 HydrophobicContact CG2-CG 3.59Å
418	S	70	Confident	86.3	Confident	99 Å²	99	31.5 Å²	31.5	69%	0.692	18%	0.179	S	C	*	.	S	Bend	trans	-65.2	55.2	-174.8	-52.9	0	0	0	0	113.7	P437	S418-P437 WeakPolarHBondContact O-CD 3.24Å; S418-P437 WeakPolarHBondContact O-CG 3.38Å
419	G	80	Confident	86.3	Confident	9 Å²	9	36.2 Å²	36.2	9%	0.093	20%	0.2	C	C	.	.			trans	-125.2	-179.6	-170.6	0	0	0	0	0	111.2	L414 V417 Y435	L414-G419 PolarHBondContact N-O 2.74Å; V417-G419 PolarHBondContact O-N 2.82Å; G419-Y435 CarbonylContact C-O 3.6Å; G419-Y435 WeakPolarHBondContact CA-O 3.04Å
420	S	86.4	Confident	86.2	Confident	21 Å²	21	36.2 Å²	36.2	15%	0.147	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	150.6	-176.3	55.2	0	0	0	0	111.6	F411 S412 Y435	F411-S420 VanDerWaalsContact CE2-CB 3.41Å; S412-S420 CarbonylContact O-C 3.47Å; S412-S420 WeakPolarHBondContact O-CA 3.37Å; S420-Y435 PolarHBondContact N-O 2.79Å; S420-Y435 PolarHBondContact O-N 2.98Å
421	L	89.4	Confident	86.1	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	127.7	170	-171.4	68.9	0	0	0	108.5	I394 F411 S412 L432 L434 L460 A462 L467	I394-L421 HydrophobicContact CG2-CD2 3.95Å; F411-L421 CarbonylContact C-O 3.52Å; F411-L421 WeakPolarHBondContact CA-O 3.38Å; S412-L421 PolarHBondContact N-O 3.3Å; S412-L421 PolarHBondContact O-N 2.79Å; L421-L432 HydrophobicContact CD1-CD1 3.68Å; L421-L432 HydrophobicContact CD1-CG 4.21Å; L421-L432 HydrophobicContact CG-CD1 3.97Å; L421-L434 HydrophobicContact CD1-CB 4.35Å; L421-L434 HydrophobicContact CD1-CD1 4.1Å; L421-L460 HydrophobicContact CD2-CD1 3.99Å; L421-A462 HydrophobicContact CD2-CB 4.44Å; L421-L467 HydrophobicContact CD1-CD1 4.11Å
422	L	91.7	Very high	86	Confident	7 Å²	7	39 Å²	39	4%	0.037	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	121	-173.2	-178.3	72.5	0	0	0	109.7	L408 F411 L424 L432 T433 Y435 P510	L408-L422 HydrophobicContact CD1-CD1 3.35Å; L408-L422 HydrophobicContact CD1-CG 4.45Å; F411-L422 HydrophobicContact CB-CD1 4.28Å; F411-L422 HydrophobicContact CD2-CD1 3.91Å; L422-L424 HydrophobicContact CD1-CD2 4.3Å; L422-L424 HydrophobicContact CD1-CG 4.45Å; L422-L424 HydrophobicContact CD2-CD1 3.65Å; L422-L424 HydrophobicContact CD2-CD2 4.28Å; L422-L424 HydrophobicContact CD2-CG 3.96Å; L422-L424 HydrophobicContact CG-CD1 4.14Å; L422-L424 HydrophobicContact CG-CD2 4.28Å; L422-L424 HydrophobicContact CG-CG 3.91Å; L422-L432 CarbonylContact O-C 3.51Å; L422-L432 WeakPolarHBondContact O-CA 3.45Å; L422-T433 PolarHBondContact N-O 2.93Å; L422-T433 PolarHBondContact O-N 2.92Å; L422-Y435 HydrophobicContact CB-CE2 4.34Å; L422-Y435 HydrophobicContact CD2-CE2 3.82Å; L422-P510 HydrophobicContact CD2-CG 4.25Å
423	L	95	Very high	86	Confident	1 Å²	1	39 Å²	39	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	117.3	171.4	-175.6	73.7	0	0	0	109.6	F398 L409 L410 L430 L432 V458 L460	F398-L423 HydrophobicContact CE1-CD2 4.21Å; F398-L423 HydrophobicContact CZ-CD2 3.77Å; L409-L423 HydrophobicContact CB-CD2 3.97Å; L409-L423 HydrophobicContact CB-CG 4.27Å; L409-L423 HydrophobicContact CD1-CD2 4.09Å; L409-L423 HydrophobicContact CD1-CG 4.45Å; L409-L423 PolarHBondContact N-O 3.22Å; L410-L423 HydrophobicContact CB-CB 3.88Å; L410-L423 HydrophobicContact CB-CD2 4.45Å; L410-L423 PolarHBondContact N-O 2.82Å; L410-L423 PolarHBondContact O-N 2.8Å; L423-L430 HydrophobicContact CD1-CB 4.26Å; L423-L430 HydrophobicContact CD1-CD1 4.44Å; L423-L432 HydrophobicContact CB-CD1 4.22Å; L423-L432 HydrophobicContact CD1-CB 4.01Å; L423-L432 HydrophobicContact CD1-CD1 4.13Å; L423-V458 HydrophobicContact CD2-CG1 4.05Å; L423-L460 HydrophobicContact CB-CD2 4.34Å; L423-L460 HydrophobicContact CD2-CD2 3.99Å
424	L	95.4	Very high	86.1	Confident	13 Å²	13	36.9 Å²	36.9	7%	0.068	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	143.6	179.7	-64.1	162	0	0	0	110.1	L408 L422 L430 K431 P510 L511	L408-L424 HydrophobicContact CB-CD2 4.38Å; L408-L424 HydrophobicContact CD1-CD2 4.06Å; L422-L424 HydrophobicContact CD1-CD2 4.3Å; L422-L424 HydrophobicContact CD1-CG 4.45Å; L422-L424 HydrophobicContact CD2-CD1 3.65Å; L422-L424 HydrophobicContact CD2-CD2 4.28Å; L422-L424 HydrophobicContact CD2-CG 3.96Å; L422-L424 HydrophobicContact CG-CD1 4.14Å; L422-L424 HydrophobicContact CG-CD2 4.28Å; L422-L424 HydrophobicContact CG-CG 3.91Å; L424-L430 CarbonylContact O-C 3.6Å; L424-L430 WeakPolarHBondContact O-CA 3.46Å; L424-K431 PolarHBondContact N-O 3.25Å; L424-K431 PolarHBondContact O-N 3.31Å; L424-P510 HydrophobicContact CD1-CG 4.17Å; L424-P510 HydrophobicContact CD2-CG 3.93Å; L424-L511 HydrophobicContact CB-CD1 4.35Å; L424-L511 HydrophobicContact CD1-CD1 4.42Å; L424-L511 HydrophobicContact CD2-CD1 4.31Å; L424-L511 HydrophobicContact CD2-CG 4.49Å
425	L	96.2	Very high	86.3	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.7	153.6	-173.1	64.2	0	0	0	107.3	F400 T402 N404 A406 G407 K429 L430 L450 L511	F400-L425 HydrophobicContact CE2-CD2 4.35Å; T402-L425 HydrophobicContact CG2-CD2 3.71Å; N404-L425 WeakPolarHBondContact O-CD2 3.46Å; A406-L425 CarbonylContact C-O 3.52Å; A406-L425 WeakPolarHBondContact CA-O 3.34Å; G407-L425 PolarHBondContact N-O 2.86Å; G407-L425 PolarHBondContact O-N 3.34Å; L425-K429 WeakPolarHBondContact CA-O 3.36Å; L425-L430 HydrophobicContact CB-CD2 4.4Å; L425-L430 HydrophobicContact CD1-CD2 3.97Å; L425-L450 HydrophobicContact CD1-CB 4.04Å; L425-L450 HydrophobicContact CD1-CD1 4.34Å; L425-L511 WeakPolarHBondContact O-CD1 3.46Å
426	S	95	Very high	86.7	Confident	50 Å²	50	36.8 Å²	36.8	35%	0.35	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	118.1	-179.8	-174.1	0	0	0	0	109.2	K405 G428 K429	K405-S426 CarbonylContact O-C 3.59Å; S426-G428 PolarHBondContact O-N 3.43Å; S426-K429 PolarHBondContact N-O 3.18Å; S426-K429 PolarHBondContact O-N 3.11Å
427	D	94.4	Very high	87.2	Confident	119 Å²	119	35 Å²	35	64%	0.636	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	41	-174.5	-165.3	34.6	0	0	0	113.3	K405 K429	K405-D427 PolarHBondContact O-N 3.27Å; D427-K429 PolarHBondContact O-N 3.43Å
428	G	94	Very high	87.9	Confident	4 Å²	4	37.6 Å²	37.6	4%	0.041	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	12.1	-178.6	0	0	0	0	0	114.8	K405 S426 A448 G449 L450	K405-G428 PolarHBondContact O-N 3.42Å; S426-G428 PolarHBondContact O-N 3.43Å; G428-A448 CarbonylContact O-C 3.58Å; G428-G449 PolarHBondContact O-N 3.26Å; G428-L450 WeakPolarHBondContact O-CG 3.47Å; G428-L450 PolarHBondContact O-N 2.78Å
429	K	95.9	Very high	88	Confident	100 Å²	100	38.3 Å²	38.3	44%	0.435	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	148.4	174.4	-57.5	-178.9	179.8	169.6	0	110.3	L425 S426 D427 G447 A448	L425-K429 WeakPolarHBondContact CA-O 3.36Å; S426-K429 PolarHBondContact N-O 3.18Å; S426-K429 PolarHBondContact O-N 3.11Å; D427-K429 PolarHBondContact O-N 3.43Å; K429-G447 WeakPolarHBondContact CG-O 3.04Å; K429-A448 HydrophobicContact CG-CB 4.5Å
430	L	95.7	Very high	87.7	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	134.8	170.3	-66.2	-172.1	0	0	0	110.4	F400 L409 L423 L424 L425 T445 A446 L450 V458 V471	F400-L430 HydrophobicContact CE1-CD1 4.34Å; F400-L430 HydrophobicContact CE1-CD2 4.32Å; F400-L430 HydrophobicContact CZ-CD2 4.09Å; L409-L430 HydrophobicContact CD1-CD2 3.35Å; L423-L430 HydrophobicContact CD1-CB 4.26Å; L423-L430 HydrophobicContact CD1-CD1 4.44Å; L424-L430 CarbonylContact O-C 3.6Å; L424-L430 WeakPolarHBondContact O-CA 3.46Å; L425-L430 HydrophobicContact CB-CD2 4.4Å; L425-L430 HydrophobicContact CD1-CD2 3.97Å; L430-T445 CarbonylContact O-C 3.47Å; L430-T445 WeakPolarHBondContact O-CA 3.09Å; L430-A446 WeakPolarHBondContact CB-O 3.38Å; L430-A446 PolarHBondContact N-O 3.36Å; L430-A446 PolarHBondContact O-N 3.05Å; L430-L450 HydrophobicContact CB-CD1 4.46Å; L430-L450 HydrophobicContact CD1-CD1 4.3Å; L430-L450 HydrophobicContact CD2-CD1 4.14Å; L430-L450 HydrophobicContact CG-CD1 3.58Å; L430-V458 HydrophobicContact CD1-CB 4.39Å; L430-V458 HydrophobicContact CD1-CG1 3.84Å; L430-V458 HydrophobicContact CD1-CG2 3.58Å; L430-V471 HydrophobicContact CD1-CG2 3.7Å; L430-V471 HydrophobicContact CG-CG2 4.41Å
431	K	93.1	Very high	87.1	Confident	67 Å²	67	44.6 Å²	44.6	29%	0.291	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	111.4	172.9	-174	176	-179.5	177.1	0	108.9	L424 D443 I444 T445	L424-K431 PolarHBondContact N-O 3.25Å; L424-K431 PolarHBondContact O-N 3.31Å; K431-D443 WeakPolarHBondContact CE-OD2 3.46Å; K431-D443 IonicContact NZ-OD2 2.95Å; K431-D443 PolarHBondContact NZ-OD2 2.85Å; K431-I444 CarbonylContact C-O 3.52Å; K431-I444 WeakPolarHBondContact CA-O 3.34Å; K431-T445 HydrophobicContact CB-CG2 4.47Å; K431-T445 HydrophobicContact CG-CG2 4.29Å
432	L	92.6	Very high	86.6	Confident	1 Å²	1	46 Å²	46	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	115.1	172.1	-177.5	62.1	0	0	0	108.8	L421 L422 L423 D443 I444 L460 L467 V469	L421-L432 HydrophobicContact CD1-CD1 3.68Å; L421-L432 HydrophobicContact CD1-CG 4.21Å; L421-L432 HydrophobicContact CG-CD1 3.97Å; L422-L432 CarbonylContact O-C 3.51Å; L422-L432 WeakPolarHBondContact O-CA 3.45Å; L423-L432 HydrophobicContact CB-CD1 4.22Å; L423-L432 HydrophobicContact CD1-CB 4.01Å; L423-L432 HydrophobicContact CD1-CD1 4.13Å; L432-D443 CarbonylContact O-C 3.35Å; L432-D443 WeakPolarHBondContact O-CA 3.39Å; L432-I444 HydrophobicContact CB-CB 4.47Å; L432-I444 PolarHBondContact N-O 2.83Å; L432-I444 PolarHBondContact O-N 3.3Å; L432-L460 HydrophobicContact CD1-CD2 4.17Å; L432-L460 HydrophobicContact CD2-CB 4.22Å; L432-L467 HydrophobicContact CD2-CD1 3.65Å; L432-L467 HydrophobicContact CD2-CD2 4.34Å; L432-L467 HydrophobicContact CD2-CG 3.91Å; L432-L467 HydrophobicContact CG-CD1 4.33Å; L432-L467 HydrophobicContact CG-CD2 4.48Å; L432-V469 HydrophobicContact CD2-CB 4.15Å
433	T	89	Confident	86.4	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	130.4	177.9	-62.3	0	0	0	0	110.5	L422 Y435 P441 S442 D443	L422-T433 PolarHBondContact N-O 2.93Å; L422-T433 PolarHBondContact O-N 2.92Å; T433-Y435 HydrophobicContact CG2-CD1 4.31Å; T433-Y435 HydrophobicContact CG2-CD2 3.68Å; T433-Y435 HydrophobicContact CG2-CE1 3.97Å; T433-Y435 HydrophobicContact CG2-CE2 3.28Å; T433-Y435 HydrophobicContact CG2-CG 4.17Å; T433-Y435 VanDerWaalsContact CG2-CZ 3.44Å; T433-P441 HydrophobicContact CG2-CB 3.72Å; T433-S442 WeakPolarHBondContact CA-O 3.43Å; T433-D443 WeakPolarHBondContact CB-OD1 3.33Å; T433-D443 WeakPolarHBondContact CG2-OD1 3.36Å; T433-D443 PolarHBondContact OG1-OD1 3Å
434	L	86.8	Confident	86.1	Confident	5 Å²	5	49 Å²	49	3%	0.026	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	112.1	169.8	178.8	65.7	0	0	0	109.6	L414 L421 P441 S442 L467 W481	L414-L434 HydrophobicContact CD1-CD1 3.62Å; L421-L434 HydrophobicContact CD1-CB 4.35Å; L421-L434 HydrophobicContact CD1-CD1 4.1Å; L434-P441 WeakPolarHBondContact O-CA 3.28Å; L434-S442 PolarHBondContact N-O 2.84Å; L434-S442 PolarHBondContact O-N 3.46Å; L434-S442 VanDerWaalsContact O-N 3.12Å; L434-L467 HydrophobicContact CB-CD2 4.17Å; L434-W481 HydrophobicContact CD2-CZ2 4.02Å
435	Y	82.6	Confident	85.9	Confident	101 Å²	101	52.7 Å²	52.7	40%	0.396	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	134.5	175.1	-70.5	-77.2	0	0	0	111.4	G419 S420 L422 T433 P441	G419-Y435 CarbonylContact C-O 3.6Å; G419-Y435 WeakPolarHBondContact CA-O 3.04Å; S420-Y435 PolarHBondContact N-O 2.79Å; S420-Y435 PolarHBondContact O-N 2.98Å; L422-Y435 HydrophobicContact CB-CE2 4.34Å; L422-Y435 HydrophobicContact CD2-CE2 3.82Å; T433-Y435 HydrophobicContact CG2-CD1 4.31Å; T433-Y435 HydrophobicContact CG2-CD2 3.68Å; T433-Y435 HydrophobicContact CG2-CE1 3.97Å; T433-Y435 HydrophobicContact CG2-CE2 3.28Å; T433-Y435 HydrophobicContact CG2-CG 4.17Å; T433-Y435 VanDerWaalsContact CG2-CZ 3.44Å; Y435-P441 HydrophobicContact CD1-CB 3.98Å; Y435-P441 HydrophobicContact CE1-CB 3.93Å; Y435-P441 HydrophobicContact CE1-CG 4.25Å
436	Q	76.1	Confident	85.7	Confident	24 Å²	24	53.3 Å²	53.3	11%	0.112	31%	0.313	C	S	.	.			trans	-136.2	140.6	172.6	-66.7	-178.3	-16.3	0	0	110	V417 G438 K439	V417-Q436 HydrophobicContact CG1-CG 4.36Å; Q436-G438 PolarHBondContact O-N 2.77Å; Q436-K439 HydrophobicContact CB-CB 4.37Å; Q436-K439 PolarHBondContact O-N 2.78Å
437	P	71.7	Confident	85.6	Confident	74 Å²	74	52.8 Å²	52.8	48%	0.481	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	131.4	173.8	-20.5	30.8	0	0	0	111.4	S418 K439	S418-P437 WeakPolarHBondContact O-CD 3.24Å; S418-P437 WeakPolarHBondContact O-CG 3.38Å; P437-K439 VanDerWaalsContact C-N 3.27Å; P437-K439 PolarHBondContact O-N 2.7Å
438	G	74	Confident	85.5	Confident	92 Å²	92	50.4 Å²	50.4	95%	0.948	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	0.1	174.6	0	0	0	0	0	116.1	Q436	Q436-G438 PolarHBondContact O-N 2.77Å
439	K	73.2	Confident	85.5	Confident	113 Å²	113	52.4 Å²	52.4	49%	0.491	33%	0.334	S	S	.	.	S	Bend	trans	-120	153.8	176	-68.4	-173.6	178.3	-179.8	0	111.4	Q436 P437 L482	Q436-K439 HydrophobicContact CB-CB 4.37Å; Q436-K439 PolarHBondContact O-N 2.78Å; P437-K439 VanDerWaalsContact C-N 3.27Å; P437-K439 PolarHBondContact O-N 2.7Å; K439-L482 PolarHBondContact NZ-O 3.25Å
440	S	73.1	Confident	85.5	Confident	102 Å²	102	47.8 Å²	47.8	71%	0.713	31%	0.314	S	S	*	.			trans	-63.7	139.7	167.9	53.3	0	0	0	0	110
441	P	75	Confident	85.5	Confident	60 Å²	60	48.6 Å²	48.6	39%	0.39	32%	0.322	S	S	.	.			trans	-59	141.4	177.4	23.4	-31.5	0	0	0	111	T433 L434 Y435	T433-P441 HydrophobicContact CG2-CB 3.72Å; L434-P441 WeakPolarHBondContact O-CA 3.28Å; Y435-P441 HydrophobicContact CD1-CB 3.98Å; Y435-P441 HydrophobicContact CE1-CB 3.93Å; Y435-P441 HydrophobicContact CE1-CG 4.25Å
442	S	78.9	Confident	85.6	Confident	32 Å²	32	47.2 Å²	47.2	22%	0.224	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	113.1	171.7	-56.5	0	0	0	0	108.5	T433 L434	T433-S442 WeakPolarHBondContact CA-O 3.43Å; L434-S442 PolarHBondContact N-O 2.84Å; L434-S442 PolarHBondContact O-N 3.46Å; L434-S442 VanDerWaalsContact O-N 3.12Å
443	D	86.2	Confident	85.7	Confident	64 Å²	64	47.1 Å²	47.1	34%	0.342	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	135.5	-177.8	-70.7	-19.7	0	0	0	110.8	K431 L432 T433	K431-D443 WeakPolarHBondContact CE-OD2 3.46Å; K431-D443 IonicContact NZ-OD2 2.95Å; K431-D443 PolarHBondContact NZ-OD2 2.85Å; L432-D443 CarbonylContact O-C 3.35Å; L432-D443 WeakPolarHBondContact O-CA 3.39Å; T433-D443 WeakPolarHBondContact CB-OD1 3.33Å; T433-D443 WeakPolarHBondContact CG2-OD1 3.36Å; T433-D443 PolarHBondContact OG1-OD1 3Å
444	I	89.2	Confident	86	Confident	8 Å²	8	48 Å²	48	4%	0.041	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.8	168.2	-56.5	-176.3	0	0	0	108.4	K431 L432 L467 V469 S476	K431-I444 CarbonylContact C-O 3.52Å; K431-I444 WeakPolarHBondContact CA-O 3.34Å; L432-I444 HydrophobicContact CB-CB 4.47Å; L432-I444 PolarHBondContact N-O 2.83Å; L432-I444 PolarHBondContact O-N 3.3Å; I444-L467 HydrophobicContact CD1-CB 3.84Å; I444-L467 HydrophobicContact CD1-CD2 3.78Å; I444-L467 HydrophobicContact CD1-CG 3.6Å; I444-L467 WeakPolarHBondContact CD1-O 3.43Å; I444-L467 HydrophobicContact CG1-CD2 4.05Å; I444-L467 HydrophobicContact CG1-CG 4.4Å; I444-V469 HydrophobicContact CB-CG1 4.34Å; I444-V469 HydrophobicContact CG2-CG1 3.67Å; I444-S476 WeakPolarHBondContact CG2-OG 3.11Å
445	T	91.3	Very high	86.4	Confident	90 Å²	90	49.3 Å²	49.3	55%	0.552	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.1	140.1	174.8	53.9	0	0	0	0	111.2	L430 K431 S476	L430-T445 CarbonylContact O-C 3.47Å; L430-T445 WeakPolarHBondContact O-CA 3.09Å; K431-T445 HydrophobicContact CB-CG2 4.47Å; K431-T445 HydrophobicContact CG-CG2 4.29Å; T445-S476 PolarHBondContact O-OG 2.85Å; T445-S476 VanDerWaalsContact O-OG 3.05Å
446	A	92.5	Very high	87.1	Confident	12 Å²	12	45.2 Å²	45.2	10%	0.099	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	151.7	179.2	0	0	0	0	0	112.8	L430 V469 V471	L430-A446 WeakPolarHBondContact CB-O 3.38Å; L430-A446 PolarHBondContact N-O 3.36Å; L430-A446 PolarHBondContact O-N 3.05Å; A446-V469 HydrophobicContact CB-CG1 3.63Å; A446-V471 HydrophobicContact CB-CG2 3.71Å
447	G	92.2	Very high	88.1	Confident	39 Å²	39	46.3 Å²	46.3	40%	0.402	32%	0.32	S	S	.	.			trans	70.3	172.6	-177.3	0	0	0	0	0	114	K429	K429-G447 WeakPolarHBondContact CG-O 3.04Å
448	A	93	Very high	89.3	Confident	70 Å²	70	43 Å²	43	58%	0.579	30%	0.299	S	S	*	.	S	Bend	trans	-157.1	144.6	173.9	0	0	0	0	0	110.2	G428 K429 L450	G428-A448 CarbonylContact O-C 3.58Å; K429-A448 HydrophobicContact CG-CB 4.5Å; A448-L450 VanDerWaalsContact C-N 3.3Å; A448-L450 PolarHBondContact O-N 3.23Å
449	G	93.8	Very high	90.3	Very high	46 Å²	46	41 Å²	41	47%	0.474	27%	0.271	S	S	.	.			trans	68.7	25.2	177.8	0	0	0	0	0	114.4	G428 G451 D452	G428-G449 PolarHBondContact O-N 3.26Å; G449-G451 PolarHBondContact O-N 2.71Å; G449-D452 WeakPolarHBondContact O-CB 3.45Å
450	L	96.5	Very high	91.3	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.01	25%	0.248	C	C	.	.			trans	-73.8	7.5	-173.5	-53.6	171.4	0	0	0	114.8	F400 L425 G428 L430 A448 H456 V471	F400-L450 HydrophobicContact CZ-CB 4.04Å; F400-L450 HydrophobicContact CZ-CD1 4.31Å; L425-L450 HydrophobicContact CD1-CB 4.04Å; L425-L450 HydrophobicContact CD1-CD1 4.34Å; G428-L450 WeakPolarHBondContact O-CG 3.47Å; G428-L450 PolarHBondContact O-N 2.78Å; L430-L450 HydrophobicContact CB-CD1 4.46Å; L430-L450 HydrophobicContact CD1-CD1 4.3Å; L430-L450 HydrophobicContact CD2-CD1 4.14Å; L430-L450 HydrophobicContact CG-CD1 3.58Å; A448-L450 VanDerWaalsContact C-N 3.3Å; A448-L450 PolarHBondContact O-N 3.23Å; L450-H456 HydrophobicContact CD2-CB 4.33Å; L450-H456 WeakPolarHBondContact CD2-ND1 3.47Å; L450-V471 HydrophobicContact CD1-CG1 4.19Å; L450-V471 HydrophobicContact CD2-CG1 3.89Å
451	G	95.2	Very high	92	Very high	17 Å²	17	31.8 Å²	31.8	18%	0.175	22%	0.22	C	C	.	.			trans	-104.8	37	174.9	0	0	0	0	0	111.4	T402 G449	T402-G451 CarbonylContact O-C 3.56Å; T402-G451 VanDerWaalsContact O-CA 3.3Å; T402-G451 WeakPolarHBondContact O-CA 3.29Å; G449-G451 PolarHBondContact O-N 2.71Å
452	D	94.4	Very high	92.4	Very high	38 Å²	38	29.1 Å²	29.1	20%	0.203	20%	0.203	C	C	.	.	S	Bend	trans	-101.4	10.1	-174	70.3	-9.2	0	0	0	113.4	R240 W403 G449 Q454 H456	R240-D452 IonicContact CZ-OD2 2.95Å; R240-D452 IonicContact NH2-OD2 3.14Å; R240-D452 PolarHBondContact NH2-OD2 3.22Å; W403-D452 WeakPolarHBondContact CH2-O 3.12Å; W403-D452 WeakPolarHBondContact CZ3-O 3.4Å; G449-D452 WeakPolarHBondContact O-CB 3.45Å; D452-Q454 PolarHBondContact O-N 3.41Å; D452-Q454 VanDerWaalsContact OD1-CB 3.28Å; D452-Q454 WeakPolarHBondContact OD1-CB 3.31Å; D452-Q454 PolarHBondContact OD1-N 3.5Å; D452-Q454 WeakPolarHBondContact OD2-CG 3.31Å; D452-H456 IonicContact OD1-CD2 3.18Å; D452-H456 IonicContact OD1-CE1 3.54Å; D452-H456 IonicContact OD1-NE2 2.78Å; D452-H456 PolarHBondContact OD1-NE2 3.43Å; D452-H456 IonicContact OD2-NE2 2.76Å
453	G	94.8	Very high	92.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	74	-2.1	-177.6	0	0	0	0	0	115	R401 T402	R401-G453 WeakPolarHBondContact CD-O 3.2Å; T402-G453 PolarHBondContact O-N 2.9Å
454	Q	95.4	Very high	91.7	Very high	19 Å²	19	36.5 Å²	36.5	9%	0.089	22%	0.224	C	C	.	.	S	Bend	trans	-85.4	158.1	178.4	-56.4	-64.1	-71.1	0	0	111.7	R240 R401 D452 H456	R240-Q454 VanDerWaalsContact C-OE1 3.26Å; R240-Q454 VanDerWaalsContact CA-OE1 3.26Å; R240-Q454 PolarHBondContact O-NE2 3.03Å; R240-Q454 PolarHBondContact O-OE1 2.81Å; R401-Q454 WeakPolarHBondContact CA-O 3.25Å; R401-Q454 WeakPolarHBondContact CB-O 3.42Å; D452-Q454 PolarHBondContact O-N 3.41Å; D452-Q454 VanDerWaalsContact OD1-CB 3.28Å; D452-Q454 WeakPolarHBondContact OD1-CB 3.31Å; D452-Q454 PolarHBondContact OD1-N 3.5Å; D452-Q454 WeakPolarHBondContact OD2-CG 3.31Å; Q454-H456 PolarHBondContact O-CD2 2.76Å; Q454-H456 PolarHBondContact O-N 3.46Å
455	W	95.4	Very high	90.8	Very high	33 Å²	33	40.3 Å²	40.3	13%	0.125	25%	0.245	C	C	.	.			trans	-75.1	122.1	172.7	-74.8	109.1	0	0	0	111.4	D270 P373 Q399 R401 C517 R519 C549	D270-W455 VanDerWaalsContact OD2-CD1 3.29Å; P373-W455 HydrophobicContact CB-CH2 4.42Å; Q399-W455 HydrophobicContact CB-CE3 3.91Å; Q399-W455 HydrophobicContact CB-CZ3 4.33Å; R401-W455 HydrophobicContact CB-CD2 4.13Å; R401-W455 HydrophobicContact CB-CE3 4.08Å; R401-W455 HydrophobicContact CB-CG 4.47Å; R401-W455 VanDerWaalsContact CD-CE2 3.45Å; R401-W455 HydrophobicContact CG-CD2 3.88Å; R401-W455 HydrophobicContact CG-CE3 3.96Å; R401-W455 HydrophobicContact CG-CH2 4.12Å; R401-W455 HydrophobicContact CG-CZ2 4.01Å; R401-W455 HydrophobicContact CG-CZ3 4.08Å; W455-C517 HydrophobicContact CH2-CB 3.54Å; W455-C517 HydrophobicContact CZ2-CB 4.19Å; W455-C517 HydrophobicContact CZ3-CB 4.18Å; W455-R519 HydrophobicContact CE3-CG 4.17Å; W455-R519 HydrophobicContact CH2-CB 4.21Å; W455-R519 HydrophobicContact CH2-CG 3.8Å; W455-R519 HydrophobicContact CZ2-CG 4.4Å; W455-R519 HydrophobicContact CZ3-CB 4.35Å; W455-R519 HydrophobicContact CZ3-CG 3.68Å; W455-C549 HydrophobicContact CZ2-CB 4.44Å
456	H	96.8	Very high	90.2	Very high	15 Å²	15	39.7 Å²	39.7	7%	0.069	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	134.4	173.4	-64	-70.1	0	0	0	111.2	Q399 F400 L450 D452 Q454 D472	Q399-H456 CarbonylContact C-O 3.56Å; Q399-H456 WeakPolarHBondContact CA-O 3.24Å; F400-H456 HydrophobicContact CD1-CB 4.34Å; F400-H456 HydrophobicContact CE1-CB 3.96Å; F400-H456 HydrophobicContact CZ-CB 4.38Å; F400-H456 PolarHBondContact N-O 2.95Å; F400-H456 PolarHBondContact O-N 3.46Å; L450-H456 HydrophobicContact CD2-CB 4.33Å; L450-H456 WeakPolarHBondContact CD2-ND1 3.47Å; D452-H456 IonicContact OD1-CD2 3.18Å; D452-H456 IonicContact OD1-CE1 3.54Å; D452-H456 IonicContact OD1-NE2 2.78Å; D452-H456 PolarHBondContact OD1-NE2 3.43Å; D452-H456 IonicContact OD2-NE2 2.76Å; Q454-H456 PolarHBondContact O-CD2 2.76Å; Q454-H456 PolarHBondContact O-N 3.46Å; H456-D472 VanDerWaalsContact CA-OD1 3.23Å; H456-D472 WeakPolarHBondContact CA-OD1 3.36Å; H456-D472 IonicContact CE1-OD2 3.15Å; H456-D472 IonicContact CG-OD2 3.98Å; H456-D472 IonicContact ND1-OD1 3.17Å; H456-D472 IonicContact ND1-OD2 3.4Å; H456-D472 PolarHBondContact ND1-OD2 2.74Å
457	S	97	Very high	89.8	Confident	46 Å²	46	39.3 Å²	39.3	32%	0.322	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	126	176.2	-59.6	0	0	0	0	110.8	Q399 V471 D472	Q399-S457 WeakPolarHBondContact CG-OG 3.27Å; Q399-S457 PolarHBondContact NE2-OG 3.37Å; S457-V471 CarbonylContact O-C 3.37Å; S457-V471 VanDerWaalsContact O-CA 3.3Å; S457-V471 WeakPolarHBondContact O-CA 3.5Å; S457-D472 PolarHBondContact N-OD1 3.38Å; S457-D472 PolarHBondContact O-N 2.98Å
458	V	97.3	Very high	89.6	Confident	4 Å²	4	38.1 Å²	38.1	2%	0.024	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	133	179.6	-175.6	0	0	0	0	109.5	S397 F398 F400 L423 L430 V469 V470	S397-V458 CarbonylContact C-O 3.47Å; S397-V458 WeakPolarHBondContact CA-O 3.19Å; S397-V458 VanDerWaalsContact CB-O 3.28Å; S397-V458 WeakPolarHBondContact CB-O 3.24Å; F398-V458 HydrophobicContact CE1-CB 4.44Å; F398-V458 HydrophobicContact CE1-CG1 4.38Å; F398-V458 HydrophobicContact CE2-CB 4.26Å; F398-V458 HydrophobicContact CE2-CG2 4.3Å; F398-V458 HydrophobicContact CZ-CB 4.19Å; F398-V458 HydrophobicContact CZ-CG1 4.22Å; F398-V458 PolarHBondContact N-O 2.83Å; F398-V458 PolarHBondContact O-N 2.85Å; F400-V458 HydrophobicContact CD1-CG2 3.59Å; F400-V458 HydrophobicContact CE1-CG2 3.42Å; F400-V458 VanDerWaalsContact CE1-CG2 3.42Å; L423-V458 HydrophobicContact CD2-CG1 4.05Å; L430-V458 HydrophobicContact CD1-CB 4.39Å; L430-V458 HydrophobicContact CD1-CG1 3.84Å; L430-V458 HydrophobicContact CD1-CG2 3.58Å; V458-V469 HydrophobicContact CG1-CG2 4.34Å; V458-V470 WeakPolarHBondContact CA-O 3.28Å
459	S	95.8	Very high	89.6	Confident	52 Å²	52	34.8 Å²	34.8	36%	0.364	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	129.5	166.4	-177.9	0	0	0	0	109.4	V469 V470	S459-V469 CarbonylContact O-C 3.46Å; S459-V469 WeakPolarHBondContact O-CA 3.28Å; S459-V470 PolarHBondContact N-O 3.15Å; S459-V470 PolarHBondContact O-N 3.4Å
460	L	93.2	Very high	89.6	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	148.5	172.8	62.3	85.1	0	0	0	110.8	S395 A396 L410 L421 L423 L432 S468	S395-L460 WeakPolarHBondContact CA-O 3.39Å; A396-L460 HydrophobicContact CB-CD1 3.98Å; A396-L460 HydrophobicContact CB-CG 4.16Å; A396-L460 PolarHBondContact N-O 2.87Å; A396-L460 VanDerWaalsContact N-O 3.14Å; A396-L460 PolarHBondContact O-N 2.95Å; L410-L460 HydrophobicContact CD2-CD1 4.34Å; L410-L460 HydrophobicContact CD2-CD2 3.69Å; L410-L460 HydrophobicContact CD2-CG 4.47Å; L421-L460 HydrophobicContact CD2-CD1 3.99Å; L423-L460 HydrophobicContact CB-CD2 4.34Å; L423-L460 HydrophobicContact CD2-CD2 3.99Å; L432-L460 HydrophobicContact CD1-CD2 4.17Å; L432-L460 HydrophobicContact CD2-CB 4.22Å; L460-S468 WeakPolarHBondContact CA-O 3.38Å
461	S	88.5	Confident	89.6	Confident	19 Å²	19	34.4 Å²	34.4	13%	0.133	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	127	173.8	-170.2	0	0	0	0	109.6	I394 K463 S468	I394-S461 CarbonylContact O-C 3.59Å; I394-S461 WeakPolarHBondContact O-CA 3.27Å; S461-K463 WeakPolarHBondContact OG-CE 3.49Å; S461-S468 PolarHBondContact N-O 3.38Å; S461-S468 PolarHBondContact O-N 3.18Å
462	A	83.9	Confident	89.5	Confident	4 Å²	4	36.9 Å²	36.9	3%	0.033	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	112.4	168.2	0	0	0	0	0	108	I394 L421 L467 V487	I394-A462 HydrophobicContact CB-CB 4.33Å; I394-A462 PolarHBondContact N-O 2.96Å; I394-A462 PolarHBondContact O-N 2.75Å; L421-A462 HydrophobicContact CD2-CB 4.44Å; A462-L467 HydrophobicContact CB-CD1 3.74Å; A462-V487 HydrophobicContact CB-CG1 4.32Å
463	K	78.7	Confident	89.3	Confident	112 Å²	112	38 Å²	38	49%	0.487	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	171.5	176	-60.2	-175.5	178.9	179.5	0	109	A393 S461 N465 H466	A393-K463 HydrophobicContact CB-CD 4.37Å; A393-K463 HydrophobicContact CB-CG 3.71Å; S461-K463 WeakPolarHBondContact OG-CE 3.49Å; K463-N465 PolarHBondContact O-N 2.95Å; K463-N465 VanDerWaalsContact O-N 3.12Å; K463-H466 HydrophobicContact CB-CB 4.39Å; K463-H466 PolarHBondContact N-O 2.89Å; K463-H466 PolarHBondContact O-N 2.87Å; K463-H466 VanDerWaalsContact O-N 3.09Å; K463-H466 VanDerWaalsContact O-O 3.13Å
464	R	71.8	Confident	89	Confident	139 Å²	139	45.2 Å²	45.2	53%	0.525	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	120.5	170.4	-170.5	177	178.4	150.8	-1.2	110	H466 E485	R464-H466 PolarHBondContact O-N 2.97Å; R464-H466 VanDerWaalsContact O-N 3.14Å; R464-E485 WeakPolarHBondContact CD-O 3.12Å; R464-E485 IonicContact CZ-OE1 3.35Å; R464-E485 IonicContact NH1-OE1 3.81Å; R464-E485 IonicContact NH2-OE1 3.97Å; R464-E485 PolarHBondContact NH2-OE1 2.86Å
465	N	70.1	Confident	88.1	Confident	89 Å²	89	50.6 Å²	50.6	48%	0.476	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	13.8	178.9	-57	-9.7	0	0	0	116	K463 W481	K463-N465 PolarHBondContact O-N 2.95Å; K463-N465 VanDerWaalsContact O-N 3.12Å; N465-W481 VanDerWaalsContact CA-CE3 3.47Å; N465-W481 HydrophobicContact CB-CE3 4.47Å; N465-W481 VanDerWaalsContact N-CE3 3.29Å; N465-W481 VanDerWaalsContact N-CZ3 3.35Å; N465-W481 PolarHBondContact OD1-O 3.02Å
466	H	77.7	Confident	87.2	Confident	77 Å²	77	49.5 Å²	49.5	36%	0.356	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	111.9	-178.1	-171.8	-91.8	0	0	0	111.6	K463 R464 S468	K463-H466 HydrophobicContact CB-CB 4.39Å; K463-H466 PolarHBondContact N-O 2.89Å; K463-H466 PolarHBondContact O-N 2.87Å; K463-H466 VanDerWaalsContact O-N 3.09Å; K463-H466 VanDerWaalsContact O-O 3.13Å; R464-H466 PolarHBondContact O-N 2.97Å; R464-H466 VanDerWaalsContact O-N 3.14Å; H466-S468 VanDerWaalsContact CE1-CB 3.42Å; H466-S468 WeakPolarHBondContact CE1-CB 3.4Å; H466-S468 PolarHBondContact CE1-OG 2.81Å; H466-S468 VanDerWaalsContact CE1-OG 3.29Å
467	L	84.6	Confident	85.7	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.021	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.2	168.8	-174.6	68	0	0	0	107.8	L421 L432 L434 I444 A462	L421-L467 HydrophobicContact CD1-CD1 4.11Å; L432-L467 HydrophobicContact CD2-CD1 3.65Å; L432-L467 HydrophobicContact CD2-CD2 4.34Å; L432-L467 HydrophobicContact CD2-CG 3.91Å; L432-L467 HydrophobicContact CG-CD1 4.33Å; L432-L467 HydrophobicContact CG-CD2 4.48Å; L434-L467 HydrophobicContact CB-CD2 4.17Å; I444-L467 HydrophobicContact CD1-CB 3.84Å; I444-L467 HydrophobicContact CD1-CD2 3.78Å; I444-L467 HydrophobicContact CD1-CG 3.6Å; I444-L467 WeakPolarHBondContact CD1-O 3.43Å; I444-L467 HydrophobicContact CG1-CD2 4.05Å; I444-L467 HydrophobicContact CG1-CG 4.4Å; A462-L467 HydrophobicContact CB-CD1 3.74Å
468	S	88.2	Confident	83.9	Confident	14 Å²	14	54.4 Å²	54.4	10%	0.098	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	145.9	179.2	60.1	0	0	0	0	111.7	L460 S461 H466	L460-S468 WeakPolarHBondContact CA-O 3.38Å; S461-S468 PolarHBondContact N-O 3.38Å; S461-S468 PolarHBondContact O-N 3.18Å; H466-S468 VanDerWaalsContact CE1-CB 3.42Å; H466-S468 WeakPolarHBondContact CE1-CB 3.4Å; H466-S468 PolarHBondContact CE1-OG 2.81Å; H466-S468 VanDerWaalsContact CE1-OG 3.29Å
469	V	92.6	Very high	82.1	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	136.7	167.7	60.3	0	0	0	0	108.6	L432 I444 A446 V458 S459 V471 S476	L432-V469 HydrophobicContact CD2-CB 4.15Å; I444-V469 HydrophobicContact CB-CG1 4.34Å; I444-V469 HydrophobicContact CG2-CG1 3.67Å; A446-V469 HydrophobicContact CB-CG1 3.63Å; V458-V469 HydrophobicContact CG1-CG2 4.34Å; S459-V469 CarbonylContact O-C 3.46Å; S459-V469 WeakPolarHBondContact O-CA 3.28Å; V469-V471 HydrophobicContact CG2-CG2 4.32Å; V469-S476 VanDerWaalsContact O-CB 3.31Å; V469-S476 WeakPolarHBondContact O-CB 3.27Å; V469-S476 PolarHBondContact O-N 3.09Å; V469-S476 VanDerWaalsContact O-N 3.13Å
470	V	94.1	Very high	80.3	Confident	34 Å²	34	59.7 Å²	59.7	21%	0.206	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128.9	179.2	-175.1	0	0	0	0	107.4	V458 S459 H474 I475	V458-V470 WeakPolarHBondContact CA-O 3.28Å; S459-V470 PolarHBondContact N-O 3.15Å; S459-V470 PolarHBondContact O-N 3.4Å; V470-H474 WeakPolarHBondContact CA-O 3.42Å; V470-H474 WeakPolarHBondContact CG1-O 3.47Å; V470-I475 HydrophobicContact CG1-CG1 4.21Å; V470-I475 HydrophobicContact CG2-CB 4.46Å; V470-I475 HydrophobicContact CG2-CG1 3.99Å; V470-I475 HydrophobicContact CG2-CG2 4.49Å
471	V	95.7	Very high	78.4	Confident	5 Å²	5	60.7 Å²	60.7	3%	0.03	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	122.7	179.2	-172.5	0	0	0	0	108.2	L430 A446 L450 S457 V469 G473 H474	L430-V471 HydrophobicContact CD1-CG2 3.7Å; L430-V471 HydrophobicContact CG-CG2 4.41Å; A446-V471 HydrophobicContact CB-CG2 3.71Å; L450-V471 HydrophobicContact CD1-CG1 4.19Å; L450-V471 HydrophobicContact CD2-CG1 3.89Å; S457-V471 CarbonylContact O-C 3.37Å; S457-V471 VanDerWaalsContact O-CA 3.3Å; S457-V471 WeakPolarHBondContact O-CA 3.5Å; V469-V471 HydrophobicContact CG2-CG2 4.32Å; V471-G473 PolarHBondContact O-N 2.91Å; V471-G473 VanDerWaalsContact O-N 3.15Å; V471-H474 PolarHBondContact N-O 3.22Å; V471-H474 WeakPolarHBondContact O-CA 3.34Å; V471-H474 WeakPolarHBondContact O-CB 3.23Å; V471-H474 PolarHBondContact O-N 2.95Å
472	D	93.8	Very high	76.7	Confident	69 Å²	69	67.6 Å²	67.6	37%	0.369	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	37.8	-178.9	-58.1	-32.8	0	0	0	113.9	H456 S457 H474	H456-D472 VanDerWaalsContact CA-OD1 3.23Å; H456-D472 WeakPolarHBondContact CA-OD1 3.36Å; H456-D472 IonicContact CE1-OD2 3.15Å; H456-D472 IonicContact CG-OD2 3.98Å; H456-D472 IonicContact ND1-OD1 3.17Å; H456-D472 IonicContact ND1-OD2 3.4Å; H456-D472 PolarHBondContact ND1-OD2 2.74Å; S457-D472 PolarHBondContact N-OD1 3.38Å; S457-D472 PolarHBondContact O-N 2.98Å; D472-H474 PolarHBondContact O-CD2 3.48Å; D472-H474 PolarHBondContact O-N 2.96Å
473	G	88.9	Confident	75.4	Confident	63 Å²	63	68.1 Å²	68.1	65%	0.649	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	-9.6	-177	0	0	0	0	0	114.8	V471	V471-G473 PolarHBondContact O-N 2.91Å; V471-G473 VanDerWaalsContact O-N 3.15Å
474	H	88.6	Confident	74.2	Confident	150 Å²	150	64.5 Å²	64.5	69%	0.694	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	120	174.7	-67.7	-86.8	0	0	0	111.2	V470 V471 D472	V470-H474 WeakPolarHBondContact CA-O 3.42Å; V470-H474 WeakPolarHBondContact CG1-O 3.47Å; V471-H474 PolarHBondContact N-O 3.22Å; V471-H474 WeakPolarHBondContact O-CA 3.34Å; V471-H474 WeakPolarHBondContact O-CB 3.23Å; V471-H474 PolarHBondContact O-N 2.95Å; D472-H474 PolarHBondContact O-CD2 3.48Å; D472-H474 PolarHBondContact O-N 2.96Å
475	I	77.8	Confident	73.3	Confident	133 Å²	133	64.2 Å²	64.2	68%	0.682	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	125.6	-178.7	-57.8	171.1	0	0	0	109.3	V470	V470-I475 HydrophobicContact CG1-CG1 4.21Å; V470-I475 HydrophobicContact CG2-CB 4.46Å; V470-I475 HydrophobicContact CG2-CG1 3.99Å; V470-I475 HydrophobicContact CG2-CG2 4.49Å
476	S	75.1	Confident	72.8	Confident	10 Å²	10	64.6 Å²	64.6	7%	0.07	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-72.4	143	169.9	-173.8	0	0	0	0	110.6	I444 T445 V469 A478	I444-S476 WeakPolarHBondContact CG2-OG 3.11Å; T445-S476 PolarHBondContact O-OG 2.85Å; T445-S476 VanDerWaalsContact O-OG 3.05Å; V469-S476 VanDerWaalsContact O-CB 3.31Å; V469-S476 WeakPolarHBondContact O-CB 3.27Å; V469-S476 PolarHBondContact O-N 3.09Å; V469-S476 VanDerWaalsContact O-N 3.13Å; S476-A478 PolarHBondContact O-N 2.78Å; S476-A478 VanDerWaalsContact O-N 3.1Å
477	P	65.8	Low	72	Confident	112 Å²	112	61.2 Å²	61.2	73%	0.727	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-52.6	121.7	176	19	-30.8	0	0	0	110.3	S479	P477-S479 PolarHBondContact O-N 2.87Å
478	A	60.2	Low	71.2	Confident	52 Å²	52	62.2 Å²	62.2	43%	0.43	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-57.5	125.7	177.4	0	0	0	0	0	108.8	S476 P480	S476-A478 PolarHBondContact O-N 2.78Å; S476-A478 VanDerWaalsContact O-N 3.1Å; A478-P480 WeakPolarHBondContact O-CD 3.08Å
479	S	58.6	Low	70	Confident	42 Å²	42	61.8 Å²	61.8	29%	0.294	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	118.3	172.9	-176	0	0	0	0	108.3	P477 W481	P477-S479 PolarHBondContact O-N 2.87Å; S479-W481 PolarHBondContact O-N 2.82Å; S479-W481 VanDerWaalsContact O-N 3.14Å
480	P	57.3	Low	68.7	Low	125 Å²	125	63.1 Å²	63.1	81%	0.812	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63	117.3	173.6	11.6	-9.7	0	0	0	109	A478	A478-P480 WeakPolarHBondContact O-CD 3.08Å
481	W	54.3	Low	68	Low	22 Å²	22	62.1 Å²	62.1	8%	0.083	37%	0.371	C	S	.	.			trans	-112	135.1	-173.1	174.4	86.9	0	0	0	112	L434 N465 S479 G483 P484 V487	L434-W481 HydrophobicContact CD2-CZ2 4.02Å; N465-W481 VanDerWaalsContact CA-CE3 3.47Å; N465-W481 HydrophobicContact CB-CE3 4.47Å; N465-W481 VanDerWaalsContact N-CE3 3.29Å; N465-W481 VanDerWaalsContact N-CZ3 3.35Å; N465-W481 PolarHBondContact OD1-O 3.02Å; S479-W481 PolarHBondContact O-N 2.82Å; S479-W481 VanDerWaalsContact O-N 3.14Å; W481-G483 VanDerWaalsContact CD2-CA 3.47Å; W481-G483 VanDerWaalsContact CE3-CA 3.46Å; W481-G483 VanDerWaalsContact CH2-CA 3.43Å; W481-G483 VanDerWaalsContact CZ3-CA 3.45Å; W481-G483 WeakPolarHBondContact CZ3-O 3.26Å; W481-P484 HydrophobicContact CH2-CG 4.05Å; W481-P484 WeakPolarHBondContact CH2-O 3.31Å; W481-P484 VanDerWaalsContact CZ2-CD 3.46Å; W481-P484 HydrophobicContact CZ2-CG 4.15Å; W481-P484 WeakPolarHBondContact CZ3-O 3.46Å; W481-V487 HydrophobicContact CH2-CG2 3.55Å; W481-V487 HydrophobicContact CZ2-CG2 4Å
482	L	53.5	Low	67.7	Low	163 Å²	163	64 Å²	64	85%	0.853	38%	0.382	S	S	*	.			trans	-109.3	54.6	174.1	-83	159.6	0	0	0	111	K439	K439-L482 PolarHBondContact NZ-O 3.25Å
483	G	55.3	Low	67.6	Low	16 Å²	16	60.7 Å²	60.7	17%	0.165	37%	0.365	C	S	.	.			trans	-106.4	-174.5	178.7	0	0	0	0	0	114.3	W481	W481-G483 VanDerWaalsContact CD2-CA 3.47Å; W481-G483 VanDerWaalsContact CE3-CA 3.46Å; W481-G483 VanDerWaalsContact CH2-CA 3.43Å; W481-G483 VanDerWaalsContact CZ3-CA 3.45Å; W481-G483 WeakPolarHBondContact CZ3-O 3.26Å
484	P	54.5	Low	67.8	Low	36 Å²	36	59 Å²	59	23%	0.234	34%	0.339	C	S	.	.			trans	-55.9	152.9	-170	17.9	-29.6	0	0	0	113.6	V417 W481 Q486	V417-P484 HydrophobicContact CG1-CG 4.47Å; V417-P484 HydrophobicContact CG2-CB 3.86Å; V417-P484 HydrophobicContact CG2-CG 3.59Å; W481-P484 HydrophobicContact CH2-CG 4.05Å; W481-P484 WeakPolarHBondContact CH2-O 3.31Å; W481-P484 VanDerWaalsContact CZ2-CD 3.46Å; W481-P484 HydrophobicContact CZ2-CG 4.15Å; W481-P484 WeakPolarHBondContact CZ3-O 3.46Å; P484-Q486 PolarHBondContact O-N 2.62Å; P484-Q486 VanDerWaalsContact O-N 3.12Å
485	E	53.3	Low	68.2	Low	133 Å²	133	51.9 Å²	51.9	62%	0.621	31%	0.306	S	S	*	.	S	Bend	trans	-61	-22	-177.1	-70.4	-163.9	113.9	0	0	114.4	R464	R464-E485 WeakPolarHBondContact CD-O 3.12Å; R464-E485 IonicContact CZ-OE1 3.35Å; R464-E485 IonicContact NH1-OE1 3.81Å; R464-E485 IonicContact NH2-OE1 3.97Å; R464-E485 PolarHBondContact NH2-OE1 2.86Å
486	Q	59.1	Low	69.1	Low	96 Å²	96	45.5 Å²	45.5	45%	0.449	27%	0.273	S	S	.	.			trans	-135.7	134.8	179.6	-74.3	179.5	-13.6	0	0	111.3	P484	P484-Q486 PolarHBondContact O-N 2.62Å; P484-Q486 VanDerWaalsContact O-N 3.12Å
487	V	61.6	Low	69.9	Low	7 Å²	7	45.1 Å²	45.1	4%	0.042	27%	0.27	C	S	.	.			trans	-119.2	86.7	174.8	-176.2	0	0	0	0	107.5	I394 L414 A462 W481	I394-V487 HydrophobicContact CD1-CG1 3.89Å; I394-V487 HydrophobicContact CG1-CG1 4.45Å; L414-V487 HydrophobicContact CD2-CG1 3.78Å; A462-V487 HydrophobicContact CB-CG1 4.32Å; W481-V487 HydrophobicContact CH2-CG2 3.55Å; W481-V487 HydrophobicContact CZ2-CG2 4Å
488	N	66.9	Low	71.1	Confident	25 Å²	25	40.9 Å²	40.9	13%	0.134	24%	0.243	C	C	.	.			trans	-99.5	135.8	179.1	-62.1	6.3	0	0	0	109.9	Q415 L416	Q415-N488 PolarHBondContact N-O 3.19Å; Q415-N488 VanDerWaalsContact N-O 3.13Å; L416-N488 HydrophobicContact CD1-CB 4.1Å
489	S	63.5	Low	72.5	Confident	5 Å²	5	39.1 Å²	39.1	4%	0.035	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	145.1	175.8	177.7	0	0	0	0	111.6	S412 Q415 G491 F493	S412-S489 PolarHBondContact OG-OG 3.35Å; Q415-S489 WeakPolarHBondContact CG-O 3.22Å; S489-G491 PolarHBondContact O-N 2.71Å; S489-G491 PolarHBondContact OG-N 3.06Å; S489-F493 WeakPolarHBondContact OG-CE2 3.48Å
490	G	65.2	Low	73.4	Confident	27 Å²	27	43.4 Å²	43.4	28%	0.278	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	-5.5	169.8	0	0	0	0	0	114.9	E413 V492	E413-G490 VanDerWaalsContact O-CA 3.29Å; E413-G490 WeakPolarHBondContact O-CA 3.04Å; E413-G490 PolarHBondContact O-N 3.21Å; G490-V492 VanDerWaalsContact C-N 3.34Å
491	G	79.7	Confident	73.8	Confident	13 Å²	13	47.3 Å²	47.3	13%	0.134	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	89.2	-2.5	-176	0	0	0	0	0	113.6	P386 A387 S489	P386-G491 WeakPolarHBondContact CA-O 3.12Å; A387-G491 PolarHBondContact N-O 3.11Å; S489-G491 PolarHBondContact O-N 2.71Å; S489-G491 PolarHBondContact OG-N 3.06Å
492	V	88.1	Confident	73.8	Confident	45 Å²	45	50 Å²	50	27%	0.273	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	140	-176.5	-175.4	0	0	0	0	111.3	V384 L385 S412 G490 Y494	V384-V492 HydrophobicContact CG1-CG1 3.21Å; L385-V492 WeakPolarHBondContact O-CA 3.38Å; S412-V492 PolarHBondContact OG-O 3.06Å; G490-V492 VanDerWaalsContact C-N 3.34Å; V492-Y494 HydrophobicContact CB-CE2 4.21Å; V492-Y494 HydrophobicContact CG1-CD2 4.12Å; V492-Y494 HydrophobicContact CG1-CE1 4.42Å; V492-Y494 HydrophobicContact CG1-CE2 3.69Å
493	F	92.5	Very high	73.9	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	136	169.8	-73.3	-103	0	0	0	109.9	V384 L385 A387 I394 A396 L410 S489 F495 I523	V384-F493 WeakPolarHBondContact CA-O 3.4Å; L385-F493 PolarHBondContact N-O 2.78Å; L385-F493 PolarHBondContact O-N 2.82Å; A387-F493 HydrophobicContact CB-CD2 3.5Å; A387-F493 VanDerWaalsContact CB-CD2 3.5Å; A387-F493 HydrophobicContact CB-CE2 3.32Å; I394-F493 HydrophobicContact CG2-CE1 3.81Å; I394-F493 HydrophobicContact CG2-CZ 3.65Å; A396-F493 HydrophobicContact CB-CE1 4.38Å; L410-F493 HydrophobicContact CD1-CB 4.14Å; L410-F493 HydrophobicContact CD1-CD1 3.78Å; L410-F493 HydrophobicContact CD1-CG 4.46Å; L410-F493 HydrophobicContact CD2-CD1 4.05Å; L410-F493 HydrophobicContact CD2-CE1 4.33Å; L410-F493 HydrophobicContact CG-CD1 4.22Å; S489-F493 WeakPolarHBondContact OG-CE2 3.48Å; F493-F495 HydrophobicContact CB-CD2 4.27Å; F493-F495 HydrophobicContact CB-CE2 3.69Å; F493-I523 HydrophobicContact CB-CD1 4.18Å; F493-I523 HydrophobicContact CD2-CD1 4.24Å; F493-I523 HydrophobicContact CD2-CG2 3.92Å; F493-I523 HydrophobicContact CE2-CG2 3.67Å; F493-I523 HydrophobicContact CG-CD1 4.26Å; F493-I523 HydrophobicContact CZ-CG2 4.08Å
494	Y	93.6	Very high	73.9	Confident	27 Å²	27	51.8 Å²	51.8	11%	0.106	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	113.6	177.1	-62.3	-95.9	0	0	0	108.2	L383 V384 L410 F411 V492 P499 S505 C507	L383-Y494 CarbonylContact O-C 3.59Å; L383-Y494 WeakPolarHBondContact O-CA 3.48Å; V384-Y494 HydrophobicContact CG1-CD1 4.32Å; V384-Y494 HydrophobicContact CG1-CE1 4.06Å; V384-Y494 HydrophobicContact CG2-CD1 3.7Å; V384-Y494 HydrophobicContact CG2-CE1 3.79Å; L410-Y494 CarbonylContact C-O 3.55Å; L410-Y494 VanDerWaalsContact CA-O 3.28Å; L410-Y494 WeakPolarHBondContact CA-O 3.24Å; L410-Y494 WeakPolarHBondContact CD1-O 3.49Å; F411-Y494 AromaticContact CD1-CD2 3.58Å; F411-Y494 HydrophobicContact CD1-CD2 3.58Å; F411-Y494 HydrophobicContact CD1-CE2 4.1Å; F411-Y494 HydrophobicContact CD1-CG 4.23Å; F411-Y494 HydrophobicContact CE1-CD2 4.23Å; F411-Y494 HydrophobicContact CE1-CE2 4.3Å; F411-Y494 PolarHBondContact N-O 2.98Å; F411-Y494 PolarHBondContact O-N 2.05Å; V492-Y494 HydrophobicContact CB-CE2 4.21Å; V492-Y494 HydrophobicContact CG1-CD2 4.12Å; V492-Y494 HydrophobicContact CG1-CE1 4.42Å; V492-Y494 HydrophobicContact CG1-CE2 3.69Å; Y494-P499 HydrophobicContact CD1-CG 4.27Å; Y494-P499 HydrophobicContact CE1-CG 3.91Å; Y494-S505 PolarHBondContact OH-OG 3.2Å; Y494-S505 VanDerWaalsContact OH-OG 3.05Å; Y494-C507 HydrophobicContact CD1-CB 4.48Å; Y494-C507 HydrophobicContact CD2-CB 4.47Å; Y494-C507 HydrophobicContact CE2-CB 4.45Å; Y494-C507 HydrophobicContact CG-CB 4.45Å
495	F	96.7	Very high	74.4	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	139.9	174.9	-69.1	-99.2	0	0	0	110.1	F376 Y382 L383 L385 F398 L409 L410 F493 G497 M518 I521 I523	F376-F495 WeakPolarHBondContact CE1-O 3.19Å; F376-F495 HydrophobicContact CZ-CB 4.31Å; Y382-F495 WeakPolarHBondContact CA-O 3.42Å; L383-F495 HydrophobicContact CB-CB 4.16Å; L383-F495 PolarHBondContact N-O 2.93Å; L383-F495 PolarHBondContact O-N 3.09Å; L385-F495 HydrophobicContact CD1-CD2 4.05Å; L385-F495 HydrophobicContact CD1-CE2 3.88Å; F398-F495 HydrophobicContact CD1-CD1 4.44Å; F398-F495 AromaticContact CD1-CE1 3.77Å; F398-F495 HydrophobicContact CD1-CE1 3.77Å; F398-F495 HydrophobicContact CE1-CE1 4.07Å; F398-F495 HydrophobicContact CG-CE1 4.41Å; L409-F495 VanDerWaalsContact O-CA 3.32Å; L409-F495 WeakPolarHBondContact O-CA 3.19Å; L410-F495 HydrophobicContact CD1-CD1 3.74Å; L410-F495 HydrophobicContact CD1-CD2 3.85Å; L410-F495 HydrophobicContact CD1-CE1 3.54Å; L410-F495 HydrophobicContact CD1-CE2 3.65Å; L410-F495 HydrophobicContact CD1-CG 3.89Å; L410-F495 HydrophobicContact CD1-CZ 3.5Å; L410-F495 VanDerWaalsContact CD1-CZ 3.5Å; F493-F495 HydrophobicContact CB-CD2 4.27Å; F493-F495 HydrophobicContact CB-CE2 3.69Å; F495-G497 PolarHBondContact O-N 3.01Å; F495-M518 HydrophobicContact CB-SD 4.3Å; F495-M518 HydrophobicContact CD1-SD 4.04Å; F495-I521 HydrophobicContact CD1-CG2 4.49Å; F495-I521 HydrophobicContact CE1-CG2 3.79Å; F495-I521 HydrophobicContact CE2-CG2 4.11Å; F495-I521 HydrophobicContact CZ-CG2 3.56Å; F495-I523 HydrophobicContact CE2-CD1 4.01Å; F495-I523 HydrophobicContact CE2-CG1 4.3Å; F495-I523 HydrophobicContact CZ-CD1 4.43Å; F495-I523 HydrophobicContact CZ-CG1 4.21Å
496	G	95.6	Very high	75.5	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	30%	0.301	C	S	.	.	S	Bend	trans	71.5	-30.8	174.2	0	0	0	0	0	116.5	S381 L408 L409 G513 F514	S381-G496 CarbonylContact O-C 3.36Å; L408-G496 CarbonylContact O-C 3.5Å; L408-G496 WeakPolarHBondContact O-CA 3.08Å; L409-G496 PolarHBondContact O-N 2.89Å; G496-G513 CarbonylContact O-C 3.59Å; G496-G513 WeakPolarHBondContact O-CA 3.5Å; G496-F514 PolarHBondContact O-N 2.74Å
497	G	93.6	Very high	76.8	Confident	1 Å²	1	48 Å²	48	1%	0.01	28%	0.284	C	S	.	.			trans	-170.4	-176.3	-175.9	0	0	0	0	0	113	S381 Y382 F495	S381-G497 WeakPolarHBondContact O-CA 3.32Å; S381-G497 PolarHBondContact O-N 2.81Å; Y382-G497 WeakPolarHBondContact CB-O 3.42Å; F495-G497 PolarHBondContact O-N 3.01Å
498	C	90.5	Very high	77.8	Confident	23 Å²	23	55.5 Å²	55.5	16%	0.155	32%	0.316	C	S	.	.			trans	-119.2	141.9	177.4	-58.9	0	0	0	0	109.7	C507 K508	C498-C507 HydrophobicContact CB-CB 3.66Å; C498-C507 WeakPolarHBondContact CB-SG 3.44Å; C498-C507 WeakPolarHBondContact SG-CB 3.19Å; C498-C507 CovalentContact SG-SG 2.03Å; C498-C507 PolarHBondContact SG-SG 3.25Å; C498-K508 VanDerWaalsContact SG-C 3.52Å; C498-K508 PolarHBondContact SG-N 3.3Å; C498-K508 VanDerWaalsContact SG-N 3.39Å
499	P	88.1	Confident	78.6	Confident	15 Å²	15	56.1 Å²	56.1	10%	0.097	32%	0.323	C	S	.	.			trans	-60.1	152.3	167.1	-18.9	29.9	0	0	0	111.6	Y382 V384 Y494 F503	Y382-P499 HydrophobicContact CD1-CB 4.43Å; Y382-P499 HydrophobicContact CD1-CG 4.3Å; Y382-P499 HydrophobicContact CD2-CG 4.09Å; Y382-P499 HydrophobicContact CE1-CB 3.93Å; Y382-P499 HydrophobicContact CE1-CG 4.08Å; Y382-P499 HydrophobicContact CE2-CB 4.47Å; Y382-P499 HydrophobicContact CE2-CG 3.89Å; Y382-P499 HydrophobicContact CG-CG 4.3Å; V384-P499 HydrophobicContact CG2-CG 3.99Å; Y494-P499 HydrophobicContact CD1-CG 4.27Å; Y494-P499 HydrophobicContact CE1-CG 3.91Å; P499-F503 HydrophobicContact CB-CD2 4Å
500	D	78.8	Confident	79.3	Confident	132 Å²	132	59.8 Å²	59.8	71%	0.706	35%	0.346	S	S	*	.			trans	-58.6	154.9	173.2	-73.6	-37.9	0	0	0	111.4	G502	D500-G502 PolarHBondContact O-N 2.8Å
501	K	64.9	Low	80.1	Confident	208 Å²	208	62.2 Å²	62.2	90%	0.904	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-53.8	-4.7	-168.9	-68.9	-178.3	179.7	175.1	0	116.5	F503	K501-F503 VanDerWaalsContact C-N 3.29Å; K501-F503 PolarHBondContact O-N 2.99Å
502	G	55.6	Low	80.5	Confident	77 Å²	77	63.1 Å²	63.1	79%	0.794	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-68.7	-14.7	178.9	0	0	0	0	0	115.9	D500	D500-G502 PolarHBondContact O-N 2.8Å
503	F	53.8	Low	80.7	Confident	146 Å²	146	61.2 Å²	61.2	64%	0.64	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-99.4	9.2	-172.2	-78	-79.1	0	0	0	116.1	P499 K501 S505	P499-F503 HydrophobicContact CB-CD2 4Å; K501-F503 VanDerWaalsContact C-N 3.29Å; K501-F503 PolarHBondContact O-N 2.99Å; F503-S505 PolarHBondContact O-N 2.7Å; F503-S505 VanDerWaalsContact O-N 3.12Å
504	G	56.8	Low	80.9	Confident	72 Å²	72	61.3 Å²	61.3	74%	0.742	35%	0.352	S	S	*	.			trans	67.2	8.8	-177.4	0	0	0	0	0	114.6
505	S	65.5	Low	81	Confident	29 Å²	29	61.3 Å²	61.3	20%	0.203	35%	0.353	C	S	.	.			trans	-72.7	136.6	177.6	-177.6	0	0	0	0	111.3	Y494 F503 C507	Y494-S505 PolarHBondContact OH-OG 3.2Å; Y494-S505 VanDerWaalsContact OH-OG 3.05Å; F503-S505 PolarHBondContact O-N 2.7Å; F503-S505 VanDerWaalsContact O-N 3.12Å; S505-C507 WeakPolarHBondContact OG-CB 3.31Å; S505-C507 PolarHBondContact OG-N 3.23Å; S505-C507 VanDerWaalsContact OG-N 3.14Å
506	K	76.3	Confident	81.1	Confident	141 Å²	141	61.3 Å²	61.3	61%	0.613	35%	0.353	S	S	*	.			trans	-87.3	5.1	169.6	-57.7	177.1	-178.8	170.1	0	112.2	E413 K508	E413-K506 WeakPolarHBondContact OE1-CA 3.39Å; E413-K506 VanDerWaalsContact OE1-CB 3.26Å; E413-K506 WeakPolarHBondContact OE1-CB 3.43Å; E413-K506 PolarHBondContact OE1-N 2.8Å; K506-K508 PolarHBondContact O-N 3.13Å
507	C	86.1	Confident	81.2	Confident	14 Å²	14	61.3 Å²	61.3	10%	0.095	35%	0.353	C	S	.	.			trans	-58	127.7	175.8	-169.8	0	0	0	0	110.5	F411 Y494 C498 S505	F411-C507 HydrophobicContact CD1-CB 3.56Å; F411-C507 WeakPolarHBondContact CD1-SG 3.14Å; F411-C507 HydrophobicContact CE1-CB 3.53Å; F411-C507 HydrophobicContact CG-CB 4.29Å; F411-C507 HydrophobicContact CZ-CB 4.23Å; Y494-C507 HydrophobicContact CD1-CB 4.48Å; Y494-C507 HydrophobicContact CD2-CB 4.47Å; Y494-C507 HydrophobicContact CE2-CB 4.45Å; Y494-C507 HydrophobicContact CG-CB 4.45Å; C498-C507 HydrophobicContact CB-CB 3.66Å; C498-C507 WeakPolarHBondContact CB-SG 3.44Å; C498-C507 WeakPolarHBondContact SG-CB 3.19Å; C498-C507 CovalentContact SG-SG 2.03Å; C498-C507 PolarHBondContact SG-SG 3.25Å; S505-C507 WeakPolarHBondContact OG-CB 3.31Å; S505-C507 PolarHBondContact OG-N 3.23Å; S505-C507 VanDerWaalsContact OG-N 3.14Å
508	K	82	Confident	81.4	Confident	165 Å²	165	61.3 Å²	61.3	72%	0.717	35%	0.352	S	S	*	.			trans	-127.7	138.3	173.8	-66.9	-177.7	-176.6	178.6	0	108.9	C498 K506 P510	C498-K508 VanDerWaalsContact SG-C 3.52Å; C498-K508 PolarHBondContact SG-N 3.3Å; C498-K508 VanDerWaalsContact SG-N 3.39Å; K506-K508 PolarHBondContact O-N 3.13Å; K508-P510 WeakPolarHBondContact O-CD 3.33Å
509	S	83.1	Confident	81.6	Confident	39 Å²	39	61.2 Å²	61.2	27%	0.273	35%	0.349	S	S	.	.			trans	-108	88.1	174.8	-169.6	0	0	0	0	109.7	L408 L511 G512 G513	L408-S509 WeakPolarHBondContact CB-OG 3.44Å; S509-L511 VanDerWaalsContact C-N 3.27Å; S509-L511 PolarHBondContact O-N 2.69Å; S509-G512 PolarHBondContact O-N 3.32Å; S509-G512 WeakPolarHBondContact OG-CA 3.4Å; S509-G512 PolarHBondContact OG-O 3.11Å; S509-G513 PolarHBondContact OG-N 3.38Å
510	P	79.8	Confident	81.9	Confident	82 Å²	82	63.7 Å²	63.7	53%	0.532	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-26.9	-173	25.8	-34.4	0	0	0	113.6	L422 L424 K508	L422-P510 HydrophobicContact CD2-CG 4.25Å; L424-P510 HydrophobicContact CD1-CG 4.17Å; L424-P510 HydrophobicContact CD2-CG 3.93Å; K508-P510 WeakPolarHBondContact O-CD 3.33Å
511	L	81.7	Confident	82.7	Confident	78 Å²	78	57.5 Å²	57.5	41%	0.408	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	12.4	-179.3	-63.4	178.8	0	0	0	113.1	A406 L424 L425 S509	A406-L511 HydrophobicContact CB-CB 4.44Å; A406-L511 HydrophobicContact CB-CD1 4.37Å; L424-L511 HydrophobicContact CB-CD1 4.35Å; L424-L511 HydrophobicContact CD1-CD1 4.42Å; L424-L511 HydrophobicContact CD2-CD1 4.31Å; L424-L511 HydrophobicContact CD2-CG 4.49Å; L425-L511 WeakPolarHBondContact O-CD1 3.46Å; S509-L511 VanDerWaalsContact C-N 3.27Å; S509-L511 PolarHBondContact O-N 2.69Å
512	G	88	Confident	84.1	Confident	31 Å²	31	48.3 Å²	48.3	32%	0.32	29%	0.289	S	S	.	.			trans	77.8	163.8	-169.6	0	0	0	0	0	113.1	L408 S509	L408-G512 PolarHBondContact N-O 3.03Å; S509-G512 PolarHBondContact O-N 3.32Å; S509-G512 WeakPolarHBondContact OG-CA 3.4Å; S509-G512 PolarHBondContact OG-O 3.11Å
513	G	92.1	Very high	85.9	Confident	6 Å²	6	45.2 Å²	45.2	6%	0.062	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-70	151.7	178.9	0	0	0	0	0	112.9	P379 G496 S509	P379-G513 WeakPolarHBondContact O-CA 3.23Å; P379-G513 PolarHBondContact O-N 3.21Å; P379-G513 VanDerWaalsContact O-N 3.08Å; G496-G513 CarbonylContact O-C 3.59Å; G496-G513 WeakPolarHBondContact O-CA 3.5Å; S509-G513 PolarHBondContact OG-N 3.38Å
514	F	96.4	Very high	87.5	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.009	23%	0.229	C	C	.	.			trans	-63.1	135.4	170.4	171.7	-104.1	0	0	0	111.2	F376 F400 T402 L408 L409 G496 G516 M518	F376-F514 HydrophobicContact CB-CD1 3.86Å; F376-F514 HydrophobicContact CB-CE1 4.28Å; F376-F514 VanDerWaalsContact CB-O 3.3Å; F376-F514 WeakPolarHBondContact CB-O 3.24Å; F376-F514 HydrophobicContact CD1-CD1 4.23Å; F376-F514 AromaticContact CD2-CD1 3.76Å; F376-F514 HydrophobicContact CD2-CD1 3.76Å; F376-F514 AromaticContact CD2-CE1 3.75Å; F376-F514 HydrophobicContact CD2-CE1 3.75Å; F376-F514 HydrophobicContact CE2-CD1 4.39Å; F376-F514 HydrophobicContact CE2-CE1 4.38Å; F376-F514 AromaticContact CG-CD1 3.68Å; F376-F514 HydrophobicContact CG-CD1 3.68Å; F376-F514 HydrophobicContact CG-CE1 4.12Å; F400-F514 HydrophobicContact CB-CZ 4.12Å; F400-F514 AromaticContact CD2-CE2 3.77Å; F400-F514 HydrophobicContact CD2-CE2 3.77Å; F400-F514 HydrophobicContact CD2-CZ 4.13Å; T402-F514 HydrophobicContact CG2-CE2 3.89Å; L408-F514 WeakPolarHBondContact O-CB 3.28Å; L409-F514 HydrophobicContact CD2-CB 4.18Å; L409-F514 HydrophobicContact CD2-CD1 4.47Å; L409-F514 HydrophobicContact CD2-CD2 3.27Å; L409-F514 HydrophobicContact CD2-CE2 3.61Å; L409-F514 HydrophobicContact CD2-CG 3.75Å; L409-F514 HydrophobicContact CD2-CZ 4.35Å; G496-F514 PolarHBondContact O-N 2.74Å; F514-G516 VanDerWaalsContact CE1-C 3.43Å; F514-M518 HydrophobicContact CD1-CE 3.58Å; F514-M518 HydrophobicContact CE1-CE 3.72Å; F514-M518 HydrophobicContact CE1-CG 3.82Å; F514-M518 HydrophobicContact CG-CE 4.03Å; F514-M518 HydrophobicContact CZ-CE 4.28Å; F514-M518 HydrophobicContact CZ-CG 4.34Å
515	Q	96.8	Very high	89	Confident	27 Å²	27	42.3 Å²	42.3	13%	0.126	23%	0.229	C	C	.	.			trans	-119.5	135.4	163.8	-62.4	173.1	-79.1	0	0	107.7	F376 L377 P379 T402 N404 W570	F376-Q515 WeakPolarHBondContact O-CA 2.77Å; L377-Q515 PolarHBondContact O-NE2 3.01Å; L377-Q515 VanDerWaalsContact O-NE2 3.11Å; P379-Q515 HydrophobicContact CG-CG 4.39Å; T402-Q515 WeakPolarHBondContact CB-O 3.27Å; T402-Q515 PolarHBondContact OG1-O 2.98Å; N404-Q515 PolarHBondContact ND2-OE1 3.42Å; Q515-W570 HydrophobicContact CB-CB 3.98Å; Q515-W570 HydrophobicContact CB-CD2 3.7Å; Q515-W570 HydrophobicContact CB-CE3 4.23Å; Q515-W570 HydrophobicContact CB-CG 3.55Å; Q515-W570 HydrophobicContact CG-CG 4.32Å
516	G	97.1	Very high	90.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	144	-165	-169	0	0	0	0	0	111	F376 R401 F514	F376-G516 PolarHBondContact N-O 3.33Å; F376-G516 PolarHBondContact O-N 2.82Å; R401-G516 WeakPolarHBondContact O-CA 3.45Å; F514-G516 VanDerWaalsContact CE1-C 3.43Å
517	C	97.7	Very high	91	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	146.9	180	-54.3	0	0	0	0	112	L374 F400 R401 W455 C549	L374-C517 CarbonylContact O-C 3.53Å; L374-C517 WeakPolarHBondContact O-CA 3.36Å; F400-C517 CarbonylContact C-O 3.54Å; F400-C517 WeakPolarHBondContact CA-O 3.44Å; F400-C517 WeakPolarHBondContact CB-O 3.44Å; R401-C517 HydrophobicContact CG-CB 4.06Å; R401-C517 PolarHBondContact N-O 2.59Å; R401-C517 PolarHBondContact O-N 2.91Å; W455-C517 HydrophobicContact CH2-CB 3.54Å; W455-C517 HydrophobicContact CZ2-CB 4.19Å; W455-C517 HydrophobicContact CZ3-CB 4.18Å; C517-C549 HydrophobicContact CB-CB 3.85Å; C517-C549 WeakPolarHBondContact CB-SG 3.23Å; C517-C549 WeakPolarHBondContact SG-CA 3.2Å; C517-C549 WeakPolarHBondContact SG-CB 3.38Å; C517-C549 CovalentContact SG-SG 2.03Å; C517-C549 PolarHBondContact SG-SG 3.42Å
518	M	97.7	Very high	91.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	148.3	167.2	-61.6	-172	-177.8	0	0	111.3	P373 L374 F376 F398 Q399 F400 L409 F495 F514 I521	P373-M518 WeakPolarHBondContact CA-O 3.04Å; L374-M518 PolarHBondContact N-O 2.99Å; L374-M518 PolarHBondContact O-N 2.05Å; F376-M518 HydrophobicContact CD2-CG 4.31Å; F376-M518 HydrophobicContact CE2-CB 3.98Å; F376-M518 HydrophobicContact CE2-CE 4.41Å; F376-M518 HydrophobicContact CE2-CG 3.71Å; F376-M518 HydrophobicContact CE2-SD 3.84Å; F376-M518 HydrophobicContact CZ-CE 4.46Å; F376-M518 HydrophobicContact CZ-CG 4.43Å; F376-M518 HydrophobicContact CZ-SD 3.96Å; F398-M518 HydrophobicContact CD2-SD 4.21Å; F398-M518 HydrophobicContact CE2-CE 4.33Å; F398-M518 HydrophobicContact CE2-SD 4.34Å; Q399-M518 CarbonylContact O-C 3.54Å; Q399-M518 WeakPolarHBondContact O-CA 3.49Å; F400-M518 HydrophobicContact CB-CG 4.08Å; L409-M518 HydrophobicContact CB-CE 4.33Å; L409-M518 HydrophobicContact CD2-CE 3.63Å; F495-M518 HydrophobicContact CB-SD 4.3Å; F495-M518 HydrophobicContact CD1-SD 4.04Å; F514-M518 HydrophobicContact CD1-CE 3.58Å; F514-M518 HydrophobicContact CE1-CE 3.72Å; F514-M518 HydrophobicContact CE1-CG 3.82Å; F514-M518 HydrophobicContact CG-CE 4.03Å; F514-M518 HydrophobicContact CZ-CE 4.28Å; F514-M518 HydrophobicContact CZ-CG 4.34Å; M518-I521 HydrophobicContact CB-CD1 4.31Å
519	R	95.1	Very high	91.8	Very high	22 Å²	22	45 Å²	45	8%	0.083	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	173.6	172.1	69	-177.8	-174	-167.5	1.5	111	M217 P373 Q399 W455 I521	M217-R519 PolarHBondContact SD-NH1 3.12Å; P373-R519 HydrophobicContact CB-CB 4.33Å; Q399-R519 HydrophobicContact CB-CG 3.86Å; Q399-R519 PolarHBondContact N-O 2.67Å; Q399-R519 PolarHBondContact O-N 2.77Å; W455-R519 HydrophobicContact CE3-CG 4.17Å; W455-R519 HydrophobicContact CH2-CB 4.21Å; W455-R519 HydrophobicContact CH2-CG 3.8Å; W455-R519 HydrophobicContact CZ2-CG 4.4Å; W455-R519 HydrophobicContact CZ3-CB 4.35Å; W455-R519 HydrophobicContact CZ3-CG 3.68Å; R519-I521 PolarHBondContact O-N 3.19Å
520	L	94.2	Very high	92.2	Very high	66 Å²	66	43.8 Å²	43.8	35%	0.346	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	53.5	37.8	178	-60.2	176.5	0	0	0	113.1	Q399 S522 M527	Q399-L520 HydrophobicContact CG-CD1 4.25Å; L520-S522 PolarHBondContact O-N 2.75Å; L520-M527 HydrophobicContact CD2-CE 4.29Å
521	I	96	Very high	92.5	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.015	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	122	-179.6	-54.9	177	0	0	0	108.7	L374 L383 L385 S397 F398 F495 M518 R519 V528	L374-I521 HydrophobicContact CD1-CD1 3.88Å; L383-I521 HydrophobicContact CD2-CD1 4.07Å; L385-I521 HydrophobicContact CD1-CG2 4.27Å; S397-I521 CarbonylContact O-C 3.46Å; S397-I521 WeakPolarHBondContact O-CA 3.26Å; F398-I521 HydrophobicContact CB-CB 4.45Å; F398-I521 HydrophobicContact CB-CG1 4Å; F495-I521 HydrophobicContact CD1-CG2 4.49Å; F495-I521 HydrophobicContact CE1-CG2 3.79Å; F495-I521 HydrophobicContact CE2-CG2 4.11Å; F495-I521 HydrophobicContact CZ-CG2 3.56Å; M518-I521 HydrophobicContact CB-CD1 4.31Å; R519-I521 PolarHBondContact O-N 3.19Å; I521-V528 HydrophobicContact CB-CB 4.39Å; I521-V528 HydrophobicContact CB-CG2 4.26Å; I521-V528 HydrophobicContact CG2-CB 4.46Å; I521-V528 HydrophobicContact CG2-CG2 3.83Å; I521-V528 WeakPolarHBondContact O-CG2 3.23Å; I521-V528 PolarHBondContact O-N 3.42Å
522	S	94.8	Very high	92.9	Very high	14 Å²	14	40.9 Å²	40.9	10%	0.098	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	136.4	170.1	94.6	0	0	0	0	109.9	A396 S397 L520 K526	A396-S522 CarbonylContact C-O 3.58Å; A396-S522 VanDerWaalsContact CA-O 3.32Å; A396-S522 WeakPolarHBondContact CA-O 3.48Å; S397-S522 PolarHBondContact N-O 2.89Å; S397-S522 PolarHBondContact O-N 3.16Å; S397-S522 PolarHBondContact OG-OG 3.16Å; L520-S522 PolarHBondContact O-N 2.75Å; S522-K526 VanDerWaalsContact CA-O 3.24Å; S522-K526 WeakPolarHBondContact CA-O 3.24Å
523	I	92.9	Very high	93	Very high	12 Å²	12	39.4 Å²	39.4	6%	0.062	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128	172.8	-61.7	170.6	0	0	0	105	L385 A387 F493 F495 N525 K526 V528	L385-I523 HydrophobicContact CB-CD1 3.66Å; L385-I523 HydrophobicContact CD1-CD1 3.88Å; L385-I523 HydrophobicContact CG-CD1 4.44Å; A387-I523 HydrophobicContact CB-CG2 3.97Å; F493-I523 HydrophobicContact CB-CD1 4.18Å; F493-I523 HydrophobicContact CD2-CD1 4.24Å; F493-I523 HydrophobicContact CD2-CG2 3.92Å; F493-I523 HydrophobicContact CE2-CG2 3.67Å; F493-I523 HydrophobicContact CG-CD1 4.26Å; F493-I523 HydrophobicContact CZ-CG2 4.08Å; F495-I523 HydrophobicContact CE2-CD1 4.01Å; F495-I523 HydrophobicContact CE2-CG1 4.3Å; F495-I523 HydrophobicContact CZ-CD1 4.43Å; F495-I523 HydrophobicContact CZ-CG1 4.21Å; I523-N525 PolarHBondContact O-N 2.93Å; I523-K526 PolarHBondContact N-O 3.42Å; I523-K526 WeakPolarHBondContact O-CB 3.42Å; I523-K526 PolarHBondContact O-N 2.97Å; I523-V528 HydrophobicContact CD1-CG2 4.16Å; I523-V528 HydrophobicContact CG1-CG2 4.22Å
524	N	87.9	Confident	92.7	Very high	19 Å²	19	41.8 Å²	41.8	10%	0.102	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	40.8	177.3	-67.8	-3.9	0	0	0	112.8	E391 S395 K526	E391-N524 VanDerWaalsContact CD-CB 3.41Å; E391-N524 WeakPolarHBondContact OE1-CB 3.11Å; E391-N524 VanDerWaalsContact OE1-CG 3.32Å; E391-N524 PolarHBondContact OE1-ND2 3.48Å; E391-N524 WeakPolarHBondContact OE2-CB 3.27Å; E391-N524 PolarHBondContact OE2-ND2 3.3Å; E391-N524 VanDerWaalsContact OE2-ND2 3.09Å; S395-N524 PolarHBondContact N-OD1 3.11Å; S395-N524 PolarHBondContact O-N 2.86Å; S395-N524 PolarHBondContact O-OD1 3.46Å; S395-N524 VanDerWaalsContact OG-CA 3.25Å; S395-N524 WeakPolarHBondContact OG-CA 3.37Å; N524-K526 PolarHBondContact O-N 2.75Å
525	N	87.6	Confident	92.2	Very high	138 Å²	138	48.8 Å²	48.8	74%	0.738	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	12.1	-174.7	-58	-10.2	0	0	0	115.3	S395 I523	S395-N525 PolarHBondContact OG-OD1 2.89Å; I523-N525 PolarHBondContact O-N 2.93Å
526	K	91.4	Very high	91.5	Very high	166 Å²	166	50.2 Å²	50.2	72%	0.722	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.9	121.1	172.5	-171	178.4	178.6	-177.4	0	109.6	S522 I523 N524 V528	S522-K526 VanDerWaalsContact CA-O 3.24Å; S522-K526 WeakPolarHBondContact CA-O 3.24Å; I523-K526 PolarHBondContact N-O 3.42Å; I523-K526 WeakPolarHBondContact O-CB 3.42Å; I523-K526 PolarHBondContact O-N 2.97Å; N524-K526 PolarHBondContact O-N 2.75Å; K526-V528 PolarHBondContact O-N 3.27Å
527	M	92.5	Very high	91.2	Very high	130 Å²	130	54.1 Å²	54.1	64%	0.64	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.6	134.6	175.3	-168.9	174	-71.2	0	0	110.2	L520	L520-M527 HydrophobicContact CD2-CE 4.29Å
528	V	93.7	Very high	90.9	Very high	22 Å²	22	56.3 Å²	56.3	13%	0.133	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-78.6	130.9	179.3	177.8	0	0	0	0	109.3	L385 I521 I523 K526 L530 V533 L538	L385-V528 HydrophobicContact CD1-CB 4.41Å; L385-V528 HydrophobicContact CD1-CG1 3.82Å; L385-V528 HydrophobicContact CD1-CG2 3.85Å; L385-V528 HydrophobicContact CD2-CG1 3.82Å; L385-V528 HydrophobicContact CG-CG1 4.48Å; I521-V528 HydrophobicContact CB-CB 4.39Å; I521-V528 HydrophobicContact CB-CG2 4.26Å; I521-V528 HydrophobicContact CG2-CB 4.46Å; I521-V528 HydrophobicContact CG2-CG2 3.83Å; I521-V528 WeakPolarHBondContact O-CG2 3.23Å; I521-V528 PolarHBondContact O-N 3.42Å; I523-V528 HydrophobicContact CD1-CG2 4.16Å; I523-V528 HydrophobicContact CG1-CG2 4.22Å; K526-V528 PolarHBondContact O-N 3.27Å; V528-L530 HydrophobicContact CG1-CD2 3.98Å; V528-L530 PolarHBondContact O-N 3.41Å; V528-V533 HydrophobicContact CG1-CG2 4.42Å; V528-L538 HydrophobicContact CG1-CD2 4.05Å
529	D	92	Very high	90.7	Very high	89 Å²	89	58.2 Å²	58.2	48%	0.476	33%	0.329	S	S	.	.			trans	-80.3	97.3	173	-176.5	-2.6	0	0	0	110.3	I531 A532 V533	D529-I531 PolarHBondContact O-N 2.79Å; D529-I531 VanDerWaalsContact OD1-CB 3.3Å; D529-I531 WeakPolarHBondContact OD1-CB 3.26Å; D529-I531 PolarHBondContact OD1-N 2.82Å; D529-A532 HydrophobicContact CB-CB 4.19Å; D529-A532 PolarHBondContact O-N 3.32Å; D529-A532 PolarHBondContact OD1-N 2.89Å; D529-V533 PolarHBondContact O-N 2.88Å
530	L	90.5	Very high	90.5	Very high	13 Å²	13	60.6 Å²	60.6	7%	0.068	34%	0.344	C	S	.	.	H	α-helix	trans	-72.4	-16.5	-179.9	-64.5	179.3	0	0	0	113.4	M372 L374 V528 V533 Q534	M372-L530 HydrophobicContact CB-CD1 4.21Å; M372-L530 HydrophobicContact CE-CB 4.42Å; M372-L530 HydrophobicContact CG-CB 4.28Å; M372-L530 HydrophobicContact CG-CD1 4.45Å; M372-L530 WeakPolarHBondContact O-CD1 3.36Å; M372-L530 HydrophobicContact SD-CB 3.63Å; L374-L530 HydrophobicContact CD1-CD1 4.18Å; L374-L530 HydrophobicContact CD1-CD2 3.8Å; L374-L530 HydrophobicContact CD2-CD1 4.16Å; L374-L530 HydrophobicContact CD2-CD2 4.3Å; L374-L530 HydrophobicContact CG-CD1 3.95Å; L374-L530 HydrophobicContact CG-CD2 4.32Å; V528-L530 HydrophobicContact CG1-CD2 3.98Å; V528-L530 PolarHBondContact O-N 3.41Å; L530-V533 HydrophobicContact CD2-CG2 4.19Å; L530-V533 WeakPolarHBondContact O-CB 3.36Å; L530-V533 PolarHBondContact O-N 3.18Å; L530-Q534 PolarHBondContact O-N 3.04Å
531	I	86.6	Confident	90.5	Very high	82 Å²	82	59.5 Å²	59.5	42%	0.421	34%	0.336	S	S	.	.	H	α-helix	trans	-69.9	-44.1	173	-59	172.6	0	0	0	109	M372 D529 V533 Q534 Q535	M372-I531 HydrophobicContact SD-CG1 3.94Å; D529-I531 PolarHBondContact O-N 2.79Å; D529-I531 VanDerWaalsContact OD1-CB 3.3Å; D529-I531 WeakPolarHBondContact OD1-CB 3.26Å; D529-I531 PolarHBondContact OD1-N 2.82Å; I531-V533 PolarHBondContact O-N 3.43Å; I531-Q534 WeakPolarHBondContact O-CB 3.46Å; I531-Q534 PolarHBondContact O-N 2.87Å; I531-Q534 VanDerWaalsContact O-N 3.17Å; I531-Q535 WeakPolarHBondContact O-CG 3.18Å; I531-Q535 PolarHBondContact O-N 2.74Å
532	A	90.2	Very high	90.3	Very high	16 Å²	16	60.9 Å²	60.9	13%	0.132	35%	0.346	C	S	.	.	H	α-helix	trans	-61.8	-33.1	174.1	0	0	0	0	0	112.2	D529 G536 A537 L538	D529-A532 HydrophobicContact CB-CB 4.19Å; D529-A532 PolarHBondContact O-N 3.32Å; D529-A532 PolarHBondContact OD1-N 2.89Å; A532-G536 PolarHBondContact O-N 3.34Å; A532-A537 HydrophobicContact CB-CB 4.43Å; A532-A537 PolarHBondContact O-N 3.46Å; A532-L538 HydrophobicContact CB-CB 3.76Å; A532-L538 HydrophobicContact CB-CD2 4.44Å; A532-L538 PolarHBondContact O-N 2.84Å; A532-L538 VanDerWaalsContact O-N 3.08Å
533	V	90.5	Very high	90.1	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.006	35%	0.348	C	S	.	.	H	α-helix	trans	-65	-48.7	172.5	179.1	0	0	0	0	110.8	L383 L385 V528 D529 L530 I531 Q535 G536 L538 F541 I546	L383-V533 HydrophobicContact CD1-CG1 3.79Å; L385-V533 HydrophobicContact CD2-CG2 3.96Å; V528-V533 HydrophobicContact CG1-CG2 4.42Å; D529-V533 PolarHBondContact O-N 2.88Å; L530-V533 HydrophobicContact CD2-CG2 4.19Å; L530-V533 WeakPolarHBondContact O-CB 3.36Å; L530-V533 PolarHBondContact O-N 3.18Å; I531-V533 PolarHBondContact O-N 3.43Å; V533-Q535 PolarHBondContact O-N 3.18Å; V533-G536 PolarHBondContact O-N 2.77Å; V533-L538 WeakPolarHBondContact CA-O 3.32Å; V533-L538 HydrophobicContact CG2-CB 4.16Å; V533-L538 HydrophobicContact CG2-CD2 4.09Å; V533-L538 HydrophobicContact CG2-CG 4.16Å; V533-F541 HydrophobicContact CG1-CD1 3.83Å; V533-F541 HydrophobicContact CG1-CE1 4.2Å; V533-F541 WeakPolarHBondContact O-CE1 3.3Å; V533-I546 HydrophobicContact CG1-CD1 4.33Å
534	Q	85.3	Confident	90.1	Very high	56 Å²	56	61.3 Å²	61.3	26%	0.262	35%	0.347	S	S	.	.	H	α-helix	trans	-58.7	-36.5	178.5	-167.8	179.4	-36.2	0	0	112.8	L530 I531 G536 I546	L530-Q534 PolarHBondContact O-N 3.04Å; I531-Q534 WeakPolarHBondContact O-CB 3.46Å; I531-Q534 PolarHBondContact O-N 2.87Å; I531-Q534 VanDerWaalsContact O-N 3.17Å; Q534-G536 PolarHBondContact O-N 2.76Å; Q534-I546 HydrophobicContact CB-CD1 4.02Å; Q534-I546 HydrophobicContact CB-CG2 3.91Å; Q534-I546 HydrophobicContact CG-CB 4.37Å; Q534-I546 HydrophobicContact CG-CD1 4.2Å; Q534-I546 HydrophobicContact CG-CG2 4.06Å
535	Q	85	Confident	90.3	Very high	148 Å²	148	62 Å²	62	69%	0.692	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-3.3	178.2	-67.7	173.3	-7.6	0	0	113.4	I531 V533 A537	I531-Q535 WeakPolarHBondContact O-CG 3.18Å; I531-Q535 PolarHBondContact O-N 2.74Å; V533-Q535 PolarHBondContact O-N 3.18Å; Q535-A537 PolarHBondContact O-N 2.8Å
536	G	83.5	Confident	90.5	Very high	57 Å²	57	56.4 Å²	56.4	59%	0.588	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	12.4	-176.2	0	0	0	0	0	114.2	A532 V533 Q534	A532-G536 PolarHBondContact O-N 3.34Å; V533-G536 PolarHBondContact O-N 2.77Å; Q534-G536 PolarHBondContact O-N 2.76Å
537	A	90.1	Very high	90.5	Very high	82 Å²	82	48.9 Å²	48.9	68%	0.678	29%	0.288	S	S	*	.	S	Bend	trans	-84.6	-20.6	178.5	0	0	0	0	0	112.8	A532 Q535	A532-A537 HydrophobicContact CB-CB 4.43Å; A532-A537 PolarHBondContact O-N 3.46Å; Q535-A537 PolarHBondContact O-N 2.8Å
538	L	92.4	Very high	90.4	Very high	46 Å²	46	42.8 Å²	42.8	24%	0.241	26%	0.258	C	S	.	.	S	Bend	trans	-130.8	125	-180	-179.1	63.6	0	0	0	111.7	L385 P386 V528 A532 V533	L385-L538 HydrophobicContact CD2-CD2 4.35Å; L385-L538 HydrophobicContact CD2-CG 4.21Å; P386-L538 HydrophobicContact CG-CD1 3.63Å; V528-L538 HydrophobicContact CG1-CD2 4.05Å; A532-L538 HydrophobicContact CB-CB 3.76Å; A532-L538 HydrophobicContact CB-CD2 4.44Å; A532-L538 PolarHBondContact O-N 2.84Å; A532-L538 VanDerWaalsContact O-N 3.08Å; V533-L538 WeakPolarHBondContact CA-O 3.32Å; V533-L538 HydrophobicContact CG2-CB 4.16Å; V533-L538 HydrophobicContact CG2-CD2 4.09Å; V533-L538 HydrophobicContact CG2-CG 4.16Å
539	G	91.9	Very high	90.5	Very high	40 Å²	40	43 Å²	43	41%	0.412	26%	0.26	S	S	.	.			trans	71.2	-166.3	172.6	0	0	0	0	0	114.3	V384	V384-G539 CarbonylContact O-C 3.48Å; V384-G539 WeakPolarHBondContact O-CA 3.48Å
540	N	91.7	Very high	90.3	Very high	73 Å²	73	39.6 Å²	39.6	39%	0.39	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	147	176.7	-171	7.2	0	0	0	109.3	V384	V384-N540 HydrophobicContact CB-CB 4.34Å; V384-N540 WeakPolarHBondContact CB-O 3.47Å; V384-N540 PolarHBondContact N-O 2.8Å; V384-N540 PolarHBondContact O-N 2.89Å
541	F	93.2	Very high	90.4	Very high	43 Å²	43	39.3 Å²	39.3	19%	0.189	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	162.4	-177.2	64.7	-90.9	0	0	0	112.7	Y80 Y382 L383 V533 L544 I546	Y80-F541 HydrophobicContact CD1-CE2 4.36Å; Y80-F541 HydrophobicContact CE1-CE2 4.12Å; Y382-F541 VanDerWaalsContact O-CA 3.25Å; Y382-F541 WeakPolarHBondContact O-CA 3.44Å; Y382-F541 WeakPolarHBondContact O-CB 3.12Å; L383-F541 HydrophobicContact CD1-CB 4.14Å; V533-F541 HydrophobicContact CG1-CD1 3.83Å; V533-F541 HydrophobicContact CG1-CE1 4.2Å; V533-F541 WeakPolarHBondContact O-CE1 3.3Å; F541-L544 HydrophobicContact CB-CD1 3.52Å; F541-L544 HydrophobicContact CB-CG 4.08Å; F541-L544 HydrophobicContact CD2-CB 4.06Å; F541-L544 HydrophobicContact CD2-CD1 4.26Å; F541-L544 HydrophobicContact CD2-CG 4.23Å; F541-L544 HydrophobicContact CG-CD1 4.1Å; F541-I546 HydrophobicContact CE1-CD1 4.03Å; F541-I546 HydrophobicContact CE2-CD1 4.14Å; F541-I546 HydrophobicContact CZ-CD1 3.82Å
542	S	92.2	Very high	90.6	Very high	32 Å²	32	36.5 Å²	36.5	22%	0.224	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	145.8	170.9	-173.2	0	0	0	0	110.1	S381 Y382 L544	S381-S542 VanDerWaalsContact CA-O 3.3Å; S381-S542 WeakPolarHBondContact CA-O 3.08Å; Y382-S542 PolarHBondContact N-O 2.81Å; Y382-S542 PolarHBondContact O-N 2.72Å; Y382-S542 VanDerWaalsContact O-N 3.11Å; S542-L544 VanDerWaalsContact C-N 3.26Å; S542-L544 PolarHBondContact O-N 3.49Å
543	D	91.2	Very high	90.6	Very high	27 Å²	27	36.9 Å²	36.9	14%	0.144	23%	0.231	C	C	.	.	S	Bend	trans	51.7	40.2	175.8	-66.8	-4.3	0	0	0	113.9	K79 Y80 L377 S378 S381	K79-D543 IonicContact NZ-OD1 3.87Å; K79-D543 PolarHBondContact NZ-OD1 3.27Å; Y80-D543 PolarHBondContact OH-N 3.38Å; L377-D543 WeakPolarHBondContact CB-O 3.45Å; L377-D543 PolarHBondContact N-O 2.82Å; S378-D543 PolarHBondContact OG-OD2 2.86Å; S381-D543 WeakPolarHBondContact OG-CB 3.47Å; S381-D543 PolarHBondContact OG-O 2.87Å
544	L	93.1	Very high	90.6	Very high	7 Å²	7	38.9 Å²	38.9	4%	0.037	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	139.4	174.5	-57.4	-174	0	0	0	111.7	T375 F376 L383 F541 S542 I546	T375-L544 VanDerWaalsContact O-CA 3.32Å; T375-L544 WeakPolarHBondContact O-CA 3.42Å; F376-L544 HydrophobicContact CB-CD2 4.31Å; F376-L544 HydrophobicContact CD1-CD2 3.43Å; F376-L544 VanDerWaalsContact CD1-CD2 3.43Å; F376-L544 HydrophobicContact CD2-CD2 4.16Å; F376-L544 HydrophobicContact CE1-CD2 3.61Å; F376-L544 HydrophobicContact CE2-CD2 4.32Å; F376-L544 HydrophobicContact CG-CD2 3.71Å; F376-L544 HydrophobicContact CZ-CD2 4.07Å; L383-L544 HydrophobicContact CB-CD1 3.85Å; L383-L544 HydrophobicContact CD1-CD1 4.38Å; F541-L544 HydrophobicContact CB-CD1 3.52Å; F541-L544 HydrophobicContact CB-CG 4.08Å; F541-L544 HydrophobicContact CD2-CB 4.06Å; F541-L544 HydrophobicContact CD2-CD1 4.26Å; F541-L544 HydrophobicContact CD2-CG 4.23Å; F541-L544 HydrophobicContact CG-CD1 4.1Å; S542-L544 VanDerWaalsContact C-N 3.26Å; S542-L544 PolarHBondContact O-N 3.49Å; L544-I546 HydrophobicContact CB-CG1 4.41Å
545	Q	91.5	Very high	90.9	Very high	34 Å²	34	37.3 Å²	37.3	16%	0.159	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	113.7	161.9	-156.1	-178.8	-43.8	0	0	108.5	T375 L377 S548	T375-Q545 PolarHBondContact N-O 3.14Å; T375-Q545 PolarHBondContact O-N 2.86Å; L377-Q545 HydrophobicContact CD1-CB 4.34Å; L377-Q545 HydrophobicContact CD2-CB 4.36Å; L377-Q545 HydrophobicContact CG-CB 4.47Å; Q545-S548 VanDerWaalsContact CD-OG 3.29Å; Q545-S548 WeakPolarHBondContact CG-OG 3.4Å; Q545-S548 PolarHBondContact NE2-OG 3.37Å
546	I	91.3	Very high	90.9	Very high	21 Å²	21	33 Å²	33	11%	0.108	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	145.2	-175.1	-60.1	174.8	0	0	0	109.5	M372 L374 V533 Q534 F541 L544 S548	M372-I546 HydrophobicContact CE-CG2 3.26Å; L374-I546 HydrophobicContact CD2-CB 4.09Å; L374-I546 HydrophobicContact CD2-CG1 3.86Å; L374-I546 HydrophobicContact CD2-CG2 3.86Å; V533-I546 HydrophobicContact CG1-CD1 4.33Å; Q534-I546 HydrophobicContact CB-CD1 4.02Å; Q534-I546 HydrophobicContact CB-CG2 3.91Å; Q534-I546 HydrophobicContact CG-CB 4.37Å; Q534-I546 HydrophobicContact CG-CD1 4.2Å; Q534-I546 HydrophobicContact CG-CG2 4.06Å; F541-I546 HydrophobicContact CE1-CD1 4.03Å; F541-I546 HydrophobicContact CE2-CD1 4.14Å; F541-I546 HydrophobicContact CZ-CD1 3.82Å; L544-I546 HydrophobicContact CB-CG1 4.41Å; I546-S548 VanDerWaalsContact C-N 3.34Å; I546-S548 PolarHBondContact O-N 2.97Å
547	D	91.5	Very high	90.9	Very high	8 Å²	8	33.8 Å²	33.8	4%	0.043	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	34.4	179.7	-155.8	11.5	0	0	0	114.5	R120 N121 W122 M372 P373	R120-D547 WeakPolarHBondContact CA-OD2 3.19Å; N121-D547 CarbonylContact C-O 3.19Å; N121-D547 WeakPolarHBondContact CA-O 2.97Å; N121-D547 VanDerWaalsContact N-CG 3.3Å; N121-D547 PolarHBondContact N-OD1 3.06Å; N121-D547 PolarHBondContact N-OD2 3.46Å; W122-D547 PolarHBondContact N-O 2.63Å; M372-D547 HydrophobicContact CE-CB 3.5Å; M372-D547 VanDerWaalsContact CE-CB 3.5Å; M372-D547 HydrophobicContact CG-CB 3.95Å; M372-D547 WeakPolarHBondContact CG-OD1 3.38Å; P373-D547 CarbonylContact O-C 3.58Å; P373-D547 VanDerWaalsContact O-CA 3.26Å; P373-D547 WeakPolarHBondContact O-CA 3.45Å; P373-D547 PolarHBondContact O-N 2.74Å
548	S	92.1	Very high	90.8	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.014	20%	0.198	C	C	.	.			trans	-162	152.8	177.7	50.6	0	0	0	0	110.3	W122 P373 L374 T375 Q545 I546	W122-S548 WeakPolarHBondContact O-CB 3.05Å; P373-S548 CarbonylContact C-O 3.56Å; P373-S548 PolarHBondContact O-N 2.97Å; L374-S548 CarbonylContact C-O 3.51Å; T375-S548 PolarHBondContact N-O 2.59Å; T375-S548 PolarHBondContact OG1-O 3.13Å; Q545-S548 VanDerWaalsContact CD-OG 3.29Å; Q545-S548 WeakPolarHBondContact CG-OG 3.4Å; Q545-S548 PolarHBondContact NE2-OG 3.37Å; I546-S548 VanDerWaalsContact C-N 3.34Å; I546-S548 PolarHBondContact O-N 2.97Å
549	C	94	Very high	90.6	Very high	26 Å²	26	32.5 Å²	32.5	18%	0.176	19%	0.194	C	C	.	.			trans	-119.3	99.6	169.7	177.7	0	0	0	0	110.2	P373 T375 R401 W455 C517 I551	P373-C549 HydrophobicContact CB-CB 4.06Å; P373-C549 HydrophobicContact CG-CB 4.28Å; T375-C549 VanDerWaalsContact OG1-CA 3.26Å; T375-C549 WeakPolarHBondContact OG1-CA 3.48Å; R401-C549 PolarHBondContact NE-SG 2.91Å; R401-C549 PolarHBondContact NH2-SG 3.33Å; W455-C549 HydrophobicContact CZ2-CB 4.44Å; C517-C549 HydrophobicContact CB-CB 3.85Å; C517-C549 WeakPolarHBondContact CB-SG 3.23Å; C517-C549 WeakPolarHBondContact SG-CA 3.2Å; C517-C549 WeakPolarHBondContact SG-CB 3.38Å; C517-C549 CovalentContact SG-SG 2.03Å; C517-C549 PolarHBondContact SG-SG 3.42Å; C549-I551 VanDerWaalsContact C-N 3.26Å; C549-I551 PolarHBondContact O-N 2.84Å; C549-I551 VanDerWaalsContact SG-CG2 3.55Å
550	G	89.3	Confident	90.7	Very high	17 Å²	17	31 Å²	31	18%	0.175	18%	0.177	C	C	.	.			trans	-82.4	15.7	-175.1	0	0	0	0	0	115.8	R126 T375	R126-G550 PolarHBondContact NH2-O 3.45Å; T375-G550 PolarHBondContact OG1-N 2.85Å
551	I	92.3	Very high	90.7	Very high	8 Å²	8	30 Å²	30	4%	0.041	17%	0.17	C	C	.	.			trans	-63.6	146	176.8	-162.8	170.5	0	0	0	110.7	L268 R401 W403 C549 W570	L268-I551 HydrophobicContact CD1-CG2 3.95Å; L268-I551 HydrophobicContact CD2-CG2 4.21Å; R401-I551 HydrophobicContact CG-CD1 4.19Å; W403-I551 HydrophobicContact CG-CD1 4.4Å; C549-I551 VanDerWaalsContact C-N 3.26Å; C549-I551 PolarHBondContact O-N 2.84Å; C549-I551 VanDerWaalsContact SG-CG2 3.55Å; I551-W570 HydrophobicContact CB-CZ3 4.03Å; I551-W570 HydrophobicContact CG1-CE3 4.47Å; I551-W570 HydrophobicContact CG1-CZ3 4.06Å
552	S	89.8	Confident	90.7	Very high	23 Å²	23	30 Å²	30	16%	0.161	17%	0.17	C	C	.	.			trans	-141.2	142.7	-177.2	29.1	0	0	0	0	110.3	W403 R554	W403-S552 PolarHBondContact NE1-O 2.9Å; S552-R554 PolarHBondContact OG-NH1 3.12Å
553	D	91.2	Very high	90.6	Very high	23 Å²	23	31.9 Å²	31.9	12%	0.123	20%	0.195	C	C	.	.			trans	-94.1	106.5	178.6	-172.8	-8.8	0	0	0	109.3	K242 S267 L268 W403 C555 L556 Q568	K242-D553 IonicContact NZ-OD2 3.77Å; S267-D553 VanDerWaalsContact CB-OD2 3.28Å; S267-D553 WeakPolarHBondContact CB-OD2 3.43Å; S267-D553 WeakPolarHBondContact OG-CB 2.98Å; S267-D553 PolarHBondContact OG-OD2 3.25Å; L268-D553 HydrophobicContact CD1-CB 4.16Å; W403-D553 HydrophobicContact CZ2-CB 3.98Å; D553-C555 VanDerWaalsContact C-N 3.3Å; D553-C555 PolarHBondContact OD1-N 3.38Å; D553-L556 PolarHBondContact OD1-N 3.27Å; D553-Q568 PolarHBondContact OD1-NE2 3.47Å
554	R	90	Very high	90.7	Very high	44 Å²	44	30.6 Å²	30.6	17%	0.166	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-2.1	-179.3	-62.7	172.9	163.1	30.9	4.3	113	S552 S571 F573 D907	S552-R554 PolarHBondContact OG-NH1 3.12Å; R554-S571 PolarHBondContact NE-O 2.88Å; R554-F573 HydrophobicContact CB-CB 3.99Å; R554-F573 HydrophobicContact CB-CD1 4.33Å; R554-D907 IonicContact NH2-OD1 3.83Å; R554-D907 PolarHBondContact NH2-OD1 2.93Å
555	C	91.9	Very high	90.9	Very high	23 Å²	23	36.5 Å²	36.5	16%	0.155	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	3.9	177.6	-75.1	0	0	0	0	113.1	D553 P557 N558 C566	D553-C555 VanDerWaalsContact C-N 3.3Å; D553-C555 PolarHBondContact OD1-N 3.38Å; C555-P557 CarbonylContact C-O 3.59Å; C555-P557 VanDerWaalsContact C-O 3.32Å; C555-P557 CarbonylContact O-C 3.37Å; C555-N558 WeakPolarHBondContact O-CA 3.48Å; C555-N558 PolarHBondContact O-N 2.98Å; C555-C566 WeakPolarHBondContact CA-SG 3.4Å; C555-C566 HydrophobicContact CB-CB 3.75Å; C555-C566 WeakPolarHBondContact CB-SG 2.98Å; C555-C566 VanDerWaalsContact SG-C 3.52Å; C555-C566 WeakPolarHBondContact SG-CB 3.48Å; C555-C566 CovalentContact SG-SG 2.05Å; C555-C566 PolarHBondContact SG-SG 3.44Å
556	L	85.4	Confident	91.1	Very high	56 Å²	56	36.3 Å²	36.3	29%	0.293	22%	0.217	S	C	.	.	S	Bend	trans	-133.4	112.1	175.2	-165.4	72.7	0	0	0	111.2	G266 D553	G266-L556 WeakPolarHBondContact O-CD2 3.41Å; D553-L556 PolarHBondContact OD1-N 3.27Å
557	P	82.5	Confident	91.3	Very high	74 Å²	74	38.3 Å²	38.3	48%	0.481	23%	0.233	S	C	.	.	S	Bend	cis	-64.2	156.3	-1.8	29.1	-35.1	0	0	0	112.6	C555 S559	C555-P557 CarbonylContact C-O 3.59Å; C555-P557 VanDerWaalsContact C-O 3.32Å; C555-P557 CarbonylContact O-C 3.37Å; P557-S559 PolarHBondContact O-N 3.43Å; P557-S559 VanDerWaalsContact O-N 3.11Å
558	N	87.7	Confident	91.4	Very high	79 Å²	79	39.6 Å²	39.6	42%	0.422	24%	0.239	S	C	.	.			trans	-68.1	113.6	178.8	-175.1	5.4	0	0	0	109.4	C555 C560 G564 C566	C555-N558 WeakPolarHBondContact O-CA 3.48Å; C555-N558 PolarHBondContact O-N 2.98Å; N558-C560 VanDerWaalsContact C-N 3.27Å; N558-C560 WeakPolarHBondContact OD1-CB 3.36Å; N558-C560 PolarHBondContact OD1-N 3.35Å; N558-G564 PolarHBondContact ND2-O 2.65Å; N558-C566 VanDerWaalsContact OD1-CB 3.27Å; N558-C566 WeakPolarHBondContact OD1-CB 3Å
559	S	89.3	Confident	91.5	Very high	23 Å²	23	40.7 Å²	40.7	16%	0.161	25%	0.247	C	C	.	.			trans	-79.2	-9.8	178	-64.9	0	0	0	0	113.6	P557 F573 M887	P557-S559 PolarHBondContact O-N 3.43Å; P557-S559 VanDerWaalsContact O-N 3.11Å; S559-F573 VanDerWaalsContact CB-CE2 3.49Å; S559-F573 VanDerWaalsContact CB-CZ 3.47Å; S559-M887 WeakPolarHBondContact OG-CE 3.43Å
560	C	94.1	Very high	91.4	Very high	7 Å²	7	41.1 Å²	41.1	5%	0.047	25%	0.245	C	C	.	.			trans	-84.5	115.6	176.2	-52.7	0	0	0	0	109.6	N558 G564 C575	N558-C560 VanDerWaalsContact C-N 3.27Å; N558-C560 WeakPolarHBondContact OD1-CB 3.36Å; N558-C560 PolarHBondContact OD1-N 3.35Å; C560-G564 WeakPolarHBondContact CB-O 3.18Å; C560-C575 WeakPolarHBondContact CA-SG 3Å; C560-C575 HydrophobicContact CB-CB 3.66Å; C560-C575 WeakPolarHBondContact CB-SG 3.03Å; C560-C575 WeakPolarHBondContact SG-CA 3.34Å; C560-C575 WeakPolarHBondContact SG-CB 3.46Å; C560-C575 CovalentContact SG-SG 2.03Å; C560-C575 PolarHBondContact SG-SG 2.89Å
561	E	92.1	Very high	91.4	Very high	53 Å²	53	42.7 Å²	42.7	25%	0.248	25%	0.253	C	S	.	.			trans	-77.3	168.1	-175.2	-57.9	176.4	-129	0	0	111.3	G563 G564 T586 C587 H588	E561-G563 PolarHBondContact O-N 2.85Å; E561-G564 PolarHBondContact O-N 2.88Å; E561-T586 WeakPolarHBondContact CB-O 3.37Å; E561-T586 PolarHBondContact N-O 3.29Å; E561-T586 PolarHBondContact OE1-OG1 2.97Å; E561-C587 WeakPolarHBondContact O-CB 3.49Å; E561-H588 IonicContact OE1-CG 3.96Å; E561-H588 IonicContact OE1-ND1 3.1Å; E561-H588 PolarHBondContact OE1-ND1 3.15Å; E561-H588 IonicContact OE2-CE1 2.65Å; E561-H588 IonicContact OE2-CG 3.61Å; E561-H588 IonicContact OE2-ND1 3.95Å; E561-H588 PolarHBondContact OE2-ND1 3.35Å
562	H	91.5	Very high	91.3	Very high	43 Å²	43	44.4 Å²	44.4	20%	0.199	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	35.9	175	-48.7	103.2	0	0	0	115	Y582 C587 H588 G617	H562-Y582 HydrophobicContact CB-CD1 4.21Å; H562-Y582 HydrophobicContact CB-CD2 3.36Å; H562-Y582 HydrophobicContact CB-CE1 4.34Å; H562-Y582 HydrophobicContact CB-CE2 3.54Å; H562-Y582 HydrophobicContact CB-CG 3.75Å; H562-Y582 AromaticContact CD2-CE1 3.67Å; H562-Y582 AromaticContact CD2-CZ 3.59Å; H562-Y582 AromaticContact CE1-CD1 3.85Å; H562-Y582 AromaticContact CE1-CE1 3.81Å; H562-Y582 AromaticContact CG-CD1 3.68Å; H562-Y582 AromaticContact CG-CD2 3.75Å; H562-Y582 AromaticContact CG-CE1 3.64Å; H562-Y582 AromaticContact CG-CE2 3.73Å; H562-Y582 AromaticContact CG-CG 3.75Å; H562-Y582 AromaticContact CG-CZ 3.67Å; H562-Y582 AromaticContact ND1-CD1 3.45Å; H562-Y582 WeakPolarHBondContact ND1-CD1 3.21Å; H562-Y582 AromaticContact ND1-CE1 3.73Å; H562-Y582 AromaticContact ND1-CG 3.75Å; H562-Y582 AromaticContact NE2-CE1 3.81Å; H562-C587 PolarHBondContact ND1-O 2.65Å; H562-H588 PolarHBondContact CE1-O 3.41Å; H562-G617 PolarHBondContact NE2-O 3.07Å; H562-G617 VanDerWaalsContact NE2-O 3.09Å
563	G	90.7	Very high	91.5	Very high	71 Å²	71	44.1 Å²	44.1	73%	0.732	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	12.9	178.5	0	0	0	0	0	115	E561	E561-G563 PolarHBondContact O-N 2.85Å
564	G	94.5	Very high	91.7	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.01	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-57.9	140.1	176.4	0	0	0	0	0	113.1	N558 C560 E561	N558-G564 PolarHBondContact ND2-O 2.65Å; C560-G564 WeakPolarHBondContact CB-O 3.18Å; E561-G564 PolarHBondContact O-N 2.88Å
565	E	95.7	Very high	92	Very high	131 Å²	131	46.5 Å²	46.5	61%	0.612	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	124.5	179	-179.9	-169.7	-169.9	0	0	110.2	C575 N576	E565-C575 WeakPolarHBondContact O-CA 3.25Å; E565-N576 HydrophobicContact CB-CB 4.19Å; E565-N576 PolarHBondContact N-O 2.8Å; E565-N576 VanDerWaalsContact N-O 3.11Å; E565-N576 PolarHBondContact O-N 2.82Å; E565-N576 PolarHBondContact OE2-ND2 3.5Å
566	C	95.8	Very high	92.3	Very high	29 Å²	29	48.6 Å²	48.6	20%	0.196	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	132.1	179.9	-169.6	0	0	0	0	112.1	C555 N558	C555-C566 WeakPolarHBondContact CA-SG 3.4Å; C555-C566 HydrophobicContact CB-CB 3.75Å; C555-C566 WeakPolarHBondContact CB-SG 2.98Å; C555-C566 VanDerWaalsContact SG-C 3.52Å; C555-C566 WeakPolarHBondContact SG-CB 3.48Å; C555-C566 CovalentContact SG-SG 2.05Å; C555-C566 PolarHBondContact SG-SG 3.44Å; N558-C566 VanDerWaalsContact OD1-CB 3.27Å; N558-C566 WeakPolarHBondContact OD1-CB 3Å
567	S	95.6	Very high	92.8	Very high	64 Å²	64	47.1 Å²	47.1	45%	0.448	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	160.5	165.4	61.3	0	0	0	0	109.5	F573 H574	S567-F573 CarbonylContact O-C 3.5Å; S567-F573 VanDerWaalsContact O-CA 3.23Å; S567-F573 WeakPolarHBondContact O-CA 3.44Å; S567-H574 PolarHBondContact N-O 3.01Å; S567-H574 PolarHBondContact O-N 3.11Å; S567-H574 PolarHBondContact OG-O 2.03Å
568	Q	94.9	Very high	93.4	Very high	34 Å²	34	48.1 Å²	48.1	16%	0.159	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	164.9	-175.9	65.4	-175	-41.9	0	0	113.9	W403 D553 T572 F573	W403-Q568 HydrophobicContact CB-CG 4.27Å; W403-Q568 HydrophobicContact CD2-CG 3.85Å; W403-Q568 HydrophobicContact CE3-CG 3.87Å; W403-Q568 HydrophobicContact CG-CG 4.03Å; W403-Q568 HydrophobicContact CZ3-CG 4.46Å; D553-Q568 PolarHBondContact OD1-NE2 3.47Å; Q568-T572 CarbonylContact C-O 3.6Å; Q568-T572 WeakPolarHBondContact CA-O 3.33Å; Q568-F573 HydrophobicContact CB-CB 4.26Å
569	S	93.3	Very high	93.5	Very high	26 Å²	26	50 Å²	50	18%	0.182	29%	0.293	C	S	.	.			trans	-127.2	-179.5	167.7	73.3	0	0	0	0	109.1	S571 T572	S569-S571 PolarHBondContact O-N 3.48Å; S569-S571 PolarHBondContact OG-N 2.94Å; S569-T572 PolarHBondContact N-O 3.5Å; S569-T572 PolarHBondContact OG-N 2.88Å; S569-T572 PolarHBondContact OG-O 3.05Å
570	W	91.6	Very high	93.6	Very high	34 Å²	34	50.1 Å²	50.1	13%	0.129	29%	0.293	C	S	.	.	S	Bend	trans	-53.5	-40.4	175	174.8	-92.9	0	0	0	112.8	T375 L377 N404 Q515 I551	T375-W570 HydrophobicContact CG2-CH2 3.5Å; T375-W570 HydrophobicContact CG2-CZ2 4.03Å; L377-W570 PolarHBondContact O-NE1 3.48Å; N404-W570 VanDerWaalsContact OD1-CB 3.31Å; N404-W570 WeakPolarHBondContact OD1-CB 3.38Å; N404-W570 PolarHBondContact OD1-N 2.69Å; Q515-W570 HydrophobicContact CB-CB 3.98Å; Q515-W570 HydrophobicContact CB-CD2 3.7Å; Q515-W570 HydrophobicContact CB-CE3 4.23Å; Q515-W570 HydrophobicContact CB-CG 3.55Å; Q515-W570 HydrophobicContact CG-CG 4.32Å; I551-W570 HydrophobicContact CB-CZ3 4.03Å; I551-W570 HydrophobicContact CG1-CE3 4.47Å; I551-W570 HydrophobicContact CG1-CZ3 4.06Å
571	S	88.5	Confident	93.5	Very high	51 Å²	51	50.5 Å²	50.5	36%	0.357	30%	0.298	S	S	.	.	S	Bend	trans	-97.5	-34.2	-173.5	59.7	0	0	0	0	112.9	R554 S569 T906	R554-S571 PolarHBondContact NE-O 2.88Å; S569-S571 PolarHBondContact O-N 3.48Å; S569-S571 PolarHBondContact OG-N 2.94Å; S571-T906 WeakPolarHBondContact O-CG2 3.47Å
572	T	91.8	Very high	93.7	Very high	44 Å²	44	48.2 Å²	48.2	27%	0.27	29%	0.288	S	S	.	.			trans	-143.9	165.5	-169.8	-164.3	0	0	0	0	112.7	Q568 S569 H574	Q568-T572 CarbonylContact C-O 3.6Å; Q568-T572 WeakPolarHBondContact CA-O 3.33Å; S569-T572 PolarHBondContact N-O 3.5Å; S569-T572 PolarHBondContact OG-N 2.88Å; S569-T572 PolarHBondContact OG-O 3.05Å; T572-H574 WeakPolarHBondContact CG2-NE2 3.21Å
573	F	93.6	Very high	93.8	Very high	17 Å²	17	49.5 Å²	49.5	8%	0.075	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	163.6	168.1	71.2	-85.2	0	0	0	110.6	R554 S559 S567 Q568 C575 T586 M887 K888	R554-F573 HydrophobicContact CB-CB 3.99Å; R554-F573 HydrophobicContact CB-CD1 4.33Å; S559-F573 VanDerWaalsContact CB-CE2 3.49Å; S559-F573 VanDerWaalsContact CB-CZ 3.47Å; S567-F573 CarbonylContact O-C 3.5Å; S567-F573 VanDerWaalsContact O-CA 3.23Å; S567-F573 WeakPolarHBondContact O-CA 3.44Å; Q568-F573 HydrophobicContact CB-CB 4.26Å; F573-C575 VanDerWaalsContact CE2-SG 3.59Å; F573-T586 HydrophobicContact CE2-CG2 4.35Å; F573-T586 HydrophobicContact CZ-CG2 4.28Å; F573-M887 HydrophobicContact CZ-CB 4.5Å; F573-M887 HydrophobicContact CZ-CE 4.46Å; F573-K888 HydrophobicContact CD2-CD 4.17Å; F573-K888 HydrophobicContact CE1-CD 4.13Å; F573-K888 HydrophobicContact CE1-CG 3.69Å; F573-K888 HydrophobicContact CE2-CD 3.71Å; F573-K888 HydrophobicContact CE2-CG 3.88Å; F573-K888 HydrophobicContact CZ-CD 3.7Å; F573-K888 HydrophobicContact CZ-CG 3.32Å; F573-K888 VanDerWaalsContact O-CE 3.25Å; F573-K888 WeakPolarHBondContact O-CE 3.35Å; F573-K888 PolarHBondContact O-NZ 2.98Å
574	H	95.3	Very high	93.9	Very high	91 Å²	91	47.9 Å²	47.9	42%	0.421	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	132.6	179.5	-59.4	-87.9	0	0	0	109.1	S567 T572	S567-H574 PolarHBondContact N-O 3.01Å; S567-H574 PolarHBondContact O-N 3.11Å; S567-H574 PolarHBondContact OG-O 2.03Å; T572-H574 WeakPolarHBondContact CG2-NE2 3.21Å
575	C	96.9	Very high	93.8	Very high	26 Å²	26	48.8 Å²	48.8	18%	0.176	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	129.6	176.7	-60.1	0	0	0	0	110.6	C560 E565 F573 A585	C560-C575 WeakPolarHBondContact CA-SG 3Å; C560-C575 HydrophobicContact CB-CB 3.66Å; C560-C575 WeakPolarHBondContact CB-SG 3.03Å; C560-C575 WeakPolarHBondContact SG-CA 3.34Å; C560-C575 WeakPolarHBondContact SG-CB 3.46Å; C560-C575 CovalentContact SG-SG 2.03Å; C560-C575 PolarHBondContact SG-SG 2.89Å; E565-C575 WeakPolarHBondContact O-CA 3.25Å; F573-C575 VanDerWaalsContact CE2-SG 3.59Å; C575-A585 WeakPolarHBondContact CB-O 3.4Å; C575-A585 PolarHBondContact SG-O 2.75Å
576	N	97.6	Very high	93.7	Very high	67 Å²	67	42.6 Å²	42.6	36%	0.358	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	108.3	167.6	176	14.9	0	0	0	108.5	E565 T578	E565-N576 HydrophobicContact CB-CB 4.19Å; E565-N576 PolarHBondContact N-O 2.8Å; E565-N576 VanDerWaalsContact N-O 3.11Å; E565-N576 PolarHBondContact O-N 2.82Å; E565-N576 PolarHBondContact OE2-ND2 3.5Å; N576-T578 VanDerWaalsContact C-N 3.32Å; N576-T578 WeakPolarHBondContact OD1-CB 3.25Å; N576-T578 PolarHBondContact OD1-N 2.89Å; N576-T578 VanDerWaalsContact OD1-N 3.07Å; N576-T578 PolarHBondContact OD1-OG1 3.26Å
577	C	96	Very high	93.7	Very high	25 Å²	25	41.2 Å²	41.2	17%	0.169	25%	0.251	C	S	.	.			trans	-92.7	9.4	-179.9	-43.6	0	0	0	0	112.9	N579 T580 Y582 G584 C587	C577-N579 PolarHBondContact O-N 2.94Å; C577-T580 PolarHBondContact O-N 3.37Å; C577-T580 PolarHBondContact O-OG1 3.08Å; C577-Y582 WeakPolarHBondContact CB-O 3.4Å; C577-G584 PolarHBondContact SG-O 3.19Å; C577-C587 WeakPolarHBondContact CA-SG 3.19Å; C577-C587 HydrophobicContact CB-CB 3.76Å; C577-C587 WeakPolarHBondContact CB-SG 3.32Å; C577-C587 WeakPolarHBondContact SG-CA 3.47Å; C577-C587 WeakPolarHBondContact SG-CB 3.36Å; C577-C587 CovalentContact SG-SG 2.03Å; C577-C587 PolarHBondContact SG-SG 2.03Å
578	T	94.3	Very high	93.5	Very high	94 Å²	94	38.4 Å²	38.4	58%	0.577	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	133	-179.9	-50.5	0	0	0	0	109.4	N576 T580	N576-T578 VanDerWaalsContact C-N 3.32Å; N576-T578 WeakPolarHBondContact OD1-CB 3.25Å; N576-T578 PolarHBondContact OD1-N 2.89Å; N576-T578 VanDerWaalsContact OD1-N 3.07Å; N576-T578 PolarHBondContact OD1-OG1 3.26Å; T578-T580 VanDerWaalsContact C-N 3.25Å; T578-T580 PolarHBondContact O-N 3.04Å
579	N	89.5	Confident	93.4	Very high	118 Å²	118	38.3 Å²	38.3	63%	0.631	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.9	14	-179.4	-45.5	-41.6	0	0	0	116	C577 H1224	C577-N579 PolarHBondContact O-N 2.94Å; N579-H1224 PolarHBondContact ND2-CE1 2.84Å; N579-H1224 PolarHBondContact ND2-NE2 2.73Å; N579-H1224 VanDerWaalsContact ND2-NE2 3.19Å; N579-H1224 PolarHBondContact OD1-NE2 3.3Å
580	T	92.3	Very high	93.3	Very high	27 Å²	27	38.4 Å²	38.4	17%	0.166	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-24.9	172.8	67.5	0	0	0	0	112.6	C577 T578 Y582	C577-T580 PolarHBondContact O-N 3.37Å; C577-T580 PolarHBondContact O-OG1 3.08Å; T578-T580 VanDerWaalsContact C-N 3.25Å; T578-T580 PolarHBondContact O-N 3.04Å; T580-Y582 VanDerWaalsContact C-N 3.33Å; T580-Y582 WeakPolarHBondContact O-CD2 3.37Å; T580-Y582 WeakPolarHBondContact O-CE2 3.43Å; T580-Y582 PolarHBondContact OG1-N 2.86Å; T580-Y582 VanDerWaalsContact OG1-N 3.11Å
581	G	92.9	Very high	93.5	Very high	15 Å²	15	40.2 Å²	40.2	16%	0.155	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	7.5	-167.6	0	0	0	0	0	113.6	V591	G581-V591 VanDerWaalsContact O-CG2 3.32Å; G581-V591 WeakPolarHBondContact O-CG2 3.38Å; G581-V591 PolarHBondContact O-N 3.26Å; G581-V591 VanDerWaalsContact O-N 3.1Å
582	Y	95.6	Very high	93.8	Very high	5 Å²	5	40.9 Å²	40.9	2%	0.02	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	163.2	-178.3	-60.1	-98.6	0	0	0	111.8	H562 C577 T580 C587 S589 D612 G615 L619 P621	H562-Y582 HydrophobicContact CB-CD1 4.21Å; H562-Y582 HydrophobicContact CB-CD2 3.36Å; H562-Y582 HydrophobicContact CB-CE1 4.34Å; H562-Y582 HydrophobicContact CB-CE2 3.54Å; H562-Y582 HydrophobicContact CB-CG 3.75Å; H562-Y582 AromaticContact CD2-CE1 3.67Å; H562-Y582 AromaticContact CD2-CZ 3.59Å; H562-Y582 AromaticContact CE1-CD1 3.85Å; H562-Y582 AromaticContact CE1-CE1 3.81Å; H562-Y582 AromaticContact CG-CD1 3.68Å; H562-Y582 AromaticContact CG-CD2 3.75Å; H562-Y582 AromaticContact CG-CE1 3.64Å; H562-Y582 AromaticContact CG-CE2 3.73Å; H562-Y582 AromaticContact CG-CG 3.75Å; H562-Y582 AromaticContact CG-CZ 3.67Å; H562-Y582 AromaticContact ND1-CD1 3.45Å; H562-Y582 WeakPolarHBondContact ND1-CD1 3.21Å; H562-Y582 AromaticContact ND1-CE1 3.73Å; H562-Y582 AromaticContact ND1-CG 3.75Å; H562-Y582 AromaticContact NE2-CE1 3.81Å; C577-Y582 WeakPolarHBondContact CB-O 3.4Å; T580-Y582 VanDerWaalsContact C-N 3.33Å; T580-Y582 WeakPolarHBondContact O-CD2 3.37Å; T580-Y582 WeakPolarHBondContact O-CE2 3.43Å; T580-Y582 PolarHBondContact OG1-N 2.86Å; T580-Y582 VanDerWaalsContact OG1-N 3.11Å; Y582-C587 WeakPolarHBondContact CB-O 3.48Å; Y582-S589 CarbonylContact C-O 3.54Å; Y582-S589 VanDerWaalsContact CA-O 3.31Å; Y582-S589 WeakPolarHBondContact CA-O 3.42Å; Y582-D612 WeakPolarHBondContact CE1-OD2 3.1Å; Y582-D612 PolarHBondContact OH-OD2 3.23Å; Y582-G615 WeakPolarHBondContact CE1-O 3.43Å; Y582-L619 PolarHBondContact OH-O 3.49Å; Y582-P621 HydrophobicContact CE2-CG 4.26Å; Y582-P621 WeakPolarHBondContact OH-CD 3.01Å
583	T	94.3	Very high	93.9	Very high	69 Å²	69	41 Å²	41	42%	0.423	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	179.3	-178.1	56.6	0	0	0	0	110.9	C587 H588 S589 V591	T583-C587 CarbonylContact O-C 3.53Å; T583-C587 WeakPolarHBondContact O-CA 3.04Å; T583-H588 PolarHBondContact O-N 3.11Å; T583-S589 PolarHBondContact N-O 2.79Å; T583-S589 PolarHBondContact O-N 3.3Å; T583-S589 VanDerWaalsContact O-N 3.08Å; T583-S589 PolarHBondContact OG1-O 2.86Å; T583-V591 HydrophobicContact CG2-CG1 3.32Å
584	G	91.7	Very high	93.8	Very high	38 Å²	38	41.4 Å²	41.4	39%	0.392	24%	0.244	S	C	.	.	S	Bend	trans	97	171.4	-175.4	0	0	0	0	0	112.3	C577 T586 C587	C577-G584 PolarHBondContact SG-O 3.19Å; G584-T586 PolarHBondContact O-N 3.43Å; G584-C587 PolarHBondContact O-N 3.32Å
585	A	93	Very high	93.8	Very high	20 Å²	20	37.5 Å²	37.5	17%	0.165	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-25	-173.9	0	0	0	0	0	113.8	C575 K888 E889	C575-A585 WeakPolarHBondContact CB-O 3.4Å; C575-A585 PolarHBondContact SG-O 2.75Å; A585-K888 HydrophobicContact CB-CB 3.91Å; A585-K888 HydrophobicContact CB-CD 4.24Å; A585-E889 HydrophobicContact CB-CG 3.82Å
586	T	94.3	Very high	93.7	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.7	12.6	177.2	55	0	0	0	0	113.4	E561 F573 G584 H588 N886 K888	E561-T586 WeakPolarHBondContact CB-O 3.37Å; E561-T586 PolarHBondContact N-O 3.29Å; E561-T586 PolarHBondContact OE1-OG1 2.97Å; F573-T586 HydrophobicContact CE2-CG2 4.35Å; F573-T586 HydrophobicContact CZ-CG2 4.28Å; G584-T586 PolarHBondContact O-N 3.43Å; T586-H588 VanDerWaalsContact C-N 3.25Å; T586-H588 PolarHBondContact O-N 3.37Å; T586-N886 HydrophobicContact CG2-CB 4.06Å; T586-K888 HydrophobicContact CG2-CG 4.3Å
587	C	94.6	Very high	93.4	Very high	0 Å²	0	34 Å²	34	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	59.5	32.6	-174.3	-43.9	0	0	0	0	113.6	E561 H562 C577 Y582 T583 G584	E561-C587 WeakPolarHBondContact O-CB 3.49Å; H562-C587 PolarHBondContact ND1-O 2.65Å; C577-C587 WeakPolarHBondContact CA-SG 3.19Å; C577-C587 HydrophobicContact CB-CB 3.76Å; C577-C587 WeakPolarHBondContact CB-SG 3.32Å; C577-C587 WeakPolarHBondContact SG-CA 3.47Å; C577-C587 WeakPolarHBondContact SG-CB 3.36Å; C577-C587 CovalentContact SG-SG 2.03Å; C577-C587 PolarHBondContact SG-SG 2.03Å; Y582-C587 WeakPolarHBondContact CB-O 3.48Å; T583-C587 CarbonylContact O-C 3.53Å; T583-C587 WeakPolarHBondContact O-CA 3.04Å; G584-C587 PolarHBondContact O-N 3.32Å
588	H	92.3	Very high	93.1	Very high	5 Å²	5	33.1 Å²	33.1	2%	0.023	20%	0.201	C	C	.	.			trans	-77.9	-41.4	-177.3	-175	72.8	0	0	0	112.9	E561 H562 T583 T586 S616 D818 E884	E561-H588 IonicContact OE1-CG 3.96Å; E561-H588 IonicContact OE1-ND1 3.1Å; E561-H588 PolarHBondContact OE1-ND1 3.15Å; E561-H588 IonicContact OE2-CE1 2.65Å; E561-H588 IonicContact OE2-CG 3.61Å; E561-H588 IonicContact OE2-ND1 3.95Å; E561-H588 PolarHBondContact OE2-ND1 3.35Å; H562-H588 PolarHBondContact CE1-O 3.41Å; T583-H588 PolarHBondContact O-N 3.11Å; T586-H588 VanDerWaalsContact C-N 3.25Å; T586-H588 PolarHBondContact O-N 3.37Å; H588-S616 PolarHBondContact CD2-OG 3.26Å; H588-S616 WeakPolarHBondContact CE1-CB 3.4Å; H588-S616 WeakPolarHBondContact NE2-CB 3.42Å; H588-S616 PolarHBondContact NE2-OG 2.87Å; H588-S616 VanDerWaalsContact NE2-OG 3.12Å; H588-S616 PolarHBondContact O-OG 2.8Å; H588-D818 WeakPolarHBondContact NE2-CB 3.43Å; H588-E884 WeakPolarHBondContact CB-OE1 3.32Å; H588-E884 IonicContact CD2-OE1 3.64Å; H588-E884 IonicContact CG-OE1 3.41Å
589	S	91.3	Very high	93	Very high	31 Å²	31	29.7 Å²	29.7	22%	0.217	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	125.8	-169.9	-53.7	0	0	0	0	113.2	Y582 T583	Y582-S589 CarbonylContact C-O 3.54Å; Y582-S589 VanDerWaalsContact CA-O 3.31Å; Y582-S589 WeakPolarHBondContact CA-O 3.42Å; T583-S589 PolarHBondContact N-O 2.79Å; T583-S589 PolarHBondContact O-N 3.3Å; T583-S589 VanDerWaalsContact O-N 3.08Å; T583-S589 PolarHBondContact OG1-O 2.86Å
590	S	92.9	Very high	93	Very high	28 Å²	28	24.9 Å²	24.9	20%	0.196	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	142.9	173.4	-166	0	0	0	0	112.6	Y592 D612	S590-Y592 VanDerWaalsContact C-N 3.33Å; S590-Y592 PolarHBondContact OG-N 3.19Å; S590-D612 WeakPolarHBondContact CB-OD2 3.4Å; S590-D612 VanDerWaalsContact OG-CB 3.32Å; S590-D612 WeakPolarHBondContact OG-CB 3.41Å; S590-D612 PolarHBondContact OG-OD2 2.77Å
591	V	94.1	Very high	92.7	Very high	73 Å²	73	24.6 Å²	24.6	44%	0.442	15%	0.148	S	C	.	.	S	Bend	trans	-86.6	-8.4	169.5	-52.3	0	0	0	0	112.9	G581 T583	G581-V591 VanDerWaalsContact O-CG2 3.32Å; G581-V591 WeakPolarHBondContact O-CG2 3.38Å; G581-V591 PolarHBondContact O-N 3.26Å; G581-V591 VanDerWaalsContact O-N 3.1Å; T583-V591 HydrophobicContact CG2-CG1 3.32Å
592	Y	95.3	Very high	92.4	Very high	65 Å²	65	29 Å²	29	26%	0.255	16%	0.164	S	C	.	.	S	Bend	trans	-104.7	155.7	-176.5	-56.4	-64.6	0	0	0	111.2	S590 Y610 P621	S590-Y592 VanDerWaalsContact C-N 3.33Å; S590-Y592 PolarHBondContact OG-N 3.19Å; Y592-Y610 VanDerWaalsContact CD1-CB 3.41Å; Y592-Y610 HydrophobicContact CD1-CG 4.37Å; Y592-Y610 VanDerWaalsContact CE1-CB 3.48Å; Y592-Y610 HydrophobicContact CE1-CD2 4.08Å; Y592-Y610 AromaticContact CE1-CG 3.96Å; Y592-Y610 HydrophobicContact CE1-CG 3.96Å; Y592-Y610 HydrophobicContact CE2-CG 4.44Å; Y592-Y610 AromaticContact CZ-CG 3.98Å; Y592-P621 HydrophobicContact CD2-CB 3.49Å; Y592-P621 VanDerWaalsContact CD2-CB 3.49Å; Y592-P621 HydrophobicContact CD2-CG 3.52Å; Y592-P621 HydrophobicContact CE2-CB 3.88Å; Y592-P621 HydrophobicContact CE2-CG 3.88Å; Y592-P621 HydrophobicContact CG-CB 4.34Å
593	E	93.6	Very high	91.7	Very high	45 Å²	45	30.8 Å²	30.8	21%	0.21	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-84.9	156.5	177.1	-62.6	-64.1	153.3	0	0	111.2	S595 A598 Y599 Q602 I611 D612	E593-S595 VanDerWaalsContact C-N 3.33Å; E593-S595 PolarHBondContact O-N 3.45Å; E593-A598 HydrophobicContact CB-CB 4.02Å; E593-A598 HydrophobicContact CG-CB 4.49Å; E593-Y599 HydrophobicContact CB-CD1 4.23Å; E593-Y599 HydrophobicContact CB-CD2 3.9Å; E593-Y599 HydrophobicContact CB-CE1 3.98Å; E593-Y599 HydrophobicContact CB-CE2 3.63Å; E593-Y599 HydrophobicContact CB-CG 4.19Å; E593-Y599 HydrophobicContact CG-CD1 3.77Å; E593-Y599 HydrophobicContact CG-CD2 4.36Å; E593-Y599 HydrophobicContact CG-CE1 3.49Å; E593-Y599 VanDerWaalsContact CG-CE1 3.49Å; E593-Y599 HydrophobicContact CG-CE2 4.13Å; E593-Y599 HydrophobicContact CG-CG 4.2Å; E593-Y599 PolarHBondContact N-OH 2.98Å; E593-Q602 PolarHBondContact OE1-NE2 2.76Å; E593-I611 WeakPolarHBondContact O-CA 3.49Å; E593-D612 PolarHBondContact O-N 2.82Å; E593-D612 VanDerWaalsContact O-N 3.12Å
594	Q	92.6	Very high	91.3	Very high	26 Å²	26	29.8 Å²	29.8	12%	0.121	18%	0.176	C	C	.	.	S	Bend	trans	-81.2	-9.8	-174.7	-54.6	178.9	-50.2	0	0	114.7	I611 D612	Q594-I611 VanDerWaalsContact O-CG2 3.32Å; Q594-I611 WeakPolarHBondContact O-CG2 3.33Å; Q594-D612 WeakPolarHBondContact CA-O 3.18Å; Q594-D612 WeakPolarHBondContact CB-O 3.5Å; Q594-D612 VanDerWaalsContact CG-O 3.25Å; Q594-D612 WeakPolarHBondContact CG-O 3.5Å
595	S	94.1	Very high	91.1	Very high	10 Å²	10	31.3 Å²	31.3	7%	0.07	19%	0.186	C	C	.	.			trans	-160.8	162.4	178.4	77.1	0	0	0	0	113.4	E593 E597 A598 Y599 D790	E593-S595 VanDerWaalsContact C-N 3.33Å; E593-S595 PolarHBondContact O-N 3.45Å; S595-E597 PolarHBondContact O-N 2.88Å; S595-E597 PolarHBondContact OG-N 2.98Å; S595-A598 WeakPolarHBondContact O-CB 3.43Å; S595-A598 PolarHBondContact O-N 3.38Å; S595-A598 PolarHBondContact OG-N 3.48Å; S595-Y599 PolarHBondContact O-N 2.7Å; S595-D790 WeakPolarHBondContact CB-OD2 3.3Å; S595-D790 PolarHBondContact OG-OD2 3.13Å
596	C	94.8	Very high	91	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.2	-28.8	168.8	-64.5	0	0	0	0	112.5	K600 L624 C626 A632 T634	C596-K600 WeakPolarHBondContact O-CB 3.33Å; C596-K600 PolarHBondContact O-N 2.85Å; C596-L624 VanDerWaalsContact SG-CD1 3.59Å; C596-C626 WeakPolarHBondContact CA-SG 3.16Å; C596-C626 HydrophobicContact CB-CB 3.65Å; C596-C626 WeakPolarHBondContact CB-SG 3.4Å; C596-C626 WeakPolarHBondContact SG-CA 3.21Å; C596-C626 WeakPolarHBondContact SG-CB 3.32Å; C596-C626 CovalentContact SG-SG 2.04Å; C596-C626 PolarHBondContact SG-SG 2.69Å; C596-A632 HydrophobicContact CB-CB 4.21Å; C596-T634 PolarHBondContact SG-OG1 2.93Å
597	E	90.9	Very high	91	Very high	19 Å²	19	33.4 Å²	33.4	9%	0.089	20%	0.202	C	C	.	.	H	α-helix	trans	-69.1	-37.9	177.3	-161.6	70.9	-128.2	0	0	110.5	S595 K600 H601 A632 D790	S595-E597 PolarHBondContact O-N 2.88Å; S595-E597 PolarHBondContact OG-N 2.98Å; E597-K600 PolarHBondContact O-N 3.39Å; E597-K600 IonicContact OE1-NZ 2.99Å; E597-K600 PolarHBondContact OE1-NZ 2.85Å; E597-H601 PolarHBondContact O-N 2.84Å; E597-H601 VanDerWaalsContact O-N 3.11Å; E597-H601 PolarHBondContact O-ND1 3.03Å; E597-H601 IonicContact OE1-CE1 2.92Å; E597-H601 PolarHBondContact OE1-CE1 3.35Å; E597-H601 IonicContact OE1-ND1 3.4Å; E597-A632 HydrophobicContact CB-CB 4.37Å; E597-A632 WeakPolarHBondContact OE2-CB 3.2Å; E597-D790 HydrophobicContact CB-CB 3.8Å; E597-D790 HydrophobicContact CG-CB 4.23Å
598	A	91.3	Very high	91.1	Very high	7 Å²	7	40.1 Å²	40.1	6%	0.058	23%	0.231	C	C	.	.	H	α-helix	trans	-62	-49.5	173.8	0	0	0	0	0	111.5	E593 S595 K600 H601 Q602 F793	E593-A598 HydrophobicContact CB-CB 4.02Å; E593-A598 HydrophobicContact CG-CB 4.49Å; S595-A598 WeakPolarHBondContact O-CB 3.43Å; S595-A598 PolarHBondContact O-N 3.38Å; S595-A598 PolarHBondContact OG-N 3.48Å; A598-K600 VanDerWaalsContact C-N 3.34Å; A598-K600 PolarHBondContact O-N 2.91Å; A598-H601 PolarHBondContact O-N 2.86Å; A598-H601 VanDerWaalsContact O-N 3.13Å; A598-Q602 PolarHBondContact O-N 2.85Å; A598-F793 HydrophobicContact CB-CE2 4.5Å
599	Y	92.5	Very high	91.2	Very high	22 Å²	22	42.1 Å²	42.1	9%	0.086	24%	0.239	C	C	.	.	H	α-helix	trans	-58.2	-42.8	175.1	-82.8	-57.2	0	0	0	113	E593 S595 H601 Q602 N604 Y609 Y610 I611	E593-Y599 HydrophobicContact CB-CD1 4.23Å; E593-Y599 HydrophobicContact CB-CD2 3.9Å; E593-Y599 HydrophobicContact CB-CE1 3.98Å; E593-Y599 HydrophobicContact CB-CE2 3.63Å; E593-Y599 HydrophobicContact CB-CG 4.19Å; E593-Y599 HydrophobicContact CG-CD1 3.77Å; E593-Y599 HydrophobicContact CG-CD2 4.36Å; E593-Y599 HydrophobicContact CG-CE1 3.49Å; E593-Y599 VanDerWaalsContact CG-CE1 3.49Å; E593-Y599 HydrophobicContact CG-CE2 4.13Å; E593-Y599 HydrophobicContact CG-CG 4.2Å; E593-Y599 PolarHBondContact N-OH 2.98Å; S595-Y599 PolarHBondContact O-N 2.7Å; Y599-H601 VanDerWaalsContact C-N 3.26Å; Y599-H601 PolarHBondContact O-N 3.3Å; Y599-Q602 WeakPolarHBondContact O-CB 3.39Å; Y599-Q602 PolarHBondContact O-N 2.79Å; Y599-Q602 VanDerWaalsContact O-N 3.12Å; Y599-N604 WeakPolarHBondContact CD1-ND2 3.41Å; Y599-N604 WeakPolarHBondContact O-CB 3.35Å; Y599-N604 PolarHBondContact O-N 3.08Å; Y599-Y609 HydrophobicContact CD1-CD1 4.05Å; Y599-Y609 HydrophobicContact CD1-CE1 4.24Å; Y599-Y609 AromaticContact CD2-CD1 3.91Å; Y599-Y609 HydrophobicContact CD2-CD1 3.91Å; Y599-Y609 AromaticContact CD2-CG 3.94Å; Y599-Y609 HydrophobicContact CD2-CG 3.94Å; Y599-Y609 AromaticContact CE1-CD1 3.99Å; Y599-Y609 HydrophobicContact CE1-CD1 3.99Å; Y599-Y609 HydrophobicContact CE1-CE1 4.45Å; Y599-Y609 AromaticContact CE2-CD1 3.83Å; Y599-Y609 HydrophobicContact CE2-CD1 3.83Å; Y599-Y609 AromaticContact CE2-CG 3.99Å; Y599-Y609 HydrophobicContact CE2-CG 3.99Å; Y599-Y609 HydrophobicContact CG-CD1 4.02Å; Y599-Y609 HydrophobicContact CG-CE1 4.37Å; Y599-Y609 HydrophobicContact CG-CG 4.39Å; Y599-Y609 AromaticContact CZ-CD1 3.89Å; Y599-Y610 WeakPolarHBondContact CE2-O 3.44Å; Y599-Y610 PolarHBondContact OH-O 3.36Å; Y599-I611 HydrophobicContact CE2-CG1 4.46Å
600	K	89.3	Confident	91.5	Very high	17 Å²	17	45.8 Å²	45.8	7%	0.074	25%	0.249	C	C	.	.	H	α-helix	trans	-58.3	-40.7	177.1	179.2	-177.8	162.3	-148.8	0	111.6	C596 E597 A598 Q602 G603 M628 E630 A632 F997	C596-K600 WeakPolarHBondContact O-CB 3.33Å; C596-K600 PolarHBondContact O-N 2.85Å; E597-K600 PolarHBondContact O-N 3.39Å; E597-K600 IonicContact OE1-NZ 2.99Å; E597-K600 PolarHBondContact OE1-NZ 2.85Å; A598-K600 VanDerWaalsContact C-N 3.34Å; A598-K600 PolarHBondContact O-N 2.91Å; K600-Q602 PolarHBondContact O-N 3.45Å; K600-G603 PolarHBondContact O-N 3.1Å; K600-M628 WeakPolarHBondContact CA-SD 3.42Å; K600-M628 HydrophobicContact CB-CB 4.4Å; K600-M628 HydrophobicContact CB-CG 3.99Å; K600-M628 HydrophobicContact CB-SD 3.63Å; K600-M628 HydrophobicContact CG-CB 4.41Å; K600-M628 HydrophobicContact CG-SD 4.47Å; K600-M628 PolarHBondContact N-SD 2.84Å; K600-M628 VanDerWaalsContact N-SD 3.39Å; K600-E630 PolarHBondContact NZ-O 3.14Å; K600-A632 HydrophobicContact CB-CB 4.35Å; K600-A632 HydrophobicContact CD-CB 3.79Å; K600-F997 HydrophobicContact CG-CE2 4.22Å; K600-F997 HydrophobicContact CG-CZ 4.12Å; K600-F997 WeakPolarHBondContact O-CE2 3.47Å; K600-F997 WeakPolarHBondContact O-CZ 3.41Å
601	H	86.3	Confident	91.6	Very high	21 Å²	21	44.6 Å²	44.6	10%	0.097	24%	0.24	C	C	.	.	H	α-helix	trans	-74.8	-11.5	-179.5	-76.1	87.8	0	0	0	114.4	E597 A598 Y599 G603 F793 W794 F984	E597-H601 PolarHBondContact O-N 2.84Å; E597-H601 VanDerWaalsContact O-N 3.11Å; E597-H601 PolarHBondContact O-ND1 3.03Å; E597-H601 IonicContact OE1-CE1 2.92Å; E597-H601 PolarHBondContact OE1-CE1 3.35Å; E597-H601 IonicContact OE1-ND1 3.4Å; A598-H601 PolarHBondContact O-N 2.86Å; A598-H601 VanDerWaalsContact O-N 3.13Å; Y599-H601 VanDerWaalsContact C-N 3.26Å; Y599-H601 PolarHBondContact O-N 3.3Å; H601-G603 VanDerWaalsContact C-N 3.31Å; H601-F793 HydrophobicContact CB-CZ 4.21Å; H601-W794 AromaticContact CE1-CZ2 3.45Å; H601-W794 VanDerWaalsContact CE1-CZ2 3.45Å; H601-W794 WeakPolarHBondContact CE1-CZ2 3.46Å; H601-W794 AromaticContact NE2-CH2 3.65Å; H601-W794 AromaticContact NE2-CZ2 3.39Å; H601-W794 WeakPolarHBondContact NE2-CZ2 3.49Å; H601-F984 AromaticContact CD2-CE1 3.68Å; H601-F984 AromaticContact NE2-CE1 3.6Å
602	Q	85.3	Confident	91.6	Very high	106 Å²	106	41.1 Å²	41.1	50%	0.495	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-8.2	165.9	-63.8	-179.5	1.4	0	0	112.8	E593 A598 Y599 K600	E593-Q602 PolarHBondContact OE1-NE2 2.76Å; A598-Q602 PolarHBondContact O-N 2.85Å; Y599-Q602 WeakPolarHBondContact O-CB 3.39Å; Y599-Q602 PolarHBondContact O-N 2.79Å; Y599-Q602 VanDerWaalsContact O-N 3.12Å; K600-Q602 PolarHBondContact O-N 3.45Å
603	G	80.6	Confident	91.5	Very high	44 Å²	44	38.6 Å²	38.6	45%	0.454	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.1	16.1	-178	0	0	0	0	0	114.2	K600 H601	K600-G603 PolarHBondContact O-N 3.1Å; H601-G603 VanDerWaalsContact C-N 3.31Å
604	N	86.9	Confident	91.3	Very high	47 Å²	47	37.6 Å²	37.6	25%	0.251	21%	0.207	S	C	.	.			trans	-73.2	155.7	176.9	-66.8	24.4	0	0	0	111.5	Y599 Y609 M628	Y599-N604 WeakPolarHBondContact CD1-ND2 3.41Å; Y599-N604 WeakPolarHBondContact O-CB 3.35Å; Y599-N604 PolarHBondContact O-N 3.08Å; N604-Y609 HydrophobicContact CB-CE1 4.47Å; N604-M628 HydrophobicContact CB-CE 4Å; N604-M628 HydrophobicContact CB-SD 4.29Å
605	A	86.1	Confident	91.2	Very high	71 Å²	71	36.8 Å²	36.8	59%	0.587	21%	0.205	S	C	*	.			trans	-105.5	162.9	179.1	0	0	0	0	0	111.4	Y609 M628	A605-Y609 WeakPolarHBondContact O-CE2 3.32Å; A605-Y609 PolarHBondContact O-OH 3.42Å; A605-M628 VanDerWaalsContact C-CE 3.45Å; A605-M628 WeakPolarHBondContact O-CE 3.3Å
606	S	91.8	Very high	90.9	Very high	48 Å²	48	37.2 Å²	37.2	34%	0.336	21%	0.208	S	C	.	.	S	Bend	trans	-50.6	140.6	-179.6	-56.2	0	0	0	0	113.2	C626 N627 M628	S606-C626 CarbonylContact C-O 3.55Å; S606-C626 WeakPolarHBondContact CA-O 3.28Å; S606-C626 WeakPolarHBondContact CB-O 3.2Å; S606-N627 PolarHBondContact OG-OD1 3.2Å; S606-M628 PolarHBondContact OG-N 2.79Å
607	G	94.5	Very high	90.5	Very high	17 Å²	17	37.7 Å²	37.7	18%	0.175	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.8	-176.8	-175.5	0	0	0	0	0	112.4	Y609 C626	G607-Y609 VanDerWaalsContact O-CD2 3.26Å; G607-Y609 WeakPolarHBondContact O-CD2 3.31Å; G607-C626 PolarHBondContact N-O 2.87Å; G607-C626 PolarHBondContact O-N 2.82Å
608	F	95.9	Very high	90.3	Very high	140 Å²	140	41.5 Å²	41.5	61%	0.614	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	132.5	172.6	-73.7	-85.1	0	0	0	110.7	L623 L624 Y625	F608-L623 HydrophobicContact CB-CD1 3.95Å; F608-L623 HydrophobicContact CB-CG 4.48Å; F608-L623 HydrophobicContact CD1-CG 4.37Å; F608-L624 WeakPolarHBondContact CA-O 3.39Å; F608-Y625 HydrophobicContact CD1-CD2 4.29Å; F608-Y625 AromaticContact CD2-CD2 3.81Å; F608-Y625 HydrophobicContact CD2-CD2 3.81Å; F608-Y625 HydrophobicContact CD2-CE2 4.43Å; F608-Y625 HydrophobicContact CE1-CD2 4.21Å; F608-Y625 HydrophobicContact CE1-CG 4.5Å; F608-Y625 AromaticContact CE2-CD2 3.71Å; F608-Y625 HydrophobicContact CE2-CD2 3.71Å; F608-Y625 HydrophobicContact CE2-CE2 4.33Å; F608-Y625 HydrophobicContact CG-CD2 4.1Å; F608-Y625 AromaticContact CZ-CD2 3.92Å; F608-Y625 HydrophobicContact CZ-CD2 3.92Å; F608-Y625 HydrophobicContact CZ-CG 4.46Å
609	Y	96	Very high	90.2	Very high	47 Å²	47	42.7 Å²	42.7	18%	0.184	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	141.3	179.1	-66	-89.6	0	0	0	109.9	Y599 N604 A605 G607 L624 C626 M628	Y599-Y609 HydrophobicContact CD1-CD1 4.05Å; Y599-Y609 HydrophobicContact CD1-CE1 4.24Å; Y599-Y609 AromaticContact CD2-CD1 3.91Å; Y599-Y609 HydrophobicContact CD2-CD1 3.91Å; Y599-Y609 AromaticContact CD2-CG 3.94Å; Y599-Y609 HydrophobicContact CD2-CG 3.94Å; Y599-Y609 AromaticContact CE1-CD1 3.99Å; Y599-Y609 HydrophobicContact CE1-CD1 3.99Å; Y599-Y609 HydrophobicContact CE1-CE1 4.45Å; Y599-Y609 AromaticContact CE2-CD1 3.83Å; Y599-Y609 HydrophobicContact CE2-CD1 3.83Å; Y599-Y609 AromaticContact CE2-CG 3.99Å; Y599-Y609 HydrophobicContact CE2-CG 3.99Å; Y599-Y609 HydrophobicContact CG-CD1 4.02Å; Y599-Y609 HydrophobicContact CG-CE1 4.37Å; Y599-Y609 HydrophobicContact CG-CG 4.39Å; Y599-Y609 AromaticContact CZ-CD1 3.89Å; N604-Y609 HydrophobicContact CB-CE1 4.47Å; A605-Y609 WeakPolarHBondContact O-CE2 3.32Å; A605-Y609 PolarHBondContact O-OH 3.42Å; G607-Y609 VanDerWaalsContact O-CD2 3.26Å; G607-Y609 WeakPolarHBondContact O-CD2 3.31Å; Y609-L624 PolarHBondContact N-O 3.33Å; Y609-L624 PolarHBondContact O-N 2.99Å; Y609-C626 HydrophobicContact CD2-CB 3.74Å; Y609-C626 HydrophobicContact CE2-CB 4.18Å; Y609-M628 HydrophobicContact CD2-CE 3.99Å; Y609-M628 HydrophobicContact CE2-CE 3.23Å
610	Y	96.7	Very high	90.1	Very high	108 Å²	108	48.3 Å²	48.3	42%	0.424	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	132.2	162.1	-76.3	-87.3	0	0	0	108.3	Y592 Y599 F622 L623	Y592-Y610 VanDerWaalsContact CD1-CB 3.41Å; Y592-Y610 HydrophobicContact CD1-CG 4.37Å; Y592-Y610 VanDerWaalsContact CE1-CB 3.48Å; Y592-Y610 HydrophobicContact CE1-CD2 4.08Å; Y592-Y610 AromaticContact CE1-CG 3.96Å; Y592-Y610 HydrophobicContact CE1-CG 3.96Å; Y592-Y610 HydrophobicContact CE2-CG 4.44Å; Y592-Y610 AromaticContact CZ-CG 3.98Å; Y599-Y610 WeakPolarHBondContact CE2-O 3.44Å; Y599-Y610 PolarHBondContact OH-O 3.36Å; Y610-F622 WeakPolarHBondContact CA-O 3.21Å; Y610-L623 HydrophobicContact CD1-CB 4.18Å; Y610-L623 HydrophobicContact CD2-CD1 3.87Å; Y610-L623 HydrophobicContact CE1-CB 3.93Å; Y610-L623 HydrophobicContact CE2-CD1 3.87Å; Y610-L623 HydrophobicContact CG-CD1 4.25Å
611	I	94.9	Very high	90.4	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.015	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	133.4	178.1	-63.4	-165.1	0	0	0	108.5	E593 Q594 Y599 P621 F622 L624	E593-I611 WeakPolarHBondContact O-CA 3.49Å; Q594-I611 VanDerWaalsContact O-CG2 3.32Å; Q594-I611 WeakPolarHBondContact O-CG2 3.33Å; Y599-I611 HydrophobicContact CE2-CG1 4.46Å; I611-P621 WeakPolarHBondContact O-CA 3.19Å; I611-F622 PolarHBondContact N-O 3.09Å; I611-F622 WeakPolarHBondContact O-CD1 3.08Å; I611-F622 PolarHBondContact O-N 2.76Å; I611-L624 HydrophobicContact CB-CD2 4.43Å; I611-L624 HydrophobicContact CD1-CD1 3.61Å; I611-L624 HydrophobicContact CD1-CD2 3.94Å; I611-L624 HydrophobicContact CD1-CG 3.88Å; I611-L624 HydrophobicContact CG1-CD1 4.32Å; I611-L624 HydrophobicContact CG1-CD2 4.38Å; I611-L624 HydrophobicContact CG1-CG 4.17Å
612	D	95	Very high	90.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.274	C	S	.	.			trans	-114.7	89.6	175.8	-172.9	-18.1	0	0	0	108.5	Y582 S590 E593 Q594 D614 G615 P621	Y582-D612 WeakPolarHBondContact CE1-OD2 3.1Å; Y582-D612 PolarHBondContact OH-OD2 3.23Å; S590-D612 WeakPolarHBondContact CB-OD2 3.4Å; S590-D612 VanDerWaalsContact OG-CB 3.32Å; S590-D612 WeakPolarHBondContact OG-CB 3.41Å; S590-D612 PolarHBondContact OG-OD2 2.77Å; E593-D612 PolarHBondContact O-N 2.82Å; E593-D612 VanDerWaalsContact O-N 3.12Å; Q594-D612 WeakPolarHBondContact CA-O 3.18Å; Q594-D612 WeakPolarHBondContact CB-O 3.5Å; Q594-D612 VanDerWaalsContact CG-O 3.25Å; Q594-D612 WeakPolarHBondContact CG-O 3.5Å; D612-D614 VanDerWaalsContact C-N 3.25Å; D612-D614 PolarHBondContact O-N 3.2Å; D612-D614 VanDerWaalsContact OD1-OD1 3.1Å; D612-G615 PolarHBondContact O-N 3.01Å; D612-G615 WeakPolarHBondContact OD1-CA 3.46Å; D612-G615 PolarHBondContact OD1-N 3.38Å; D612-P621 HydrophobicContact CB-CB 4.16Å; D612-P621 HydrophobicContact CB-CG 4.12Å
613	S	92.4	Very high	91.2	Very high	12 Å²	12	46.8 Å²	46.8	8%	0.084	27%	0.269	C	S	.	.	S	Bend	trans	-68.4	-23.7	-165	-66	0	0	0	0	114
614	D	89.9	Confident	91.9	Very high	25 Å²	25	45 Å²	45	13%	0.134	25%	0.249	C	C	.	.	S	Bend	trans	-107.8	-8.3	178.4	58.9	-33.6	0	0	0	113.3	D612 S616 G617 P618 L619 G941	D612-D614 VanDerWaalsContact C-N 3.25Å; D612-D614 PolarHBondContact O-N 3.2Å; D612-D614 VanDerWaalsContact OD1-OD1 3.1Å; D614-S616 PolarHBondContact O-N 3.09Å; D614-G617 PolarHBondContact O-N 2.71Å; D614-G617 WeakPolarHBondContact OD2-CA 3.2Å; D614-P618 WeakPolarHBondContact OD2-CD 3.22Å; D614-L619 WeakPolarHBondContact OD1-CB 3.45Å; D614-L619 WeakPolarHBondContact OD2-CB 3.28Å; D614-L619 WeakPolarHBondContact OD2-CG 3.26Å; D614-L619 PolarHBondContact OD2-N 3.12Å; D614-G941 VanDerWaalsContact O-CA 3.27Å; D614-G941 WeakPolarHBondContact O-CA 3.49Å
615	G	89.9	Confident	92.4	Very high	8 Å²	8	46.6 Å²	46.6	8%	0.082	25%	0.252	C	S	.	.	S	Bend	trans	68	-113.3	175.3	0	0	0	0	0	110.7	Y582 D612 G617	Y582-G615 WeakPolarHBondContact CE1-O 3.43Å; D612-G615 PolarHBondContact O-N 3.01Å; D612-G615 WeakPolarHBondContact OD1-CA 3.46Å; D612-G615 PolarHBondContact OD1-N 3.38Å; G615-G617 PolarHBondContact O-N 3.32Å
616	S	87.5	Confident	92.9	Very high	19 Å²	19	43.2 Å²	43.2	13%	0.133	22%	0.224	C	C	.	.	S	Bend	trans	-75.8	16.4	176.3	-41.9	0	0	0	0	114	H588 D614	H588-S616 PolarHBondContact CD2-OG 3.26Å; H588-S616 WeakPolarHBondContact CE1-CB 3.4Å; H588-S616 WeakPolarHBondContact NE2-CB 3.42Å; H588-S616 PolarHBondContact NE2-OG 2.87Å; H588-S616 VanDerWaalsContact NE2-OG 3.12Å; H588-S616 PolarHBondContact O-OG 2.8Å; D614-S616 PolarHBondContact O-N 3.09Å
617	G	87	Confident	93	Very high	10 Å²	10	43.5 Å²	43.5	10%	0.103	22%	0.222	C	C	.	.	S	Bend	trans	-81	176.1	176.5	0	0	0	0	0	112.2	H562 D614 G615 L619	H562-G617 PolarHBondContact NE2-O 3.07Å; H562-G617 VanDerWaalsContact NE2-O 3.09Å; D614-G617 PolarHBondContact O-N 2.71Å; D614-G617 WeakPolarHBondContact OD2-CA 3.2Å; G615-G617 PolarHBondContact O-N 3.32Å; G617-L619 VanDerWaalsContact C-N 3.28Å; G617-L619 PolarHBondContact O-N 3.4Å
618	P	85.6	Confident	92.7	Very high	99 Å²	99	43.2 Å²	43.2	64%	0.643	22%	0.216	S	C	*	.	S	Bend	trans	-73.7	-13.3	-173.5	30.9	-36.5	0	0	0	114.6	D614	D614-P618 WeakPolarHBondContact OD2-CD 3.22Å
619	L	90.5	Very high	92.2	Very high	33 Å²	33	39.3 Å²	39.3	17%	0.173	20%	0.204	C	C	.	.	S	Bend	trans	-81.5	141.4	-178	-51.4	176.3	0	0	0	110.4	Y582 D614 G617 E666 Q667 A670	Y582-L619 PolarHBondContact OH-O 3.49Å; D614-L619 WeakPolarHBondContact OD1-CB 3.45Å; D614-L619 WeakPolarHBondContact OD2-CB 3.28Å; D614-L619 WeakPolarHBondContact OD2-CG 3.26Å; D614-L619 PolarHBondContact OD2-N 3.12Å; G617-L619 VanDerWaalsContact C-N 3.28Å; G617-L619 PolarHBondContact O-N 3.4Å; L619-E666 HydrophobicContact CD1-CB 4.29Å; L619-E666 HydrophobicContact CD2-CB 3.67Å; L619-E666 HydrophobicContact CD2-CG 4.47Å; L619-Q667 HydrophobicContact CB-CG 4.45Å; L619-A670 HydrophobicContact CD1-CB 3.88Å
620	Q	91	Very high	91.4	Very high	139 Å²	139	44.3 Å²	44.3	65%	0.65	23%	0.229	S	C	*	.	P	Polyproline II helix	trans	-79	157.1	176.3	-69.3	-176.8	-8.9	0	0	111.7	Q667	Q620-Q667 PolarHBondContact O-NE2 2.94Å
621	P	94.4	Very high	90.9	Very high	22 Å²	22	41.5 Å²	41.5	14%	0.143	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-64.8	147.2	173.4	-17.1	31.2	0	0	0	111.5	Y582 Y592 I611 D612	Y582-P621 HydrophobicContact CE2-CG 4.26Å; Y582-P621 WeakPolarHBondContact OH-CD 3.01Å; Y592-P621 HydrophobicContact CD2-CB 3.49Å; Y592-P621 VanDerWaalsContact CD2-CB 3.49Å; Y592-P621 HydrophobicContact CD2-CG 3.52Å; Y592-P621 HydrophobicContact CE2-CB 3.88Å; Y592-P621 HydrophobicContact CE2-CG 3.88Å; Y592-P621 HydrophobicContact CG-CB 4.34Å; I611-P621 WeakPolarHBondContact O-CA 3.19Å; D612-P621 HydrophobicContact CB-CB 4.16Å; D612-P621 HydrophobicContact CB-CG 4.12Å
622	F	94.7	Very high	90.7	Very high	15 Å²	15	41.4 Å²	41.4	7%	0.066	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	148.4	178.9	63.9	-74.3	0	0	0	112.4	Y610 I611 L624 A663 Q667 A671	Y610-F622 WeakPolarHBondContact CA-O 3.21Å; I611-F622 PolarHBondContact N-O 3.09Å; I611-F622 WeakPolarHBondContact O-CD1 3.08Å; I611-F622 PolarHBondContact O-N 2.76Å; F622-L624 HydrophobicContact CD2-CD2 4.15Å; F622-L624 HydrophobicContact CE2-CD2 3.48Å; F622-L624 VanDerWaalsContact CE2-CD2 3.48Å; F622-L624 HydrophobicContact CZ-CD2 3.99Å; F622-A663 HydrophobicContact CD2-CB 3.48Å; F622-A663 VanDerWaalsContact CD2-CB 3.48Å; F622-A663 HydrophobicContact CE2-CB 3.72Å; F622-A663 HydrophobicContact CG-CB 4.18Å; F622-Q667 HydrophobicContact CD1-CB 3.81Å; F622-Q667 HydrophobicContact CD1-CG 3.71Å; F622-Q667 HydrophobicContact CE1-CB 3.75Å; F622-Q667 HydrophobicContact CE1-CG 4.04Å; F622-Q667 HydrophobicContact CE2-CB 4.48Å; F622-Q667 HydrophobicContact CG-CB 4.26Å; F622-Q667 HydrophobicContact CG-CG 4.28Å; F622-Q667 HydrophobicContact CZ-CB 4.09Å; F622-A671 HydrophobicContact CZ-CB 4.08Å
623	L	95.1	Very high	90.7	Very high	75 Å²	75	43.6 Å²	43.6	39%	0.393	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	128.2	-175.8	-172.9	63.6	0	0	0	111	F608 Y610	F608-L623 HydrophobicContact CB-CD1 3.95Å; F608-L623 HydrophobicContact CB-CG 4.48Å; F608-L623 HydrophobicContact CD1-CG 4.37Å; Y610-L623 HydrophobicContact CD1-CB 4.18Å; Y610-L623 HydrophobicContact CD2-CD1 3.87Å; Y610-L623 HydrophobicContact CE1-CB 3.93Å; Y610-L623 HydrophobicContact CE2-CD1 3.87Å; Y610-L623 HydrophobicContact CG-CD1 4.25Å
624	L	94.7	Very high	90.9	Very high	7 Å²	7	43.9 Å²	43.9	4%	0.037	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	169.2	173.1	65	77.5	0	0	0	112.1	C596 F608 Y609 I611 F622 T634 M636	C596-L624 VanDerWaalsContact SG-CD1 3.59Å; F608-L624 WeakPolarHBondContact CA-O 3.39Å; Y609-L624 PolarHBondContact N-O 3.33Å; Y609-L624 PolarHBondContact O-N 2.99Å; I611-L624 HydrophobicContact CB-CD2 4.43Å; I611-L624 HydrophobicContact CD1-CD1 3.61Å; I611-L624 HydrophobicContact CD1-CD2 3.94Å; I611-L624 HydrophobicContact CD1-CG 3.88Å; I611-L624 HydrophobicContact CG1-CD1 4.32Å; I611-L624 HydrophobicContact CG1-CD2 4.38Å; I611-L624 HydrophobicContact CG1-CG 4.17Å; F622-L624 HydrophobicContact CD2-CD2 4.15Å; F622-L624 HydrophobicContact CE2-CD2 3.48Å; F622-L624 VanDerWaalsContact CE2-CD2 3.48Å; F622-L624 HydrophobicContact CZ-CD2 3.99Å; L624-T634 HydrophobicContact CD1-CG2 3.69Å; L624-T634 HydrophobicContact CD2-CG2 3.46Å; L624-T634 VanDerWaalsContact CD2-CG2 3.46Å; L624-T634 HydrophobicContact CG-CG2 4.22Å; L624-M636 HydrophobicContact CD2-CG 4.28Å
625	Y	96.5	Very high	91.3	Very high	80 Å²	80	43.4 Å²	43.4	31%	0.314	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	120.6	178	-172.3	-97.1	0	0	0	111.3	F608 N627 V635	F608-Y625 HydrophobicContact CD1-CD2 4.29Å; F608-Y625 AromaticContact CD2-CD2 3.81Å; F608-Y625 HydrophobicContact CD2-CD2 3.81Å; F608-Y625 HydrophobicContact CD2-CE2 4.43Å; F608-Y625 HydrophobicContact CE1-CD2 4.21Å; F608-Y625 HydrophobicContact CE1-CG 4.5Å; F608-Y625 AromaticContact CE2-CD2 3.71Å; F608-Y625 HydrophobicContact CE2-CD2 3.71Å; F608-Y625 HydrophobicContact CE2-CE2 4.33Å; F608-Y625 HydrophobicContact CG-CD2 4.1Å; F608-Y625 AromaticContact CZ-CD2 3.92Å; F608-Y625 HydrophobicContact CZ-CD2 3.92Å; F608-Y625 HydrophobicContact CZ-CG 4.46Å; Y625-N627 HydrophobicContact CD1-CB 4.19Å; Y625-N627 HydrophobicContact CE1-CB 3.83Å; Y625-V635 HydrophobicContact CD1-CB 4.38Å; Y625-V635 HydrophobicContact CD1-CG2 4.14Å; Y625-V635 PolarHBondContact N-O 2.87Å; Y625-V635 WeakPolarHBondContact O-CB 3.37Å; Y625-V635 PolarHBondContact O-N 3.2Å
626	C	96.4	Very high	91.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	112.8	170.9	-66.7	0	0	0	0	109.9	C596 S606 G607 Y609 M628	C596-C626 WeakPolarHBondContact CA-SG 3.16Å; C596-C626 HydrophobicContact CB-CB 3.65Å; C596-C626 WeakPolarHBondContact CB-SG 3.4Å; C596-C626 WeakPolarHBondContact SG-CA 3.21Å; C596-C626 WeakPolarHBondContact SG-CB 3.32Å; C596-C626 CovalentContact SG-SG 2.04Å; C596-C626 PolarHBondContact SG-SG 2.69Å; S606-C626 CarbonylContact C-O 3.55Å; S606-C626 WeakPolarHBondContact CA-O 3.28Å; S606-C626 WeakPolarHBondContact CB-O 3.2Å; G607-C626 PolarHBondContact N-O 2.87Å; G607-C626 PolarHBondContact O-N 2.82Å; Y609-C626 HydrophobicContact CD2-CB 3.74Å; Y609-C626 HydrophobicContact CE2-CB 4.18Å; C626-M628 HydrophobicContact CB-CE 3.85Å; C626-M628 HydrophobicContact CB-CG 4.14Å; C626-M628 PolarHBondContact O-N 2.9Å
627	N	94.4	Very high	91.8	Very high	54 Å²	54	46.1 Å²	46.1	29%	0.289	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	88.9	170.4	-169.6	8.4	0	0	0	110.1	S606 Y625 T629 T631 W633 V635	S606-N627 PolarHBondContact OG-OD1 3.2Å; Y625-N627 HydrophobicContact CD1-CB 4.19Å; Y625-N627 HydrophobicContact CE1-CB 3.83Å; N627-T629 PolarHBondContact O-N 3.03Å; N627-T629 VanDerWaalsContact O-N 3.17Å; N627-T629 WeakPolarHBondContact OD1-CG2 3.14Å; N627-T631 VanDerWaalsContact O-O 3.13Å; N627-W633 HydrophobicContact CB-CB 4.17Å; N627-W633 PolarHBondContact N-O 3.15Å; N627-W633 PolarHBondContact O-N 3.08Å; N627-V635 HydrophobicContact CB-CG2 4.3Å
628	M	88.2	Confident	92.2	Very high	11 Å²	11	46.2 Å²	46.2	5%	0.054	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	68.9	-175.5	-65.1	-176.6	-103.4	0	0	112	K600 N604 A605 S606 Y609 C626 A632	K600-M628 WeakPolarHBondContact CA-SD 3.42Å; K600-M628 HydrophobicContact CB-CB 4.4Å; K600-M628 HydrophobicContact CB-CG 3.99Å; K600-M628 HydrophobicContact CB-SD 3.63Å; K600-M628 HydrophobicContact CG-CB 4.41Å; K600-M628 HydrophobicContact CG-SD 4.47Å; K600-M628 PolarHBondContact N-SD 2.84Å; K600-M628 VanDerWaalsContact N-SD 3.39Å; N604-M628 HydrophobicContact CB-CE 4Å; N604-M628 HydrophobicContact CB-SD 4.29Å; A605-M628 VanDerWaalsContact C-CE 3.45Å; A605-M628 WeakPolarHBondContact O-CE 3.3Å; S606-M628 PolarHBondContact OG-N 2.79Å; Y609-M628 HydrophobicContact CD2-CE 3.99Å; Y609-M628 HydrophobicContact CE2-CE 3.23Å; C626-M628 HydrophobicContact CB-CE 3.85Å; C626-M628 HydrophobicContact CB-CG 4.14Å; C626-M628 PolarHBondContact O-N 2.9Å; M628-A632 HydrophobicContact CG-CB 4.45Å
629	T	85.2	Confident	92.4	Very high	59 Å²	59	46.4 Å²	46.4	36%	0.362	23%	0.232	S	C	.	.	S	Bend	trans	-85.8	-144.8	171.7	57.9	0	0	0	0	110	N627 T631 P996	N627-T629 PolarHBondContact O-N 3.03Å; N627-T629 VanDerWaalsContact O-N 3.17Å; N627-T629 WeakPolarHBondContact OD1-CG2 3.14Å; T629-T631 PolarHBondContact N-O 2.87Å; T629-T631 PolarHBondContact O-N 3.2Å; T629-T631 PolarHBondContact OG1-O 2.91Å; T629-T631 VanDerWaalsContact OG1-O 3.14Å; T629-P996 WeakPolarHBondContact O-CB 3.32Å; T629-P996 WeakPolarHBondContact O-CG 3.23Å
630	E	79.9	Confident	92.2	Very high	151 Å²	151	45.9 Å²	45.9	71%	0.706	23%	0.234	S	C	*	.	S	Bend	trans	-56	-36.2	170.6	-64.6	-171.8	173.1	0	0	111.4	K600	K600-E630 PolarHBondContact NZ-O 3.14Å
631	T	85.8	Confident	91.9	Very high	50 Å²	50	41.5 Å²	41.5	31%	0.307	22%	0.219	S	C	.	.	S	Bend	trans	-110.6	138.5	171.6	51.8	0	0	0	0	109.9	N627 T629 W633	N627-T631 VanDerWaalsContact O-O 3.13Å; T629-T631 PolarHBondContact N-O 2.87Å; T629-T631 PolarHBondContact O-N 3.2Å; T629-T631 PolarHBondContact OG1-O 2.91Å; T629-T631 VanDerWaalsContact OG1-O 3.14Å; T631-W633 PolarHBondContact O-N 3.12Å; T631-W633 PolarHBondContact OG1-NE1 3.2Å
632	A	91	Very high	91.8	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.008	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	111.2	171.4	0	0	0	0	0	109.2	C596 E597 K600 M628 R788	C596-A632 HydrophobicContact CB-CB 4.21Å; E597-A632 HydrophobicContact CB-CB 4.37Å; E597-A632 WeakPolarHBondContact OE2-CB 3.2Å; K600-A632 HydrophobicContact CB-CB 4.35Å; K600-A632 HydrophobicContact CD-CB 3.79Å; M628-A632 HydrophobicContact CG-CB 4.45Å; A632-R788 WeakPolarHBondContact O-CA 3.38Å; A632-R788 WeakPolarHBondContact O-CB 3.39Å
633	W	95.7	Very high	91.7	Very high	46 Å²	46	50.1 Å²	50.1	17%	0.174	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	125.9	172.4	-68.1	95.5	0	0	0	110.3	N627 T631 V635 Q679 L786 C787 R788	N627-W633 HydrophobicContact CB-CB 4.17Å; N627-W633 PolarHBondContact N-O 3.15Å; N627-W633 PolarHBondContact O-N 3.08Å; T631-W633 PolarHBondContact O-N 3.12Å; T631-W633 PolarHBondContact OG1-NE1 3.2Å; W633-V635 HydrophobicContact CB-CG2 4.44Å; W633-Q679 HydrophobicContact CH2-CG 4.41Å; W633-Q679 HydrophobicContact CZ3-CG 4.21Å; W633-L786 HydrophobicContact CE3-CB 3.72Å; W633-L786 HydrophobicContact CZ3-CB 3.81Å; W633-C787 CarbonylContact C-O 3.54Å; W633-C787 WeakPolarHBondContact CA-O 3.32Å; W633-R788 HydrophobicContact CD2-CB 4.1Å; W633-R788 HydrophobicContact CE3-CB 3.85Å; W633-R788 HydrophobicContact CE3-CG 4.21Å; W633-R788 HydrophobicContact CH2-CG 4.03Å; W633-R788 HydrophobicContact CZ2-CG 4.46Å; W633-R788 HydrophobicContact CZ3-CB 4.08Å; W633-R788 HydrophobicContact CZ3-CG 3.9Å
634	T	96.8	Very high	91.7	Very high	18 Å²	18	50.7 Å²	50.7	11%	0.11	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	114.4	165.6	-55.2	0	0	0	0	107.9	C596 L624 M636 C787	C596-T634 PolarHBondContact SG-OG1 2.93Å; L624-T634 HydrophobicContact CD1-CG2 3.69Å; L624-T634 HydrophobicContact CD2-CG2 3.46Å; L624-T634 VanDerWaalsContact CD2-CG2 3.46Å; L624-T634 HydrophobicContact CG-CG2 4.22Å; T634-M636 HydrophobicContact CG2-CE 4.1Å; T634-M636 HydrophobicContact CG2-CG 4.33Å; T634-C787 PolarHBondContact N-O 2.87Å; T634-C787 PolarHBondContact O-N 3.16Å
635	V	96.6	Very high	91.8	Very high	15 Å²	15	57.5 Å²	57.5	9%	0.091	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	110.7	-176.7	-174.4	0	0	0	0	109.5	Y625 N627 W633 P784 L786	Y625-V635 HydrophobicContact CD1-CB 4.38Å; Y625-V635 HydrophobicContact CD1-CG2 4.14Å; Y625-V635 PolarHBondContact N-O 2.87Å; Y625-V635 WeakPolarHBondContact O-CB 3.37Å; Y625-V635 PolarHBondContact O-N 3.2Å; N627-V635 HydrophobicContact CB-CG2 4.3Å; W633-V635 HydrophobicContact CB-CG2 4.44Å; V635-P784 HydrophobicContact CG1-CB 3.83Å; V635-P784 HydrophobicContact CG1-CG 3.96Å; V635-L786 HydrophobicContact CB-CD2 4.2Å; V635-L786 HydrophobicContact CG1-CD2 3.9Å; V635-L786 HydrophobicContact CG2-CD2 3.78Å
636	M	94.8	Very high	91.7	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.015	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	114.8	-178.8	-69.9	169.3	-83.7	0	0	110.1	L624 T634 L668 A671 P784 L785 C787	L624-M636 HydrophobicContact CD2-CG 4.28Å; T634-M636 HydrophobicContact CG2-CE 4.1Å; T634-M636 HydrophobicContact CG2-CG 4.33Å; M636-L668 HydrophobicContact CB-CD2 4.18Å; M636-L668 HydrophobicContact CG-CD2 4.14Å; M636-L668 HydrophobicContact SD-CD2 3.43Å; M636-L668 WeakPolarHBondContact SD-CD2 3.21Å; M636-A671 HydrophobicContact SD-CB 4.22Å; M636-P784 WeakPolarHBondContact O-CA 3.2Å; M636-P784 WeakPolarHBondContact O-CB 3.49Å; M636-L785 HydrophobicContact CB-CB 4.21Å; M636-L785 HydrophobicContact CE-CB 4.49Å; M636-L785 HydrophobicContact CE-CD2 3.5Å; M636-L785 HydrophobicContact CE-CG 3.86Å; M636-L785 PolarHBondContact N-O 2.94Å; M636-L785 PolarHBondContact O-N 3.18Å; M636-L785 HydrophobicContact SD-CD2 4.15Å; M636-C787 HydrophobicContact CE-CB 4.02Å; M636-C787 VanDerWaalsContact CE-SG 3.52Å
637	Q	93.8	Very high	91.5	Very high	81 Å²	81	61.1 Å²	61.1	38%	0.379	31%	0.305	S	S	.	.			trans	-89.1	155.3	-174.7	-63.9	-69.9	-4.8	0	0	111.8	Y661 T662	Q637-Y661 WeakPolarHBondContact O-CA 3.39Å; Q637-Y661 WeakPolarHBondContact O-CD1 3.33Å; Q637-T662 PolarHBondContact O-N 2.91Å
638	H	94.8	Very high	91.4	Very high	11 Å²	11	63.8 Å²	63.8	5%	0.051	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-134.6	165.5	172.6	62.8	87	0	0	0	110.2	G640 F659 E660 Y661 L782 G783	H638-G640 PolarHBondContact CE1-O 2.73Å; H638-G640 VanDerWaalsContact CE1-O 3.25Å; H638-G640 PolarHBondContact ND1-N 3.08Å; H638-G640 VanDerWaalsContact ND1-N 3.17Å; H638-G640 PolarHBondContact O-N 3.27Å; H638-F659 HydrophobicContact CB-CB 4.38Å; H638-F659 AromaticContact CE1-CD1 3.56Å; H638-F659 AromaticContact ND1-CD1 3.4Å; H638-F659 WeakPolarHBondContact ND1-CD1 3.42Å; H638-E660 CarbonylContact C-O 3.56Å; H638-E660 WeakPolarHBondContact CA-O 3.39Å; H638-E660 VanDerWaalsContact CB-O 3.28Å; H638-E660 WeakPolarHBondContact CB-O 3.2Å; H638-Y661 HydrophobicContact CB-CD1 3.96Å; H638-Y661 HydrophobicContact CB-CD2 4.26Å; H638-Y661 HydrophobicContact CB-CE1 4.03Å; H638-Y661 HydrophobicContact CB-CE2 4.31Å; H638-Y661 HydrophobicContact CB-CG 4.07Å; H638-L782 PolarHBondContact CE1-O 3.47Å; H638-L782 PolarHBondContact NE2-O 3.08Å; H638-G783 PolarHBondContact NE2-O 2.78Å
639	N	91	Very high	91.5	Very high	104 Å²	104	63.6 Å²	63.6	56%	0.556	32%	0.318	S	S	*	.	S	Bend	trans	-72	7.1	-174.2	67.5	-8	0	0	0	116.1	E660	N639-E660 PolarHBondContact N-O 2.88Å; N639-E660 PolarHBondContact OD1-N 2.95Å
640	G	85	Confident	91.5	Very high	21 Å²	21	64.8 Å²	64.8	22%	0.216	32%	0.32	C	S	.	.			trans	-134.5	44.1	-164.2	0	0	0	0	0	115.2	H638	H638-G640 PolarHBondContact CE1-O 2.73Å; H638-G640 VanDerWaalsContact CE1-O 3.25Å; H638-G640 PolarHBondContact ND1-N 3.08Å; H638-G640 VanDerWaalsContact ND1-N 3.17Å; H638-G640 PolarHBondContact O-N 3.27Å
641	S	84.5	Confident	91.6	Very high	48 Å²	48	62.2 Å²	62.2	34%	0.336	32%	0.319	S	S	.	.			trans	-83.4	-5.4	-175.2	57.2	0	0	0	0	115.3	K781	S641-K781 VanDerWaalsContact O-CD 3.24Å; S641-K781 WeakPolarHBondContact O-CD 3.13Å; S641-K781 WeakPolarHBondContact O-CE 3.34Å; S641-K781 WeakPolarHBondContact O-CG 3.21Å; S641-K781 PolarHBondContact O-NZ 3.33Å
642	D	92.2	Very high	91.5	Very high	133 Å²	133	69.2 Å²	69.2	71%	0.711	35%	0.348	S	S	*	.	S	Bend	trans	-87.1	156.1	-178.1	-67.8	-35.9	0	0	0	112.4	M644	D642-M644 PolarHBondContact O-N 2.79Å
643	L	94.1	Very high	91.5	Very high	85 Å²	85	73.5 Å²	73.5	45%	0.445	37%	0.37	S	S	.	.			trans	-74	111.1	179	-172.7	77.1	0	0	0	110.6	Y685 A779 Y780 K781	L643-Y685 HydrophobicContact CD1-CD2 4.08Å; L643-Y685 HydrophobicContact CD1-CE2 4.18Å; L643-A779 HydrophobicContact CD1-CB 4.25Å; L643-A779 HydrophobicContact CD2-CB 4.46Å; L643-A779 HydrophobicContact CG-CB 4.26Å; L643-Y780 CarbonylContact C-O 3.32Å; L643-Y780 WeakPolarHBondContact CA-O 3.38Å; L643-K781 HydrophobicContact CB-CB 4.47Å; L643-K781 HydrophobicContact CD1-CB 3.85Å
644	M	94.8	Very high	91.3	Very high	86 Å²	86	72.9 Å²	72.9	42%	0.424	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	127.6	179.3	-173.5	58.3	-179.5	0	0	111	D642 A779 Y780	D642-M644 PolarHBondContact O-N 2.79Å; M644-A779 CarbonylContact O-C 3.43Å; M644-A779 WeakPolarHBondContact O-CA 3.03Å; M644-Y780 HydrophobicContact CB-CD1 4.33Å; M644-Y780 HydrophobicContact CB-CD2 4.47Å; M644-Y780 HydrophobicContact CB-CE1 3.92Å; M644-Y780 HydrophobicContact CB-CE2 3.99Å; M644-Y780 HydrophobicContact CG-CE1 3.96Å; M644-Y780 PolarHBondContact N-O 3.17Å; M644-Y780 PolarHBondContact O-N 2.75Å
645	R	95.6	Very high	91.1	Very high	150 Å²	150	74.2 Å²	74.2	57%	0.566	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	139	174.1	-70.1	-171.5	176.8	-166.2	3.6	111.3	E777 A779	R645-E777 IonicContact NH1-OE1 3.78Å; R645-A779 HydrophobicContact CG-CB 3.99Å
646	V	94.9	Very high	91	Very high	3 Å²	3	76.9 Å²	76.9	2%	0.018	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	128.6	-174.4	-175.6	0	0	0	0	109.8	T649 H655 I768 T771 A778 Y780	V646-T649 HydrophobicContact CG1-CG2 3.55Å; V646-H655 HydrophobicContact CG1-CB 3.57Å; V646-H655 VanDerWaalsContact CG2-CD2 3.41Å; V646-H655 WeakPolarHBondContact CG2-CD2 3.46Å; V646-I768 HydrophobicContact CG1-CB 4.44Å; V646-I768 HydrophobicContact CG1-CG2 4.2Å; V646-I768 HydrophobicContact CG2-CD1 4.11Å; V646-T771 HydrophobicContact CG1-CG2 4.2Å; V646-A778 PolarHBondContact N-O 2.89Å; V646-A778 PolarHBondContact O-N 2.8Å; V646-Y780 HydrophobicContact CG2-CD1 4.09Å; V646-Y780 HydrophobicContact CG2-CE1 3.79Å
647	R	93.4	Very high	91	Very high	154 Å²	154	77 Å²	77	58%	0.581	40%	0.399	S	S	*	.			trans	-141.7	156.9	178.5	-65.7	177.6	-175.4	-167.9	-10.4	109.4	T649 T771 E777	R647-T649 PolarHBondContact O-N 2.87Å; R647-T771 WeakPolarHBondContact CA-OG1 3.32Å; R647-E777 HydrophobicContact CG-CB 4.33Å; R647-E777 HydrophobicContact CG-CG 3.74Å; R647-E777 IonicContact CZ-OE1 3.28Å; R647-E777 VanDerWaalsContact CZ-OE1 3.24Å; R647-E777 IonicContact CZ-OE2 2.87Å; R647-E777 IonicContact NE-OE1 3.78Å; R647-E777 PolarHBondContact NE-OE1 3.23Å; R647-E777 IonicContact NE-OE2 3.47Å; R647-E777 PolarHBondContact NE-OE2 2.84Å; R647-E777 IonicContact NH2-OE1 3.94Å; R647-E777 PolarHBondContact NH2-OE1 2.96Å; R647-E777 IonicContact NH2-OE2 3.79Å; R647-E777 PolarHBondContact NH2-OE2 2.8Å
648	N	90.9	Very high	91	Very high	109 Å²	109	77 Å²	77	58%	0.583	40%	0.404	S	S	*	.	S	Bend	trans	61.1	39	171.1	-164.9	37.1	0	0	0	114.8	H650 T771	N648-H650 PolarHBondContact O-CE1 2.78Å; N648-T771 WeakPolarHBondContact CA-O 3.36Å; N648-T771 PolarHBondContact N-O 2.84Å; N648-T771 PolarHBondContact N-OG1 3.04Å
649	T	90.2	Very high	91	Very high	8 Å²	8	77 Å²	77	5%	0.049	40%	0.404	C	S	.	.			trans	-103.7	152.6	175.3	67.7	0	0	0	0	112.3	V646 R647 N653 H655 I768 T769 T771 G772	V646-T649 HydrophobicContact CG1-CG2 3.55Å; R647-T649 PolarHBondContact O-N 2.87Å; T649-N653 WeakPolarHBondContact CA-O 3.41Å; T649-N653 WeakPolarHBondContact CB-O 3.34Å; T649-H655 HydrophobicContact CG2-CB 3.54Å; T649-I768 WeakPolarHBondContact CB-O 3.32Å; T649-I768 PolarHBondContact OG1-O 3.41Å; T649-I768 VanDerWaalsContact OG1-O 3.08Å; T649-T769 CarbonylContact C-O 3.18Å; T649-T769 PolarHBondContact OG1-O 2.94Å; T649-T771 WeakPolarHBondContact CB-OG1 3.41Å; T649-T771 WeakPolarHBondContact CG2-OG1 3.39Å; T649-T771 PolarHBondContact N-OG1 2.59Å; T649-T771 CarbonylContact O-C 3.59Å; T649-T771 PolarHBondContact OG1-N 2.78Å; T649-T771 PolarHBondContact OG1-OG1 3.44Å; T649-G772 WeakPolarHBondContact O-CA 3.34Å; T649-G772 PolarHBondContact O-N 3.19Å
650	H	86.6	Confident	91.1	Very high	83 Å²	83	78.1 Å²	78.1	38%	0.384	41%	0.406	S	S	.	.	B	Isolated β-bridge	trans	-149.9	173.2	176.7	9	-74.4	0	0	0	108.6	N648 E652 N653 A654 T769	N648-H650 PolarHBondContact O-CE1 2.78Å; H650-E652 PolarHBondContact O-N 2.96Å; H650-N653 PolarHBondContact N-O 3.31Å; H650-N653 VanDerWaalsContact N-O 3.08Å; H650-N653 CarbonylContact O-C 3.55Å; H650-N653 PolarHBondContact O-N 2.87Å; H650-N653 VanDerWaalsContact O-O 3.1Å; H650-A654 PolarHBondContact O-N 3.28Å; H650-A654 VanDerWaalsContact O-N 3.12Å; H650-T769 WeakPolarHBondContact CA-O 3.16Å; H650-T769 PolarHBondContact N-O 2.94Å
651	S	82.2	Confident	91.5	Very high	98 Å²	98	78.5 Å²	78.5	69%	0.685	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-34.6	-177.7	-53.2	0	0	0	0	114
652	E	83.7	Confident	91.8	Very high	196 Å²	196	81.2 Å²	81.2	92%	0.916	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-18.7	176.5	-65.4	179.7	178.6	0	0	113.4	H650	H650-E652 PolarHBondContact O-N 2.96Å
653	N	89.2	Confident	91.9	Very high	91 Å²	91	75.2 Å²	75.2	49%	0.487	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-133	67.8	179.7	-173.9	32	0	0	0	109.6	T649 H650	T649-N653 WeakPolarHBondContact CA-O 3.41Å; T649-N653 WeakPolarHBondContact CB-O 3.34Å; H650-N653 PolarHBondContact N-O 3.31Å; H650-N653 VanDerWaalsContact N-O 3.08Å; H650-N653 CarbonylContact O-C 3.55Å; H650-N653 PolarHBondContact O-N 2.87Å; H650-N653 VanDerWaalsContact O-O 3.1Å
654	A	91.2	Very high	91.8	Very high	34 Å²	34	73.5 Å²	73.5	28%	0.281	38%	0.38	S	S	.	.			trans	-79	135.7	-176.8	0	0	0	0	0	110.9	H650 V767 T769	H650-A654 PolarHBondContact O-N 3.28Å; H650-A654 VanDerWaalsContact O-N 3.12Å; A654-V767 HydrophobicContact CB-CG1 3.9Å; A654-T769 HydrophobicContact CB-CG2 3.7Å
655	H	94.5	Very high	91.6	Very high	45 Å²	45	72 Å²	72	21%	0.208	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	129.2	168.2	178.4	76.3	0	0	0	109.4	V646 T649 V767 I768 Y780	V646-H655 HydrophobicContact CG1-CB 3.57Å; V646-H655 VanDerWaalsContact CG2-CD2 3.41Å; V646-H655 WeakPolarHBondContact CG2-CD2 3.46Å; T649-H655 HydrophobicContact CG2-CB 3.54Å; H655-V767 VanDerWaalsContact O-CA 3.31Å; H655-V767 WeakPolarHBondContact O-CA 3.27Å; H655-I768 PolarHBondContact N-O 3.41Å; H655-I768 PolarHBondContact O-N 3.11Å; H655-Y780 AromaticContact CD2-CE1 3.77Å; H655-Y780 AromaticContact NE2-CE1 3.61Å; H655-Y780 AromaticContact NE2-CZ 3.84Å; H655-Y780 PolarHBondContact NE2-OH 3.44Å; H655-Y780 VanDerWaalsContact NE2-OH 3.15Å
656	T	94.3	Very high	91.5	Very high	71 Å²	71	69.5 Å²	69.5	44%	0.436	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	113.3	176.6	-57.6	0	0	0	0	109.2	V658 I766 V767	T656-V658 HydrophobicContact CG2-CG2 4.22Å; T656-I766 CarbonylContact C-O 3.6Å; T656-I766 WeakPolarHBondContact CA-O 3.46Å; T656-V767 HydrophobicContact CG2-CG2 4.3Å
657	G	93	Very high	91.5	Very high	6 Å²	6	70.5 Å²	70.5	6%	0.062	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	133.4	165.7	0	0	0	0	0	110.1	K765 I766 Y780	G657-K765 CarbonylContact O-C 3.57Å; G657-K765 WeakPolarHBondContact O-CA 3.15Å; G657-I766 PolarHBondContact N-O 2.94Å; G657-I766 PolarHBondContact O-N 3.17Å; G657-Y780 VanDerWaalsContact CA-OH 3.26Å; G657-Y780 WeakPolarHBondContact CA-OH 3.43Å
658	V	94.4	Very high	91.5	Very high	80 Å²	80	63.3 Å²	63.3	49%	0.485	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	135.1	175	-177.7	0	0	0	0	108	T656 K765	T656-V658 HydrophobicContact CG2-CG2 4.22Å; V658-K765 HydrophobicContact CG2-CG 4.38Å
659	F	94.9	Very high	91.6	Very high	11 Å²	11	61.6 Å²	61.6	5%	0.048	33%	0.333	C	S	.	.			trans	-116.9	113	-179.4	-56.4	-76.2	0	0	0	109.6	H638 V763 T764 I766 Y780 L782	H638-F659 HydrophobicContact CB-CB 4.38Å; H638-F659 AromaticContact CE1-CD1 3.56Å; H638-F659 AromaticContact ND1-CD1 3.4Å; H638-F659 WeakPolarHBondContact ND1-CD1 3.42Å; F659-V763 HydrophobicContact CD2-CG1 4.18Å; F659-V763 HydrophobicContact CE2-CG1 4.18Å; F659-T764 PolarHBondContact N-O 2.84Å; F659-I766 HydrophobicContact CE2-CB 4.23Å; F659-I766 HydrophobicContact CE2-CG2 3.78Å; F659-I766 HydrophobicContact CZ-CG2 3.98Å; F659-Y780 HydrophobicContact CE1-CE2 4.25Å; F659-Y780 HydrophobicContact CZ-CD2 4.18Å; F659-Y780 AromaticContact CZ-CE2 3.67Å; F659-Y780 HydrophobicContact CZ-CE2 3.67Å; F659-L782 HydrophobicContact CB-CD2 4.18Å; F659-L782 HydrophobicContact CD1-CB 4.29Å; F659-L782 HydrophobicContact CD1-CD2 3.77Å; F659-L782 HydrophobicContact CD2-CD2 3.46Å; F659-L782 VanDerWaalsContact CD2-CD2 3.46Å; F659-L782 HydrophobicContact CE1-CB 3.67Å; F659-L782 HydrophobicContact CE1-CD2 3.89Å; F659-L782 HydrophobicContact CE1-CG 4.45Å; F659-L782 HydrophobicContact CE2-CB 4.26Å; F659-L782 HydrophobicContact CE2-CD2 3.6Å; F659-L782 HydrophobicContact CG-CD2 3.53Å; F659-L782 HydrophobicContact CZ-CB 3.64Å; F659-L782 HydrophobicContact CZ-CD2 3.79Å; F659-L782 HydrophobicContact CZ-CG 4.34Å
660	E	93.3	Very high	91.7	Very high	129 Å²	129	62.4 Å²	62.4	60%	0.603	34%	0.341	S	S	*	.			trans	-99.9	124.9	176.8	-63.1	176.4	169.7	0	0	109.3	H638 N639	H638-E660 CarbonylContact C-O 3.56Å; H638-E660 WeakPolarHBondContact CA-O 3.39Å; H638-E660 VanDerWaalsContact CB-O 3.28Å; H638-E660 WeakPolarHBondContact CB-O 3.2Å; N639-E660 PolarHBondContact N-O 2.88Å; N639-E660 PolarHBondContact OD1-N 2.95Å
661	Y	94.5	Very high	92	Very high	28 Å²	28	59 Å²	59	11%	0.11	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-86.8	154.5	179.5	-73.5	-95.4	0	0	0	110.6	Q637 H638 A663 L668 Q680 P762 V763 L785	Q637-Y661 WeakPolarHBondContact O-CA 3.39Å; Q637-Y661 WeakPolarHBondContact O-CD1 3.33Å; H638-Y661 HydrophobicContact CB-CD1 3.96Å; H638-Y661 HydrophobicContact CB-CD2 4.26Å; H638-Y661 HydrophobicContact CB-CE1 4.03Å; H638-Y661 HydrophobicContact CB-CE2 4.31Å; H638-Y661 HydrophobicContact CB-CG 4.07Å; Y661-A663 PolarHBondContact O-N 3.02Å; Y661-L668 HydrophobicContact CD1-CD1 4.19Å; Y661-L668 HydrophobicContact CD1-CD2 4.2Å; Y661-L668 HydrophobicContact CD2-CD1 3.95Å; Y661-L668 HydrophobicContact CG-CD1 3.65Å; Y661-L668 HydrophobicContact CG-CD2 4.4Å; Y661-Q680 PolarHBondContact OH-NE2 3.41Å; Y661-Q680 PolarHBondContact OH-OE1 3.38Å; Y661-P762 HydrophobicContact CE1-CB 4.11Å; Y661-P762 HydrophobicContact CE2-CB 3.67Å; Y661-P762 HydrophobicContact CE2-CG 4.12Å; Y661-P762 WeakPolarHBondContact OH-CB 3.34Å; Y661-V763 PolarHBondContact OH-O 3.2Å; Y661-L785 HydrophobicContact CE1-CB 4.12Å
662	T	90.5	Very high	92.6	Very high	105 Å²	105	54.4 Å²	54.4	64%	0.644	30%	0.295	S	S	*	.	S	Bend	trans	-67.5	-22.9	175.5	56.2	0	0	0	0	113.1	Q637	Q637-T662 PolarHBondContact O-N 2.91Å
663	A	92.7	Very high	93	Very high	8 Å²	8	49.1 Å²	49.1	7%	0.066	27%	0.273	C	S	.	.	S	Bend	trans	-100.9	148.8	176.7	0	0	0	0	0	110.7	F622 Y661 Q667 L668	F622-A663 HydrophobicContact CD2-CB 3.48Å; F622-A663 VanDerWaalsContact CD2-CB 3.48Å; F622-A663 HydrophobicContact CE2-CB 3.72Å; F622-A663 HydrophobicContact CG-CB 4.18Å; Y661-A663 PolarHBondContact O-N 3.02Å; A663-Q667 HydrophobicContact CB-CB 4.12Å; A663-L668 HydrophobicContact CB-CD2 3.9Å; A663-L668 HydrophobicContact CB-CG 4.03Å
664	S	93	Very high	93.1	Very high	49 Å²	49	45.8 Å²	45.8	34%	0.343	25%	0.253	S	S	.	.			trans	-61.3	159.5	172.5	62	0	0	0	0	111.5	E666 Q667 L668	S664-E666 PolarHBondContact O-N 3.36Å; S664-Q667 PolarHBondContact O-N 2.91Å; S664-Q667 WeakPolarHBondContact OG-CB 3.35Å; S664-Q667 WeakPolarHBondContact OG-CG 3.48Å; S664-Q667 PolarHBondContact OG-N 2.93Å; S664-Q667 PolarHBondContact OG-OE1 3.29Å; S664-L668 WeakPolarHBondContact O-CG 3.47Å; S664-L668 PolarHBondContact O-N 3.03Å
665	M	91.1	Very high	93.3	Very high	54 Å²	54	44.4 Å²	44.4	27%	0.266	24%	0.242	S	C	.	.	H	α-helix	trans	-63.6	-33.7	-176.8	-162.1	63.1	-156.3	0	0	112.1	L668 Q669 R706 P762	M665-L668 HydrophobicContact SD-CD1 4.15Å; M665-Q669 HydrophobicContact CE-CG 4.43Å; M665-Q669 WeakPolarHBondContact O-CB 3.28Å; M665-Q669 VanDerWaalsContact O-CG 3.22Å; M665-Q669 WeakPolarHBondContact O-CG 3.22Å; M665-Q669 PolarHBondContact O-N 3.34Å; M665-R706 HydrophobicContact CE-CB 3.15Å; M665-P762 HydrophobicContact CE-CG 4.36Å
666	E	92.5	Very high	93.1	Very high	98 Å²	98	46.6 Å²	46.6	46%	0.458	25%	0.252	S	S	.	.	H	α-helix	trans	-66.5	-46	176	-63.4	69.6	-153.4	0	0	111.2	L619 S664 Q669 A670	L619-E666 HydrophobicContact CD1-CB 4.29Å; L619-E666 HydrophobicContact CD2-CB 3.67Å; L619-E666 HydrophobicContact CD2-CG 4.47Å; S664-E666 PolarHBondContact O-N 3.36Å; E666-Q669 PolarHBondContact O-N 3.26Å; E666-A670 PolarHBondContact O-N 2.82Å
667	Q	94.4	Very high	93.1	Very high	24 Å²	24	46 Å²	46	11%	0.112	24%	0.244	C	C	.	.	H	α-helix	trans	-61.8	-44	175.1	-76.7	165.7	-29.9	0	0	111.7	L619 Q620 F622 A663 S664 Q669 A670 A671	L619-Q667 HydrophobicContact CB-CG 4.45Å; Q620-Q667 PolarHBondContact O-NE2 2.94Å; F622-Q667 HydrophobicContact CD1-CB 3.81Å; F622-Q667 HydrophobicContact CD1-CG 3.71Å; F622-Q667 HydrophobicContact CE1-CB 3.75Å; F622-Q667 HydrophobicContact CE1-CG 4.04Å; F622-Q667 HydrophobicContact CE2-CB 4.48Å; F622-Q667 HydrophobicContact CG-CB 4.26Å; F622-Q667 HydrophobicContact CG-CG 4.28Å; F622-Q667 HydrophobicContact CZ-CB 4.09Å; A663-Q667 HydrophobicContact CB-CB 4.12Å; S664-Q667 PolarHBondContact O-N 2.91Å; S664-Q667 WeakPolarHBondContact OG-CB 3.35Å; S664-Q667 WeakPolarHBondContact OG-CG 3.48Å; S664-Q667 PolarHBondContact OG-N 2.93Å; S664-Q667 PolarHBondContact OG-OE1 3.29Å; Q667-Q669 VanDerWaalsContact C-N 3.35Å; Q667-Q669 PolarHBondContact O-N 3.36Å; Q667-A670 PolarHBondContact O-N 3.48Å; Q667-A671 PolarHBondContact O-N 2.94Å
668	L	93.8	Very high	93.3	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-60.3	-45.4	174.9	-68.9	173.9	0	0	0	111.1	M636 Y661 A663 S664 M665 A670 A671 I672 P762	M636-L668 HydrophobicContact CB-CD2 4.18Å; M636-L668 HydrophobicContact CG-CD2 4.14Å; M636-L668 HydrophobicContact SD-CD2 3.43Å; M636-L668 WeakPolarHBondContact SD-CD2 3.21Å; Y661-L668 HydrophobicContact CD1-CD1 4.19Å; Y661-L668 HydrophobicContact CD1-CD2 4.2Å; Y661-L668 HydrophobicContact CD2-CD1 3.95Å; Y661-L668 HydrophobicContact CG-CD1 3.65Å; Y661-L668 HydrophobicContact CG-CD2 4.4Å; A663-L668 HydrophobicContact CB-CD2 3.9Å; A663-L668 HydrophobicContact CB-CG 4.03Å; S664-L668 WeakPolarHBondContact O-CG 3.47Å; S664-L668 PolarHBondContact O-N 3.03Å; M665-L668 HydrophobicContact SD-CD1 4.15Å; L668-A670 PolarHBondContact O-N 3.48Å; L668-A671 PolarHBondContact O-N 3.2Å; L668-I672 HydrophobicContact CB-CD1 4.5Å; L668-I672 WeakPolarHBondContact O-CB 3.42Å; L668-I672 WeakPolarHBondContact O-CD1 3.43Å; L668-I672 WeakPolarHBondContact O-CG1 3.31Å; L668-I672 PolarHBondContact O-N 3.21Å; L668-P762 HydrophobicContact CD1-CG 4.03Å
669	Q	92.9	Very high	93.4	Very high	74 Å²	74	43.7 Å²	43.7	35%	0.346	23%	0.227	S	C	.	.	H	α-helix	trans	-62	-43	178.2	-77	175.9	15.1	0	0	111.9	M665 E666 Q667 I672 N673	M665-Q669 HydrophobicContact CE-CG 4.43Å; M665-Q669 WeakPolarHBondContact O-CB 3.28Å; M665-Q669 VanDerWaalsContact O-CG 3.22Å; M665-Q669 WeakPolarHBondContact O-CG 3.22Å; M665-Q669 PolarHBondContact O-N 3.34Å; E666-Q669 PolarHBondContact O-N 3.26Å; Q667-Q669 VanDerWaalsContact C-N 3.35Å; Q667-Q669 PolarHBondContact O-N 3.36Å; Q669-I672 PolarHBondContact O-N 3.39Å; Q669-N673 VanDerWaalsContact O-CB 3.22Å; Q669-N673 WeakPolarHBondContact O-CB 3.24Å; Q669-N673 PolarHBondContact O-N 2.92Å; Q669-N673 PolarHBondContact O-ND2 3.27Å; Q669-N673 PolarHBondContact O-OD1 3.49Å
670	A	92.4	Very high	93.4	Very high	25 Å²	25	43.2 Å²	43.2	21%	0.207	23%	0.225	C	C	.	.	H	α-helix	trans	-59.6	-49.2	176.2	0	0	0	0	0	111.5	L619 E666 Q667 L668 N673 R674	L619-A670 HydrophobicContact CD1-CB 3.88Å; E666-A670 PolarHBondContact O-N 2.82Å; Q667-A670 PolarHBondContact O-N 3.48Å; L668-A670 PolarHBondContact O-N 3.48Å; A670-N673 PolarHBondContact O-N 2.66Å; A670-R674 WeakPolarHBondContact O-CB 3.5Å; A670-R674 PolarHBondContact O-N 3.02Å; A670-R674 VanDerWaalsContact O-N 3.08Å
671	A	93.7	Very high	93.5	Very high	12 Å²	12	40.8 Å²	40.8	10%	0.099	21%	0.213	C	C	.	.	H	α-helix	trans	-64.8	-41.9	178.5	0	0	0	0	0	113	F622 M636 Q667 L668 A675	F622-A671 HydrophobicContact CZ-CB 4.08Å; M636-A671 HydrophobicContact SD-CB 4.22Å; Q667-A671 PolarHBondContact O-N 2.94Å; L668-A671 PolarHBondContact O-N 3.2Å; A671-A675 PolarHBondContact O-N 2.78Å
672	I	94.6	Very high	93.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.8	-54.4	175.3	-69.9	163.3	0	0	0	109.2	L668 Q669 R674 A675 K758 P762 L785	L668-I672 HydrophobicContact CB-CD1 4.5Å; L668-I672 WeakPolarHBondContact O-CB 3.42Å; L668-I672 WeakPolarHBondContact O-CD1 3.43Å; L668-I672 WeakPolarHBondContact O-CG1 3.31Å; L668-I672 PolarHBondContact O-N 3.21Å; Q669-I672 PolarHBondContact O-N 3.39Å; I672-R674 PolarHBondContact O-N 2.68Å; I672-A675 WeakPolarHBondContact O-CB 3.25Å; I672-A675 PolarHBondContact O-N 3.39Å; I672-K758 VanDerWaalsContact C-CE 3.49Å; I672-K758 HydrophobicContact CG2-CD 4.28Å; I672-K758 HydrophobicContact CG2-CG 3.6Å; I672-K758 WeakPolarHBondContact O-CE 3.27Å; I672-K758 PolarHBondContact O-NZ 3.26Å; I672-P762 HydrophobicContact CD1-CG 4.05Å; I672-L785 HydrophobicContact CD1-CD2 3.67Å; I672-L785 HydrophobicContact CG1-CD2 3.77Å
673	N	92.2	Very high	93.6	Very high	85 Å²	85	35.3 Å²	35.3	46%	0.455	18%	0.183	S	C	.	.	H	α-helix	trans	-58.9	-36.3	-174.6	-69.4	-12.1	0	0	0	112	Q669 A670 R706 K758	Q669-N673 VanDerWaalsContact O-CB 3.22Å; Q669-N673 WeakPolarHBondContact O-CB 3.24Å; Q669-N673 PolarHBondContact O-N 2.92Å; Q669-N673 PolarHBondContact O-ND2 3.27Å; Q669-N673 PolarHBondContact O-OD1 3.49Å; A670-N673 PolarHBondContact O-N 2.66Å; N673-R706 PolarHBondContact OD1-NH1 3.41Å; N673-R706 VanDerWaalsContact OD1-NH1 3.1Å; N673-R706 PolarHBondContact OD1-NH2 2.8Å; N673-K758 PolarHBondContact O-NZ 3.43Å
674	R	91.9	Very high	93.7	Very high	21 Å²	21	35 Å²	35	8%	0.079	18%	0.18	C	C	.	.	H	α-helix	trans	-65.9	-36.8	173.7	-173.8	171.2	-174.9	106	5	114.2	A670 I672 D790 R791 P792	A670-R674 WeakPolarHBondContact O-CB 3.5Å; A670-R674 PolarHBondContact O-N 3.02Å; A670-R674 VanDerWaalsContact O-N 3.08Å; I672-R674 PolarHBondContact O-N 2.68Å; R674-D790 IonicContact CZ-OD1 2.62Å; R674-D790 VanDerWaalsContact CZ-OD1 3.25Å; R674-D790 IonicContact CZ-OD2 3.49Å; R674-D790 VanDerWaalsContact CZ-OD2 3.28Å; R674-D790 IonicContact NE-OD1 3.65Å; R674-D790 PolarHBondContact NE-OD1 2.87Å; R674-D790 IonicContact NE-OD2 3.03Å; R674-D790 PolarHBondContact NE-OD2 2.86Å; R674-D790 IonicContact NH2-OD1 3.19Å; R674-D790 PolarHBondContact NH2-OD1 2.99Å; R674-D790 VanDerWaalsContact NH2-OD1 3.09Å; R674-D790 IonicContact NH2-OD2 3.72Å; R674-D790 PolarHBondContact NH2-OD2 2.92Å; R674-R791 PolarHBondContact O-N 3.09Å; R674-P792 HydrophobicContact CG-CG 3.97Å; R674-P792 WeakPolarHBondContact O-CD 3.45Å
675	A	94	Very high	93.9	Very high	5 Å²	5	36.8 Å²	36.8	4%	0.041	18%	0.179	C	C	.	.	S	Bend	trans	-69.5	148.7	-178.5	0	0	0	0	0	112.7	A671 I672 K758 C787 G789	A671-A675 PolarHBondContact O-N 2.78Å; I672-A675 WeakPolarHBondContact O-CB 3.25Å; I672-A675 PolarHBondContact O-N 3.39Å; A675-K758 PolarHBondContact O-NZ 3.47Å; A675-C787 HydrophobicContact CB-CB 3.72Å; A675-G789 WeakPolarHBondContact CA-O 3.18Å
676	E	91.7	Very high	94.1	Very high	92 Å²	92	34.3 Å²	34.3	43%	0.43	17%	0.167	S	C	.	.	S	Bend	trans	-76.3	-37.5	175.6	-69.3	174.7	-171.9	0	0	111.6	R788 R791	E676-R788 PolarHBondContact N-O 2.9Å; E676-R791 HydrophobicContact CG-CB 4.28Å
677	H	94.1	Very high	94.2	Very high	57 Å²	57	32 Å²	32	26%	0.264	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	138	-176.8	-173.1	72.8	0	0	0	110.6	C787 R788	H677-C787 CarbonylContact O-C 3.56Å; H677-C787 WeakPolarHBondContact O-CA 3.17Å; H677-R788 HydrophobicContact CB-CG 4.21Å; H677-R788 PolarHBondContact N-O 3.47Å; H677-R788 VanDerWaalsContact N-O 3.17Å; H677-R788 PolarHBondContact O-N 3.44Å
678	C	96.4	Very high	94.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	142.8	174.5	-66.9	0	0	0	0	109.9	S756 K758 L761 L785 L786 C787	C678-S756 WeakPolarHBondContact O-CA 3.48Å; C678-K758 HydrophobicContact CB-CG 4.43Å; C678-L761 HydrophobicContact CB-CD1 4.33Å; C678-L785 HydrophobicContact CB-CD1 4.29Å; C678-L786 CarbonylContact C-O 3.56Å; C678-L786 VanDerWaalsContact CA-O 3.3Å; C678-L786 WeakPolarHBondContact CA-O 3.32Å; C678-C787 HydrophobicContact CB-CB 4.19Å; C678-C787 WeakPolarHBondContact CB-SG 3.42Å; C678-C787 WeakPolarHBondContact SG-CB 3.19Å; C678-C787 CovalentContact SG-SG 2.05Å; C678-C787 PolarHBondContact SG-SG 3.26Å
679	Q	96.3	Very high	94.2	Very high	39 Å²	39	33.7 Å²	33.7	18%	0.182	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	157.3	177.6	64.4	-178.9	-0.2	0	0	111.9	W633 F754 L755 L786	W633-Q679 HydrophobicContact CH2-CG 4.41Å; W633-Q679 HydrophobicContact CZ3-CG 4.21Å; Q679-F754 HydrophobicContact CB-CD1 4.17Å; Q679-F754 HydrophobicContact CG-CD1 4.03Å; Q679-F754 HydrophobicContact CG-CE1 4.46Å; Q679-L755 CarbonylContact C-O 3.6Å; Q679-L755 WeakPolarHBondContact CA-O 3.34Å; Q679-L786 HydrophobicContact CG-CB 4.16Å; Q679-L786 PolarHBondContact N-O 2.91Å; Q679-L786 PolarHBondContact O-N 2.91Å
680	Q	95.4	Very high	94.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	129	177.7	-163.2	167.6	19.4	0	0	109.9	Y661 F754 L755 L761 V763 L782 G783 L785	Y661-Q680 PolarHBondContact OH-NE2 3.41Å; Y661-Q680 PolarHBondContact OH-OE1 3.38Å; Q680-F754 WeakPolarHBondContact O-CA 3.42Å; Q680-L755 PolarHBondContact N-O 3.29Å; Q680-L755 PolarHBondContact O-N 2.84Å; Q680-L761 HydrophobicContact CB-CD2 4.01Å; Q680-V763 VanDerWaalsContact OE1-N 3.09Å; Q680-L782 HydrophobicContact CG-CD1 3.8Å; Q680-L782 HydrophobicContact CG-CG 4.29Å; Q680-G783 VanDerWaalsContact CG-O 3.23Å; Q680-G783 WeakPolarHBondContact CG-O 3.47Å; Q680-G783 PolarHBondContact NE2-O 3.12Å; Q680-L785 HydrophobicContact CB-CD1 4.4Å
681	E	95.4	Very high	94.1	Very high	78 Å²	78	31.7 Å²	31.7	36%	0.364	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	125.3	177.7	-170	176.2	-145.3	0	0	109.8	V683 F754 G783	E681-V683 HydrophobicContact CG-CG2 4.24Å; E681-F754 HydrophobicContact CB-CD1 4.03Å; E681-F754 HydrophobicContact CB-CE1 3.65Å; E681-F754 HydrophobicContact CB-CZ 4.01Å; E681-F754 HydrophobicContact CG-CE1 4.3Å; E681-F754 HydrophobicContact CG-CE2 4.48Å; E681-F754 HydrophobicContact CG-CZ 4.18Å; E681-G783 PolarHBondContact O-N 3.3Å
682	L	93.4	Very high	93.9	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	109.5	172.3	180	57.8	0	0	0	108.5	W714 T752 G753 L755 I766 L782	L682-W714 HydrophobicContact CD2-CE3 3.65Å; L682-W714 HydrophobicContact CD2-CZ3 3.6Å; L682-W714 HydrophobicContact CG-CE3 4.44Å; L682-W714 HydrophobicContact CG-CZ3 4.33Å; L682-T752 WeakPolarHBondContact O-CA 3.44Å; L682-G753 PolarHBondContact N-O 3.26Å; L682-G753 PolarHBondContact O-N 3.02Å; L682-G753 VanDerWaalsContact O-N 3.11Å; L682-L755 HydrophobicContact CB-CD1 4.36Å; L682-L755 HydrophobicContact CB-CG 4.48Å; L682-L755 HydrophobicContact CD2-CD1 4.11Å; L682-I766 HydrophobicContact CD1-CD1 4.1Å; L682-L782 HydrophobicContact CB-CD1 4.48Å; L682-L782 HydrophobicContact CD1-CD1 4.09Å
683	V	94.4	Very high	93.4	Very high	17 Å²	17	33.6 Å²	33.6	10%	0.103	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	123	175.2	-178.1	0	0	0	0	107.7	E681 Y685 T752 Y780 K781	E681-V683 HydrophobicContact CG-CG2 4.24Å; V683-Y685 HydrophobicContact CG1-CD2 3.87Å; V683-Y685 HydrophobicContact CG1-CE2 3.26Å; V683-T752 HydrophobicContact CB-CG2 4.21Å; V683-T752 HydrophobicContact CG1-CG2 4.36Å; V683-T752 HydrophobicContact CG2-CG2 3.85Å; V683-Y780 CarbonylContact O-C 3.53Å; V683-Y780 WeakPolarHBondContact O-CA 3.21Å; V683-K781 HydrophobicContact CB-CB 4.05Å; V683-K781 WeakPolarHBondContact CB-O 3.22Å; V683-K781 HydrophobicContact CG2-CB 4.47Å; V683-K781 PolarHBondContact N-O 2.83Å; V683-K781 PolarHBondContact O-N 3.31Å
684	Y	94	Very high	92.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	114.1	-179.8	-170.7	-91.6	0	0	0	110.6	C686 L691 S701 W714 C741 N750 D751 I768 A778	Y684-C686 HydrophobicContact CD1-CB 4.49Å; Y684-C686 HydrophobicContact CE1-CB 3.93Å; Y684-L691 HydrophobicContact CD1-CD2 3.9Å; Y684-L691 HydrophobicContact CE1-CD2 3.34Å; Y684-L691 HydrophobicContact CE1-CG 4.21Å; Y684-L691 HydrophobicContact CE2-CD2 4.29Å; Y684-S701 PolarHBondContact OH-OG 2.84Å; Y684-W714 AromaticContact CD2-CH2 3.93Å; Y684-W714 HydrophobicContact CD2-CH2 3.93Å; Y684-W714 AromaticContact CD2-CZ3 3.59Å; Y684-W714 HydrophobicContact CD2-CZ3 3.59Å; Y684-W714 AromaticContact CE2-CH2 3.95Å; Y684-W714 HydrophobicContact CE2-CH2 3.95Å; Y684-W714 HydrophobicContact CE2-CZ3 4.1Å; Y684-W714 HydrophobicContact CG-CE3 4.4Å; Y684-W714 AromaticContact CG-CZ3 3.89Å; Y684-W714 HydrophobicContact CG-CZ3 3.89Å; Y684-C741 HydrophobicContact CE1-CB 4.43Å; Y684-N750 CarbonylContact O-C 3.6Å; Y684-N750 WeakPolarHBondContact O-CA 3.4Å; Y684-N750 VanDerWaalsContact O-CB 3.25Å; Y684-N750 WeakPolarHBondContact O-CB 3.22Å; Y684-D751 PolarHBondContact O-N 3.04Å; Y684-I768 HydrophobicContact CE2-CD1 3.76Å; Y684-I768 HydrophobicContact CE2-CG1 4.18Å; Y684-A778 HydrophobicContact CE2-CB 4.45Å
685	Y	96.3	Very high	92	Very high	87 Å²	87	43.6 Å²	43.6	34%	0.341	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	144.9	173.9	-63.6	-82.3	0	0	0	110	L643 V683 T749 N750 A778 A779	L643-Y685 HydrophobicContact CD1-CD2 4.08Å; L643-Y685 HydrophobicContact CD1-CE2 4.18Å; V683-Y685 HydrophobicContact CG1-CD2 3.87Å; V683-Y685 HydrophobicContact CG1-CE2 3.26Å; Y685-T749 WeakPolarHBondContact CA-O 3.37Å; Y685-N750 HydrophobicContact CD1-CB 3.44Å; Y685-N750 VanDerWaalsContact CD1-CB 3.44Å; Y685-N750 HydrophobicContact CE1-CB 3.65Å; Y685-N750 HydrophobicContact CG-CB 4.18Å; Y685-A778 CarbonylContact O-C 3.52Å; Y685-A778 VanDerWaalsContact O-CA 3.31Å; Y685-A778 WeakPolarHBondContact O-CA 3.41Å; Y685-A779 PolarHBondContact N-O 3.38Å; Y685-A779 PolarHBondContact O-N 2.91Å
686	C	95.3	Very high	91.3	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.014	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	150.7	-177.5	54.8	0	0	0	0	111.1	Y684 S689 C741 W748 T749	Y684-C686 HydrophobicContact CD1-CB 4.49Å; Y684-C686 HydrophobicContact CE1-CB 3.93Å; C686-S689 WeakPolarHBondContact CB-O 3.32Å; C686-C741 HydrophobicContact CB-CB 3.74Å; C686-C741 WeakPolarHBondContact CB-SG 3.42Å; C686-C741 WeakPolarHBondContact SG-CA 3.3Å; C686-C741 WeakPolarHBondContact SG-CB 3.29Å; C686-C741 CovalentContact SG-SG 2.01Å; C686-C741 PolarHBondContact SG-SG 3.46Å; C686-W748 WeakPolarHBondContact O-CA 3.48Å; C686-T749 PolarHBondContact N-O 3.43Å; C686-T749 PolarHBondContact O-N 2.87Å; C686-T749 PolarHBondContact SG-OG1 3.36Å
687	K	96.1	Very high	90.8	Very high	51 Å²	51	46 Å²	46	22%	0.222	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	113.8	170.8	-175.1	-177	-172.6	179.3	0	106.9	S689 N746 W748 S776 E777	K687-S689 PolarHBondContact O-N 2.81Å; K687-S689 VanDerWaalsContact O-N 3.14Å; K687-N746 WeakPolarHBondContact CE-O 3.42Å; K687-N746 VanDerWaalsContact CE-OD1 3.31Å; K687-N746 WeakPolarHBondContact CE-OD1 3.42Å; K687-W748 HydrophobicContact CB-CD2 4.15Å; K687-W748 HydrophobicContact CB-CE3 4.14Å; K687-W748 HydrophobicContact CB-CZ3 4.43Å; K687-S776 CarbonylContact O-C 3.45Å; K687-S776 VanDerWaalsContact O-CA 3.26Å; K687-S776 WeakPolarHBondContact O-CA 3.31Å; K687-E777 HydrophobicContact CB-CB 4.49Å; K687-E777 PolarHBondContact N-O 2.91Å; K687-E777 PolarHBondContact O-N 2.94Å; K687-E777 VanDerWaalsContact O-O 3.13Å
688	K	93.5	Very high	90.5	Very high	61 Å²	61	44.8 Å²	44.8	27%	0.265	23%	0.226	S	C	.	.	S	Bend	trans	44.7	41.1	-170.8	-49.8	-171.3	80.2	-178.8	0	113.5	D744 L745 N746 R773 H775 S776	K688-D744 WeakPolarHBondContact CA-OD1 3.37Å; K688-L745 WeakPolarHBondContact CG-O 3.39Å; K688-L745 PolarHBondContact N-O 2.91Å; K688-N746 HydrophobicContact CD-CB 3.99Å; K688-N746 HydrophobicContact CG-CB 4.12Å; K688-R773 VanDerWaalsContact O-CZ 3.28Å; K688-R773 PolarHBondContact O-NH2 3.48Å; K688-H775 HydrophobicContact CD-CB 4.28Å; K688-S776 VanDerWaalsContact O-CB 3.26Å; K688-S776 WeakPolarHBondContact O-CB 3.35Å; K688-S776 PolarHBondContact O-OG 3.05Å
689	S	94.1	Very high	90.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.241	C	C	.	.			trans	-137	109.5	-177.6	173.8	0	0	0	0	108.4	C686 K687 D770	C686-S689 WeakPolarHBondContact CB-O 3.32Å; K687-S689 PolarHBondContact O-N 2.81Å; K687-S689 VanDerWaalsContact O-N 3.14Å; S689-D770 WeakPolarHBondContact CA-O 3.5Å; S689-D770 WeakPolarHBondContact CB-O 3.3Å; S689-D770 PolarHBondContact OG-O 3.34Å
690	R	92.1	Very high	89.9	Confident	55 Å²	55	47.5 Å²	47.5	21%	0.208	24%	0.241	C	C	.	.			trans	-88.7	158	-172.3	-61.4	163.8	-67.2	174.8	-0	111.4	R700 D744 D770	R690-R700 WeakPolarHBondContact O-CB 3.4Å; R690-D744 HydrophobicContact CG-CB 4.07Å; R690-D770 WeakPolarHBondContact CB-OD2 3.39Å; R690-D770 IonicContact CZ-OD2 3.55Å; R690-D770 PolarHBondContact N-OD2 2.81Å; R690-D770 IonicContact NE-OD2 3.03Å; R690-D770 PolarHBondContact NE-OD2 2.92Å; R690-D770 IonicContact NH2-OD1 2.99Å; R690-D770 IonicContact NH2-OD2 3.02Å; R690-D770 PolarHBondContact NH2-OD2 2.83Å
691	L	91.2	Very high	89.7	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	24%	0.241	C	C	.	.	S	Bend	trans	-89.7	-41.4	173.1	-64.7	178.4	0	0	0	110.6	Y684 R700 S701 W714 C739 C741 D742 D751	Y684-L691 HydrophobicContact CD1-CD2 3.9Å; Y684-L691 HydrophobicContact CE1-CD2 3.34Å; Y684-L691 HydrophobicContact CE1-CG 4.21Å; Y684-L691 HydrophobicContact CE2-CD2 4.29Å; L691-R700 PolarHBondContact O-N 2.88Å; L691-S701 PolarHBondContact O-N 3.37Å; L691-S701 VanDerWaalsContact O-N 3.14Å; L691-W714 HydrophobicContact CD1-CD2 3.97Å; L691-W714 HydrophobicContact CD1-CG 3.86Å; L691-W714 HydrophobicContact CD2-CD2 4.03Å; L691-W714 HydrophobicContact CD2-CE3 4.41Å; L691-W714 HydrophobicContact CD2-CH2 3.9Å; L691-W714 HydrophobicContact CD2-CZ2 3.47Å; L691-W714 VanDerWaalsContact CD2-CZ2 3.47Å; L691-W714 HydrophobicContact CD2-CZ3 4.34Å; L691-C739 HydrophobicContact CD1-CB 4.17Å; L691-C741 HydrophobicContact CD1-CB 4.22Å; L691-C741 HydrophobicContact CG-CB 3.97Å; L691-D742 WeakPolarHBondContact CA-OD1 3.46Å; L691-D742 WeakPolarHBondContact CB-OD1 3.47Å; L691-D742 PolarHBondContact N-OD1 2.82Å; L691-D751 HydrophobicContact CD1-CB 4.36Å
692	V	89.7	Confident	89.6	Confident	38 Å²	38	46.6 Å²	46.6	23%	0.23	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-131.6	145.1	178.7	-177.8	0	0	0	0	109.6	D742	V692-D742 PolarHBondContact N-OD1 2.82Å
693	N	84	Confident	89.7	Confident	15 Å²	15	46.5 Å²	46.5	8%	0.08	23%	0.233	C	C	.	.			trans	-84.4	118.9	170.8	-177.9	24.5	0	0	0	110.7	Q695 D696 G697 S698 R700	N693-Q695 VanDerWaalsContact C-N 3.27Å; N693-Q695 PolarHBondContact O-N 3.44Å; N693-D696 WeakPolarHBondContact CB-OD1 3.35Å; N693-D696 VanDerWaalsContact ND2-CG 3.32Å; N693-D696 PolarHBondContact ND2-OD1 3.29Å; N693-G697 WeakPolarHBondContact O-CA 3.31Å; N693-G697 PolarHBondContact O-N 2.8Å; N693-S698 PolarHBondContact N-O 3.01Å; N693-R700 HydrophobicContact CB-CG 4.47Å; N693-R700 VanDerWaalsContact CB-CZ 3.49Å; N693-R700 PolarHBondContact ND2-NH2 3.29Å
694	Q	77	Confident	89.7	Confident	131 Å²	131	46.2 Å²	46.2	61%	0.612	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-29.1	-176.6	-161	-170.6	22.6	0	0	113.4
695	Q	77.8	Confident	89.7	Confident	185 Å²	185	46.3 Å²	46.3	86%	0.864	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-39.7	-174.2	-72.1	-177.5	-7.3	0	0	114	N693	N693-Q695 VanDerWaalsContact C-N 3.27Å; N693-Q695 PolarHBondContact O-N 3.44Å
696	D	79.4	Confident	89.4	Confident	100 Å²	100	43.9 Å²	43.9	54%	0.535	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.1	-4	-174.8	65.1	-11.6	0	0	0	113.1	N693 S698	N693-D696 WeakPolarHBondContact CB-OD1 3.35Å; N693-D696 VanDerWaalsContact ND2-CG 3.32Å; N693-D696 PolarHBondContact ND2-OD1 3.29Å; D696-S698 PolarHBondContact O-N 3.26Å; D696-S698 PolarHBondContact OD1-N 3.49Å; D696-S698 PolarHBondContact OD1-OG 2.95Å; D696-S698 WeakPolarHBondContact OD2-CB 3.35Å; D696-S698 PolarHBondContact OD2-OG 2.99Å
697	G	79.9	Confident	89	Confident	46 Å²	46	46.7 Å²	46.7	47%	0.474	24%	0.24	S	C	.	.			trans	71	8.5	-176.6	0	0	0	0	0	114.2	N693	N693-G697 WeakPolarHBondContact O-CA 3.31Å; N693-G697 PolarHBondContact O-N 2.8Å
698	S	87.9	Confident	88.7	Confident	33 Å²	33	49.9 Å²	49.9	23%	0.231	26%	0.259	C	S	.	.			trans	-76	135	-176	61.2	0	0	0	0	111.5	N693 D696 R700	N693-S698 PolarHBondContact N-O 3.01Å; D696-S698 PolarHBondContact O-N 3.26Å; D696-S698 PolarHBondContact OD1-N 3.49Å; D696-S698 PolarHBondContact OD1-OG 2.95Å; D696-S698 WeakPolarHBondContact OD2-CB 3.35Å; D696-S698 PolarHBondContact OD2-OG 2.99Å; S698-R700 PolarHBondContact O-NH1 3.47Å; S698-R700 VanDerWaalsContact O-NH1 3.16Å; S698-R700 PolarHBondContact OG-NH1 3.32Å; S698-R700 PolarHBondContact OG-NH2 2.95Å
699	P	89.9	Confident	88.6	Confident	49 Å²	49	52 Å²	52	32%	0.318	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-68.6	138.6	-179.6	28.9	-34.5	0	0	0	110.6	W702 T712	P699-W702 HydrophobicContact CB-CE3 4.38Å; P699-T712 HydrophobicContact CB-CG2 3.62Å; P699-T712 HydrophobicContact CG-CG2 3.88Å
700	R	90.8	Very high	88.4	Confident	46 Å²	46	55.8 Å²	55.8	17%	0.174	29%	0.294	C	S	.	.	S	Bend	trans	-103	-25.3	173.2	-71.6	-65.7	172.4	-76.9	1.4	112	R690 L691 N693 S698 T769 D770	R690-R700 WeakPolarHBondContact O-CB 3.4Å; L691-R700 PolarHBondContact O-N 2.88Å; N693-R700 HydrophobicContact CB-CG 4.47Å; N693-R700 VanDerWaalsContact CB-CZ 3.49Å; N693-R700 PolarHBondContact ND2-NH2 3.29Å; S698-R700 PolarHBondContact O-NH1 3.47Å; S698-R700 VanDerWaalsContact O-NH1 3.16Å; S698-R700 PolarHBondContact OG-NH1 3.32Å; S698-R700 PolarHBondContact OG-NH2 2.95Å; R700-T769 WeakPolarHBondContact O-CB 3.46Å; R700-T769 PolarHBondContact O-N 3.28Å; R700-T769 PolarHBondContact O-OG1 3.05Å; R700-D770 HydrophobicContact CB-CB 3.88Å; R700-D770 HydrophobicContact CG-CB 4.14Å
701	S	92.5	Very high	88.5	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	146.2	170.6	-55.7	0	0	0	0	109.2	Y684 L691 V767	Y684-S701 PolarHBondContact OH-OG 2.84Å; L691-S701 PolarHBondContact O-N 3.37Å; L691-S701 VanDerWaalsContact O-N 3.14Å; S701-V767 CarbonylContact C-O 3.6Å; S701-V767 WeakPolarHBondContact CA-O 3.49Å; S701-V767 WeakPolarHBondContact CB-O 3.38Å
702	W	92.8	Very high	88.4	Confident	60 Å²	60	56.1 Å²	56.1	23%	0.227	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	170.4	178.8	62.6	91.3	0	0	0	110.2	P699 T710 Q711 T712 V767 T769	P699-W702 HydrophobicContact CB-CE3 4.38Å; W702-T710 HydrophobicContact CB-CG2 3.75Å; W702-T710 HydrophobicContact CD2-CG2 4.21Å; W702-T710 HydrophobicContact CG-CG2 3.49Å; W702-T710 VanDerWaalsContact CG-CG2 3.49Å; W702-Q711 WeakPolarHBondContact CA-O 3.3Å; W702-Q711 VanDerWaalsContact CB-O 3.31Å; W702-Q711 WeakPolarHBondContact CB-O 3.27Å; W702-T712 HydrophobicContact CB-CG2 4.3Å; W702-V767 HydrophobicContact CD2-CB 3.94Å; W702-V767 HydrophobicContact CD2-CG1 4.31Å; W702-V767 HydrophobicContact CG-CB 4.32Å; W702-V767 HydrophobicContact CH2-CB 4.41Å; W702-V767 HydrophobicContact CH2-CG1 3.72Å; W702-V767 HydrophobicContact CZ2-CB 3.82Å; W702-V767 HydrophobicContact CZ2-CG1 3.43Å; W702-V767 VanDerWaalsContact CZ2-CG1 3.43Å; W702-V767 HydrophobicContact CZ2-CG2 4.22Å; W702-V767 HydrophobicContact CZ3-CG1 4.28Å; W702-V767 PolarHBondContact N-O 2.84Å; W702-V767 PolarHBondContact O-N 3.17Å; W702-T769 HydrophobicContact CH2-CG2 3.98Å; W702-T769 HydrophobicContact CZ3-CG2 3.95Å
703	W	94.5	Very high	88.4	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	163.3	173.9	61.9	-87	0	0	0	110.7	Q711 Y713 L755 H760 V763 K765	W703-Q711 HydrophobicContact CD2-CB 3.73Å; W703-Q711 HydrophobicContact CD2-CG 4.28Å; W703-Q711 VanDerWaalsContact CE2-CB 3.41Å; W703-Q711 HydrophobicContact CE3-CB 4.15Å; W703-Q711 HydrophobicContact CE3-CG 4.19Å; W703-Q711 HydrophobicContact CG-CB 4.26Å; W703-Q711 HydrophobicContact CH2-CB 4.1Å; W703-Q711 HydrophobicContact CH2-CG 3.87Å; W703-Q711 HydrophobicContact CZ2-CB 3.63Å; W703-Q711 HydrophobicContact CZ2-CG 3.92Å; W703-Q711 HydrophobicContact CZ3-CB 4.32Å; W703-Q711 HydrophobicContact CZ3-CG 3.99Å; W703-Q711 PolarHBondContact N-O 2.85Å; W703-Q711 PolarHBondContact O-N 3.29Å; W703-Y713 HydrophobicContact CH2-CE1 4.47Å; W703-Y713 WeakPolarHBondContact CH2-OH 3.47Å; W703-Y713 AromaticContact CZ2-CE1 3.75Å; W703-Y713 HydrophobicContact CZ2-CE1 3.75Å; W703-Y713 AromaticContact CZ2-CE2 3.9Å; W703-Y713 HydrophobicContact CZ2-CE2 3.9Å; W703-Y713 AromaticContact CZ2-CZ 3.39Å; W703-Y713 VanDerWaalsContact CZ2-OH 3.3Å; W703-Y713 WeakPolarHBondContact CZ2-OH 3.45Å; W703-Y713 PolarHBondContact NE1-O 3.35Å; W703-L755 HydrophobicContact CD2-CD1 4.13Å; W703-L755 HydrophobicContact CH2-CD1 4.19Å; W703-L755 HydrophobicContact CZ2-CD1 3.76Å; W703-L755 HydrophobicContact CZ2-CD2 3.91Å; W703-L755 HydrophobicContact CZ2-CG 4.36Å; W703-H760 HydrophobicContact CH2-CB 3.65Å; W703-H760 HydrophobicContact CZ3-CB 4.15Å; W703-V763 HydrophobicContact CB-CG1 4.2Å; W703-V763 HydrophobicContact CD2-CG2 4.21Å; W703-V763 HydrophobicContact CE3-CB 4.34Å; W703-V763 HydrophobicContact CE3-CG1 4.24Å; W703-V763 HydrophobicContact CE3-CG2 3.71Å; W703-V763 HydrophobicContact CZ3-CG2 3.96Å; W703-K765 CarbonylContact C-O 3.49Å; W703-K765 VanDerWaalsContact CA-O 3.27Å; W703-K765 WeakPolarHBondContact CA-O 3.48Å; W703-K765 WeakPolarHBondContact CB-O 3.43Å
704	V	95.4	Very high	88.5	Confident	10 Å²	10	54 Å²	54	6%	0.061	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	135.1	180	-176.9	0	0	0	0	108.3	T764 K765	V704-T764 PolarHBondContact O-N 3.17Å; V704-T764 PolarHBondContact O-OG1 3.3Å; V704-K765 HydrophobicContact CB-CB 4.07Å; V704-K765 HydrophobicContact CG2-CB 4.41Å; V704-K765 PolarHBondContact N-O 3.17Å; V704-K765 PolarHBondContact O-N 2.88Å
705	G	93.9	Very high	88.7	Confident	2 Å²	2	47.8 Å²	47.8	2%	0.021	26%	0.258	C	S	.	.			trans	-104.8	-155.1	-176.1	0	0	0	0	0	114	T707 N708 H760 P762 T764	G705-T707 VanDerWaalsContact C-N 3.31Å; G705-T707 PolarHBondContact O-N 2.82Å; G705-N708 PolarHBondContact O-N 3.31Å; G705-H760 CarbonylContact C-O 3.54Å; G705-H760 WeakPolarHBondContact CA-O 3.34Å; G705-P762 CarbonylContact C-O 3.48Å; G705-P762 WeakPolarHBondContact CA-O 3.27Å; G705-T764 PolarHBondContact O-OG1 3.15Å
706	R	89	Confident	88.6	Confident	37 Å²	37	40.7 Å²	40.7	14%	0.14	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-28.2	174.5	67	170.4	177.3	-175.6	11.6	114.8	M665 N673 N708 E759 H760 L761 P762	M665-R706 HydrophobicContact CE-CB 3.15Å; N673-R706 PolarHBondContact OD1-NH1 3.41Å; N673-R706 VanDerWaalsContact OD1-NH1 3.1Å; N673-R706 PolarHBondContact OD1-NH2 2.8Å; R706-N708 PolarHBondContact O-N 3.4Å; R706-E759 WeakPolarHBondContact CG-O 3.31Å; R706-E759 IonicContact CZ-OE2 3.02Å; R706-E759 PolarHBondContact NE-O 3.01Å; R706-E759 IonicContact NH2-OE1 3.86Å; R706-E759 IonicContact NH2-OE2 3.91Å; R706-E759 PolarHBondContact NH2-OE2 3.49Å; R706-H760 PolarHBondContact N-O 2.87Å; R706-L761 WeakPolarHBondContact CD-O 3.38Å; R706-L761 WeakPolarHBondContact CG-O 3.49Å; R706-P762 PolarHBondContact N-O 2.77Å
707	T	88.1	Confident	88.5	Confident	60 Å²	60	36 Å²	36	37%	0.368	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-3.8	-178.2	59.5	0	0	0	0	112.8	G705 E709	G705-T707 VanDerWaalsContact C-N 3.31Å; G705-T707 PolarHBondContact O-N 2.82Å; T707-E709 PolarHBondContact O-N 3.23Å; T707-E709 VanDerWaalsContact O-N 3.16Å; T707-E709 WeakPolarHBondContact OG1-CB 3.47Å; T707-E709 PolarHBondContact OG1-OE2 3.43Å; T707-E709 VanDerWaalsContact OG1-OE2 3.04Å
708	N	88.6	Confident	88.6	Confident	119 Å²	119	37.7 Å²	37.7	64%	0.636	21%	0.208	S	C	*	.			trans	58.1	18.1	-171.9	-156.4	26.4	0	0	0	113.8	G705 R706	G705-N708 PolarHBondContact O-N 3.31Å; R706-N708 PolarHBondContact O-N 3.4Å
709	E	91.9	Very high	88.3	Confident	106 Å²	106	38.3 Å²	38.3	50%	0.495	21%	0.211	S	C	.	.			trans	-91.4	146.6	175	-65.4	168.5	157.9	0	0	110.7	T707	T707-E709 PolarHBondContact O-N 3.23Å; T707-E709 VanDerWaalsContact O-N 3.16Å; T707-E709 WeakPolarHBondContact OG1-CB 3.47Å; T707-E709 PolarHBondContact OG1-OE2 3.43Å; T707-E709 VanDerWaalsContact OG1-OE2 3.04Å
710	T	91	Very high	87.6	Confident	79 Å²	79	42 Å²	42	49%	0.485	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	123	177.4	-69.4	0	0	0	0	110.6	W702 T712	W702-T710 HydrophobicContact CB-CG2 3.75Å; W702-T710 HydrophobicContact CD2-CG2 4.21Å; W702-T710 HydrophobicContact CG-CG2 3.49Å; W702-T710 VanDerWaalsContact CG-CG2 3.49Å; T710-T712 HydrophobicContact CG2-CG2 4.33Å
711	Q	92.5	Very high	86.5	Confident	19 Å²	19	44 Å²	44	9%	0.089	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.8	179.9	-56.2	-58.5	-28.4	0	0	110.4	W702 W703 Y713 H760	W702-Q711 WeakPolarHBondContact CA-O 3.3Å; W702-Q711 VanDerWaalsContact CB-O 3.31Å; W702-Q711 WeakPolarHBondContact CB-O 3.27Å; W703-Q711 HydrophobicContact CD2-CB 3.73Å; W703-Q711 HydrophobicContact CD2-CG 4.28Å; W703-Q711 VanDerWaalsContact CE2-CB 3.41Å; W703-Q711 HydrophobicContact CE3-CB 4.15Å; W703-Q711 HydrophobicContact CE3-CG 4.19Å; W703-Q711 HydrophobicContact CG-CB 4.26Å; W703-Q711 HydrophobicContact CH2-CB 4.1Å; W703-Q711 HydrophobicContact CH2-CG 3.87Å; W703-Q711 HydrophobicContact CZ2-CB 3.63Å; W703-Q711 HydrophobicContact CZ2-CG 3.92Å; W703-Q711 HydrophobicContact CZ3-CB 4.32Å; W703-Q711 HydrophobicContact CZ3-CG 3.99Å; W703-Q711 PolarHBondContact N-O 2.85Å; W703-Q711 PolarHBondContact O-N 3.29Å; Q711-Y713 HydrophobicContact CB-CD1 4.21Å; Q711-Y713 HydrophobicContact CB-CE1 3.94Å; Q711-Y713 HydrophobicContact CG-CE1 4.23Å; Q711-H760 PolarHBondContact NE2-CE1 3.08Å; Q711-H760 PolarHBondContact OE1-CE1 3.43Å; Q711-H760 PolarHBondContact OE1-ND1 2.84Å
712	T	89.1	Confident	85.6	Confident	43 Å²	43	51 Å²	51	26%	0.264	28%	0.276	S	S	.	.			trans	-108.9	-1.7	-175.3	62.9	0	0	0	0	113.7	P699 W702 T710 W714	P699-T712 HydrophobicContact CB-CG2 3.62Å; P699-T712 HydrophobicContact CG-CG2 3.88Å; W702-T712 HydrophobicContact CB-CG2 4.3Å; T710-T712 HydrophobicContact CG2-CG2 4.33Å; T712-W714 VanDerWaalsContact O-CD1 3.3Å; T712-W714 PolarHBondContact O-NE1 2.92Å
713	Y	89.4	Confident	85.3	Confident	5 Å²	5	51.5 Å²	51.5	2%	0.02	28%	0.28	C	S	.	.			trans	-85.3	155.2	171.2	73.1	-84.9	0	0	0	110.3	W703 Q711 S717 P719 L755 H760	W703-Y713 HydrophobicContact CH2-CE1 4.47Å; W703-Y713 WeakPolarHBondContact CH2-OH 3.47Å; W703-Y713 AromaticContact CZ2-CE1 3.75Å; W703-Y713 HydrophobicContact CZ2-CE1 3.75Å; W703-Y713 AromaticContact CZ2-CE2 3.9Å; W703-Y713 HydrophobicContact CZ2-CE2 3.9Å; W703-Y713 AromaticContact CZ2-CZ 3.39Å; W703-Y713 VanDerWaalsContact CZ2-OH 3.3Å; W703-Y713 WeakPolarHBondContact CZ2-OH 3.45Å; W703-Y713 PolarHBondContact NE1-O 3.35Å; Q711-Y713 HydrophobicContact CB-CD1 4.21Å; Q711-Y713 HydrophobicContact CB-CE1 3.94Å; Q711-Y713 HydrophobicContact CG-CE1 4.23Å; Y713-S717 WeakPolarHBondContact CD2-O 3.49Å; Y713-P719 HydrophobicContact CD1-CB 4.16Å; Y713-P719 HydrophobicContact CD1-CG 4.29Å; Y713-P719 HydrophobicContact CE1-CB 4.01Å; Y713-P719 HydrophobicContact CE1-CG 3.7Å; Y713-L755 HydrophobicContact CD2-CD2 4.21Å; Y713-L755 HydrophobicContact CE2-CD2 3.84Å; Y713-H760 AromaticContact CE1-ND1 3.57Å; Y713-H760 AromaticContact CZ-ND1 3.76Å; Y713-H760 PolarHBondContact OH-ND1 3.49Å
714	W	87.7	Confident	85	Confident	4 Å²	4	51.5 Å²	51.5	2%	0.015	28%	0.28	C	S	.	.			trans	-122.5	178.5	-173.7	-68.8	83.1	0	0	0	112	L682 Y684 L691 T712 G716 S717 I766	L682-W714 HydrophobicContact CD2-CE3 3.65Å; L682-W714 HydrophobicContact CD2-CZ3 3.6Å; L682-W714 HydrophobicContact CG-CE3 4.44Å; L682-W714 HydrophobicContact CG-CZ3 4.33Å; Y684-W714 AromaticContact CD2-CH2 3.93Å; Y684-W714 HydrophobicContact CD2-CH2 3.93Å; Y684-W714 AromaticContact CD2-CZ3 3.59Å; Y684-W714 HydrophobicContact CD2-CZ3 3.59Å; Y684-W714 AromaticContact CE2-CH2 3.95Å; Y684-W714 HydrophobicContact CE2-CH2 3.95Å; Y684-W714 HydrophobicContact CE2-CZ3 4.1Å; Y684-W714 HydrophobicContact CG-CE3 4.4Å; Y684-W714 AromaticContact CG-CZ3 3.89Å; Y684-W714 HydrophobicContact CG-CZ3 3.89Å; L691-W714 HydrophobicContact CD1-CD2 3.97Å; L691-W714 HydrophobicContact CD1-CG 3.86Å; L691-W714 HydrophobicContact CD2-CD2 4.03Å; L691-W714 HydrophobicContact CD2-CE3 4.41Å; L691-W714 HydrophobicContact CD2-CH2 3.9Å; L691-W714 HydrophobicContact CD2-CZ2 3.47Å; L691-W714 VanDerWaalsContact CD2-CZ2 3.47Å; L691-W714 HydrophobicContact CD2-CZ3 4.34Å; T712-W714 VanDerWaalsContact O-CD1 3.3Å; T712-W714 PolarHBondContact O-NE1 2.92Å; W714-G716 PolarHBondContact O-N 3.26Å; W714-S717 WeakPolarHBondContact O-CB 3.4Å; W714-S717 PolarHBondContact O-N 2.93Å; W714-S717 VanDerWaalsContact O-N 3.12Å; W714-I766 HydrophobicContact CH2-CD1 4Å; W714-I766 HydrophobicContact CH2-CG1 4.49Å; W714-I766 HydrophobicContact CZ3-CD1 4.08Å
715	G	80	Confident	84.7	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.01	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	133.3	-176.4	0	0	0	0	0	113.2	T725	G715-T725 PolarHBondContact O-N 3.43Å; G715-T725 PolarHBondContact O-OG1 3.15Å
716	G	76.4	Confident	84.5	Confident	36 Å²	36	53.2 Å²	53.2	37%	0.371	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.5	-9.2	-176.9	0	0	0	0	0	115.1	W714 T725 L728 F754	W714-G716 PolarHBondContact O-N 3.26Å; G716-T725 VanDerWaalsContact CA-OG1 3.3Å; G716-T725 WeakPolarHBondContact CA-OG1 3.15Å; G716-L728 WeakPolarHBondContact O-CD1 3.32Å; G716-F754 PolarHBondContact N-O 2.93Å
717	S	78.2	Confident	84.5	Confident	1 Å²	1	52 Å²	52	1%	0.007	29%	0.289	C	S	.	.			trans	-111.9	161.8	-177.8	-163.6	0	0	0	0	114.3	Y713 W714 H721 K723	Y713-S717 WeakPolarHBondContact CD2-O 3.49Å; W714-S717 WeakPolarHBondContact O-CB 3.4Å; W714-S717 PolarHBondContact O-N 2.93Å; W714-S717 VanDerWaalsContact O-N 3.12Å; S717-H721 VanDerWaalsContact OG-CB 3.25Å; S717-H721 WeakPolarHBondContact OG-CB 3.39Å; S717-H721 PolarHBondContact OG-O 3.14Å; S717-K723 WeakPolarHBondContact CB-O 3.34Å; S717-K723 PolarHBondContact OG-O 3.37Å
718	L	81.8	Confident	84.4	Confident	82 Å²	82	53 Å²	53	43%	0.429	29%	0.292	S	S	.	.			trans	-100.7	158.9	172	-66.9	172	0	0	0	109.8	V720 H721 Y757	L718-V720 PolarHBondContact O-N 3.32Å; L718-H721 PolarHBondContact O-N 3.38Å; L718-Y757 HydrophobicContact CD2-CD2 4.34Å
719	P	81.3	Confident	84.4	Confident	46 Å²	46	53.6 Å²	53.6	30%	0.299	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-29.4	-177.3	-26.7	32.5	0	0	0	115.2	Y713 H721 Y757 H760	Y713-P719 HydrophobicContact CD1-CB 4.16Å; Y713-P719 HydrophobicContact CD1-CG 4.29Å; Y713-P719 HydrophobicContact CE1-CB 4.01Å; Y713-P719 HydrophobicContact CE1-CG 3.7Å; P719-H721 VanDerWaalsContact C-N 3.32Å; P719-Y757 HydrophobicContact CG-CD1 3.67Å; P719-Y757 HydrophobicContact CG-CD2 4.42Å; P719-Y757 HydrophobicContact CG-CE1 4.01Å; P719-Y757 HydrophobicContact CG-CG 3.88Å; P719-H760 VanDerWaalsContact CG-CE1 3.5Å; P719-H760 WeakPolarHBondContact CG-CE1 3.41Å
720	V	75.2	Confident	84.2	Confident	127 Å²	127	52 Å²	52	77%	0.77	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-24.7	180	-176.9	0	0	0	0	112.4	L718	L718-V720 PolarHBondContact O-N 3.32Å
721	H	66.9	Low	84.2	Confident	88 Å²	88	52.7 Å²	52.7	41%	0.407	30%	0.304	S	S	.	.			trans	-105.7	106.5	-174.5	-58.2	-53.3	0	0	0	109.5	S717 L718 P719 K723 L728	S717-H721 VanDerWaalsContact OG-CB 3.25Å; S717-H721 WeakPolarHBondContact OG-CB 3.39Å; S717-H721 PolarHBondContact OG-O 3.14Å; L718-H721 PolarHBondContact O-N 3.38Å; P719-H721 VanDerWaalsContact C-N 3.32Å; H721-K723 PolarHBondContact O-N 3.41Å; H721-L728 HydrophobicContact CB-CD2 4.49Å
722	Q	73.9	Confident	84.1	Confident	146 Å²	146	52.7 Å²	52.7	68%	0.682	31%	0.306	S	S	*	.			trans	-75.2	51.7	171.5	-68.2	179.9	-17.9	0	0	111.4
723	K	85.8	Confident	84.3	Confident	71 Å²	71	55.9 Å²	55.9	31%	0.309	32%	0.32	S	S	.	.			trans	-127.5	161.5	179.4	-57.7	-165.6	172.6	-176.3	0	110	S717 H721 G727 L728 H738	S717-K723 WeakPolarHBondContact CB-O 3.34Å; S717-K723 PolarHBondContact OG-O 3.37Å; H721-K723 PolarHBondContact O-N 3.41Å; K723-G727 WeakPolarHBondContact CD-O 3.39Å; K723-L728 HydrophobicContact CB-CD2 4.42Å; K723-L728 HydrophobicContact CB-CG 4.32Å; K723-L728 HydrophobicContact CD-CD2 4.24Å; K723-H738 HydrophobicContact CB-CB 4.11Å; K723-H738 HydrophobicContact CD-CB 4.44Å; K723-H738 HydrophobicContact CG-CB 3.86Å
724	C	89.2	Confident	84.3	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.333	C	S	.	.			trans	-99.4	174.6	167.5	-63.4	0	0	0	0	110.5	C726 G727 L728 H738 C739 D751	C724-C726 VanDerWaalsContact C-N 3.28Å; C724-C726 PolarHBondContact O-N 3.5Å; C724-G727 WeakPolarHBondContact O-CA 3.38Å; C724-G727 PolarHBondContact O-N 2.99Å; C724-L728 PolarHBondContact O-N 3.5Å; C724-H738 PolarHBondContact N-O 2.81Å; C724-C739 HydrophobicContact CB-CB 3.8Å; C724-C739 WeakPolarHBondContact CB-SG 3.25Å; C724-C739 PolarHBondContact N-SG 2.95Å; C724-C739 WeakPolarHBondContact SG-CB 3.49Å; C724-C739 CovalentContact SG-SG 2.04Å; C724-C739 PolarHBondContact SG-SG 2.95Å; C724-D751 HydrophobicContact CB-CB 4.22Å; C724-D751 WeakPolarHBondContact CB-OD1 3.26Å
725	T	89	Confident	84.4	Confident	37 Å²	37	62.8 Å²	62.8	23%	0.227	37%	0.371	C	S	.	.	H	α-helix	trans	-45.7	-51.1	178.6	-59.5	0	0	0	0	112.1	G715 G716 G727 L728 E729	G715-T725 PolarHBondContact O-N 3.43Å; G715-T725 PolarHBondContact O-OG1 3.15Å; G716-T725 VanDerWaalsContact CA-OG1 3.3Å; G716-T725 WeakPolarHBondContact CA-OG1 3.15Å; T725-G727 PolarHBondContact O-N 2.98Å; T725-L728 PolarHBondContact O-N 3Å; T725-L728 VanDerWaalsContact O-N 3.13Å; T725-E729 PolarHBondContact O-N 2.93Å
726	C	89.9	Confident	84.8	Confident	10 Å²	10	69.6 Å²	69.6	7%	0.068	40%	0.403	C	S	.	.	H	α-helix	trans	-63.4	-29.9	-178.5	73.9	0	0	0	0	113.4	C724 L728 G730 N731 C732	C724-C726 VanDerWaalsContact C-N 3.28Å; C724-C726 PolarHBondContact O-N 3.5Å; C726-L728 VanDerWaalsContact C-N 3.32Å; C726-G730 WeakPolarHBondContact O-CA 3.32Å; C726-G730 PolarHBondContact O-N 3.11Å; C726-N731 WeakPolarHBondContact CA-OD1 3.31Å; C726-N731 VanDerWaalsContact CB-OD1 3.27Å; C726-N731 WeakPolarHBondContact CB-OD1 3.36Å; C726-N731 PolarHBondContact O-N 3.22Å; C726-N731 PolarHBondContact O-OD1 2.57Å; C726-C732 HydrophobicContact CB-CB 3.93Å; C726-C732 WeakPolarHBondContact CB-SG 3.41Å; C726-C732 PolarHBondContact O-SG 3.27Å; C726-C732 VanDerWaalsContact SG-CA 3.52Å; C726-C732 WeakPolarHBondContact SG-CB 3.36Å; C726-C732 CovalentContact SG-SG 2.06Å; C726-C732 PolarHBondContact SG-SG 2.7Å
727	G	87.9	Confident	85.4	Confident	12 Å²	12	70.4 Å²	70.4	12%	0.124	40%	0.395	C	S	.	.	H	α-helix	trans	-76.8	-21.7	-179	0	0	0	0	0	112.9	K723 C724 T725 C732	K723-G727 WeakPolarHBondContact CD-O 3.39Å; C724-G727 WeakPolarHBondContact O-CA 3.38Å; C724-G727 PolarHBondContact O-N 2.99Å; T725-G727 PolarHBondContact O-N 2.98Å; G727-C732 VanDerWaalsContact CA-SG 3.55Å; G727-C732 PolarHBondContact N-SG 2.85Å
728	L	86.9	Confident	85.9	Confident	81 Å²	81	74.8 Å²	74.8	42%	0.424	42%	0.415	S	S	.	.	H	α-helix	trans	-84.3	-39	171.3	-67.1	170.5	0	0	0	111.4	G716 H721 K723 C724 T725 C726	G716-L728 WeakPolarHBondContact O-CD1 3.32Å; H721-L728 HydrophobicContact CB-CD2 4.49Å; K723-L728 HydrophobicContact CB-CD2 4.42Å; K723-L728 HydrophobicContact CB-CG 4.32Å; K723-L728 HydrophobicContact CD-CD2 4.24Å; C724-L728 PolarHBondContact O-N 3.5Å; T725-L728 PolarHBondContact O-N 3Å; T725-L728 VanDerWaalsContact O-N 3.13Å; C726-L728 VanDerWaalsContact C-N 3.32Å
729	E	88.1	Confident	86.4	Confident	132 Å²	132	71.2 Å²	71.2	62%	0.617	40%	0.397	S	S	*	.	H	α-helix	trans	-77.1	-19.6	177.2	-67.1	-177.8	175.2	0	0	113.5	T725 N731	T725-E729 PolarHBondContact O-N 2.93Å; E729-N731 PolarHBondContact OE2-ND2 2.88Å
730	G	87.8	Confident	87	Confident	72 Å²	72	70.1 Å²	70.1	74%	0.742	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	25.3	-179.4	0	0	0	0	0	114.2	C726	C726-G730 WeakPolarHBondContact O-CA 3.32Å; C726-G730 PolarHBondContact O-N 3.11Å
731	N	91.7	Very high	87.9	Confident	94 Å²	94	64.1 Å²	64.1	50%	0.503	35%	0.352	S	S	.	.			trans	-123	21.1	-174.7	64.9	2.7	0	0	0	113.6	C726 E729	C726-N731 WeakPolarHBondContact CA-OD1 3.31Å; C726-N731 VanDerWaalsContact CB-OD1 3.27Å; C726-N731 WeakPolarHBondContact CB-OD1 3.36Å; C726-N731 PolarHBondContact O-N 3.22Å; C726-N731 PolarHBondContact O-OD1 2.57Å; E729-N731 PolarHBondContact OE2-ND2 2.88Å
732	C	90.7	Very high	89.1	Confident	19 Å²	19	61 Å²	61	13%	0.128	34%	0.338	C	S	.	.			trans	-59.3	151.9	174.8	-63	0	0	0	0	111.9	C726 G727 D734	C726-C732 HydrophobicContact CB-CB 3.93Å; C726-C732 WeakPolarHBondContact CB-SG 3.41Å; C726-C732 PolarHBondContact O-SG 3.27Å; C726-C732 VanDerWaalsContact SG-CA 3.52Å; C726-C732 WeakPolarHBondContact SG-CB 3.36Å; C726-C732 CovalentContact SG-SG 2.06Å; C726-C732 PolarHBondContact SG-SG 2.7Å; G727-C732 VanDerWaalsContact CA-SG 3.55Å; G727-C732 PolarHBondContact N-SG 2.85Å; C732-D734 VanDerWaalsContact C-N 3.25Å; C732-D734 PolarHBondContact O-N 2.82Å
733	I	91.9	Very high	90	Very high	110 Å²	110	54.6 Å²	54.6	56%	0.564	31%	0.311	S	S	*	.	S	Bend	trans	-58.5	-39.8	-179.4	-65	166.4	0	0	0	111.4	N740 L745 T749	I733-N740 HydrophobicContact CD1-CB 4.26Å; I733-N740 WeakPolarHBondContact CG1-OD1 3.43Å; I733-N740 PolarHBondContact N-OD1 3.32Å; I733-L745 HydrophobicContact CG2-CD1 4.19Å; I733-T749 HydrophobicContact CD1-CG2 3.58Å
734	D	91	Very high	90.2	Very high	56 Å²	56	53.4 Å²	53.4	30%	0.299	31%	0.308	S	S	.	.	S	Bend	trans	-121.1	115.5	172.1	-173.7	-18.9	0	0	0	109.2	C732 Q736 Y737 A743	C732-D734 VanDerWaalsContact C-N 3.25Å; C732-D734 PolarHBondContact O-N 2.82Å; D734-Q736 PolarHBondContact O-N 2.88Å; D734-Q736 VanDerWaalsContact O-N 3.14Å; D734-Q736 WeakPolarHBondContact OD1-CB 3.34Å; D734-Q736 WeakPolarHBondContact OD1-CG 3.3Å; D734-Q736 PolarHBondContact OD1-N 2.84Å; D734-Y737 HydrophobicContact CB-CD2 3.89Å; D734-Y737 HydrophobicContact CB-CE2 4.49Å; D734-Y737 PolarHBondContact O-N 3.12Å; D734-Y737 VanDerWaalsContact O-N 3.1Å; D734-Y737 WeakPolarHBondContact OD2-CE2 3.15Å; D734-A743 HydrophobicContact CB-CB 4.11Å
735	A	88.2	Confident	90.4	Very high	98 Å²	98	56.5 Å²	56.5	81%	0.81	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-12.5	-177.7	0	0	0	0	0	113.9	Y737	A735-Y737 VanDerWaalsContact C-N 3.26Å
736	Q	89	Confident	90.5	Very high	144 Å²	144	58.8 Å²	58.8	67%	0.673	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-17.3	173.7	-61.7	-175	13.1	0	0	112.9	D734	D734-Q736 PolarHBondContact O-N 2.88Å; D734-Q736 VanDerWaalsContact O-N 3.14Å; D734-Q736 WeakPolarHBondContact OD1-CB 3.34Å; D734-Q736 WeakPolarHBondContact OD1-CG 3.3Å; D734-Q736 PolarHBondContact OD1-N 2.84Å
737	Y	89.5	Confident	90.6	Very high	53 Å²	53	65.3 Å²	65.3	21%	0.208	36%	0.364	C	S	.	.			trans	-114.7	153.6	-177.5	-59.9	-86.2	0	0	0	111.4	D734 A735 D742 A743	D734-Y737 HydrophobicContact CB-CD2 3.89Å; D734-Y737 HydrophobicContact CB-CE2 4.49Å; D734-Y737 PolarHBondContact O-N 3.12Å; D734-Y737 VanDerWaalsContact O-N 3.1Å; D734-Y737 WeakPolarHBondContact OD2-CE2 3.15Å; A735-Y737 VanDerWaalsContact C-N 3.26Å; Y737-D742 HydrophobicContact CD1-CB 3.77Å; Y737-D742 WeakPolarHBondContact CD1-O 3.13Å; Y737-D742 VanDerWaalsContact CE1-O 3.3Å; Y737-D742 WeakPolarHBondContact CE1-O 3.33Å; Y737-D742 HydrophobicContact CG-CB 4.32Å; Y737-A743 HydrophobicContact CD2-CB 3.89Å; Y737-A743 HydrophobicContact CE2-CB 4.21Å; Y737-A743 HydrophobicContact CG-CB 4.39Å
738	H	89.1	Confident	91	Very high	92 Å²	92	70 Å²	70	43%	0.426	38%	0.378	S	S	.	.	S	Bend	trans	-95.3	-2.9	178.7	-64.8	-33.7	0	0	0	113.7	K723 C724	K723-H738 HydrophobicContact CB-CB 4.11Å; K723-H738 HydrophobicContact CD-CB 4.44Å; K723-H738 HydrophobicContact CG-CB 3.86Å; C724-H738 PolarHBondContact N-O 2.81Å
739	C	92	Very high	91.3	Very high	7 Å²	7	66.7 Å²	66.7	5%	0.047	36%	0.362	C	S	.	.	S	Bend	trans	-144.9	143	178.3	-64.5	0	0	0	0	108.5	L691 C724 C741 D742	L691-C739 HydrophobicContact CD1-CB 4.17Å; C724-C739 HydrophobicContact CB-CB 3.8Å; C724-C739 WeakPolarHBondContact CB-SG 3.25Å; C724-C739 PolarHBondContact N-SG 2.95Å; C724-C739 WeakPolarHBondContact SG-CB 3.49Å; C724-C739 CovalentContact SG-SG 2.04Å; C724-C739 PolarHBondContact SG-SG 2.95Å; C739-C741 VanDerWaalsContact C-N 3.27Å; C739-C741 PolarHBondContact O-N 3.42Å; C739-D742 HydrophobicContact CB-CB 4.48Å; C739-D742 WeakPolarHBondContact CB-OD2 3.41Å; C739-D742 PolarHBondContact O-N 2.85Å
740	N	94.1	Very high	91.6	Very high	23 Å²	23	63.5 Å²	63.5	12%	0.123	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-65.5	-31.3	-179	-69.3	-43.3	0	0	0	112.4	I733 D742 A743 T749 N750 D751	I733-N740 HydrophobicContact CD1-CB 4.26Å; I733-N740 WeakPolarHBondContact CG1-OD1 3.43Å; I733-N740 PolarHBondContact N-OD1 3.32Å; N740-D742 VanDerWaalsContact C-N 3.32Å; N740-A743 PolarHBondContact O-N 3.22Å; N740-T749 PolarHBondContact O-OG1 3.26Å; N740-N750 PolarHBondContact ND2-O 3.32Å; N740-D751 PolarHBondContact N-OD1 2.95Å; N740-D751 PolarHBondContact N-OD2 2.9Å
741	C	93.3	Very high	91.8	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.014	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-72	-24.5	179.3	-69.5	0	0	0	0	113.9	Y684 C686 L691 C739 A743 D744 D751	Y684-C741 HydrophobicContact CE1-CB 4.43Å; C686-C741 HydrophobicContact CB-CB 3.74Å; C686-C741 WeakPolarHBondContact CB-SG 3.42Å; C686-C741 WeakPolarHBondContact SG-CA 3.3Å; C686-C741 WeakPolarHBondContact SG-CB 3.29Å; C686-C741 CovalentContact SG-SG 2.01Å; C686-C741 PolarHBondContact SG-SG 3.46Å; L691-C741 HydrophobicContact CD1-CB 4.22Å; L691-C741 HydrophobicContact CG-CB 3.97Å; C739-C741 VanDerWaalsContact C-N 3.27Å; C739-C741 PolarHBondContact O-N 3.42Å; C741-A743 VanDerWaalsContact C-N 3.26Å; C741-A743 PolarHBondContact O-N 3.01Å; C741-D744 PolarHBondContact O-N 3.36Å; C741-D751 VanDerWaalsContact CB-OD2 3.26Å; C741-D751 WeakPolarHBondContact CB-OD2 3.05Å; C741-D751 PolarHBondContact N-OD2 2.65Å; C741-D751 PolarHBondContact SG-OD2 2.85Å
742	D	93.1	Very high	91.8	Very high	21 Å²	21	57.5 Å²	57.5	11%	0.112	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-76.4	-16.8	179.6	-67.5	-29	0	0	0	112.6	L691 V692 Y737 C739 N740 D744	L691-D742 WeakPolarHBondContact CA-OD1 3.46Å; L691-D742 WeakPolarHBondContact CB-OD1 3.47Å; L691-D742 PolarHBondContact N-OD1 2.82Å; V692-D742 PolarHBondContact N-OD1 2.82Å; Y737-D742 HydrophobicContact CD1-CB 3.77Å; Y737-D742 WeakPolarHBondContact CD1-O 3.13Å; Y737-D742 VanDerWaalsContact CE1-O 3.3Å; Y737-D742 WeakPolarHBondContact CE1-O 3.33Å; Y737-D742 HydrophobicContact CG-CB 4.32Å; C739-D742 HydrophobicContact CB-CB 4.48Å; C739-D742 WeakPolarHBondContact CB-OD2 3.41Å; C739-D742 PolarHBondContact O-N 2.85Å; N740-D742 VanDerWaalsContact C-N 3.32Å; D742-D744 PolarHBondContact O-N 2.83Å
743	A	91.7	Very high	91.8	Very high	13 Å²	13	57 Å²	57	11%	0.107	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-67.8	-7.6	172.3	0	0	0	0	0	113.8	D734 Y737 N740 C741 L745	D734-A743 HydrophobicContact CB-CB 4.11Å; Y737-A743 HydrophobicContact CD2-CB 3.89Å; Y737-A743 HydrophobicContact CE2-CB 4.21Å; Y737-A743 HydrophobicContact CG-CB 4.39Å; N740-A743 PolarHBondContact O-N 3.22Å; C741-A743 VanDerWaalsContact C-N 3.26Å; C741-A743 PolarHBondContact O-N 3.01Å; A743-L745 VanDerWaalsContact C-N 3.28Å; A743-L745 HydrophobicContact CB-CG 4.12Å; A743-L745 PolarHBondContact O-N 2.96Å; A743-L745 VanDerWaalsContact O-N 3.16Å
744	D	91	Very high	91.9	Very high	46 Å²	46	55.4 Å²	55.4	25%	0.246	29%	0.288	C	S	.	.			trans	55.2	34.3	171	-159.1	39.4	0	0	0	115.4	K688 R690 C741 D742 R773	K688-D744 WeakPolarHBondContact CA-OD1 3.37Å; R690-D744 HydrophobicContact CG-CB 4.07Å; C741-D744 PolarHBondContact O-N 3.36Å; D742-D744 PolarHBondContact O-N 2.83Å; D744-R773 VanDerWaalsContact CG-NH1 3.3Å; D744-R773 IonicContact OD1-CZ 3.8Å; D744-R773 VanDerWaalsContact OD1-CZ 3.32Å; D744-R773 IonicContact OD1-NH1 3.62Å; D744-R773 PolarHBondContact OD1-NH1 2.92Å; D744-R773 IonicContact OD1-NH2 2.98Å; D744-R773 PolarHBondContact OD1-NH2 2.92Å; D744-R773 IonicContact OD2-CZ 3.16Å; D744-R773 IonicContact OD2-NH1 3.35Å; D744-R773 PolarHBondContact OD2-NH1 2.85Å; D744-R773 IonicContact OD2-NH2 3.62Å
745	L	92.9	Very high	92.1	Very high	64 Å²	64	52.7 Å²	52.7	34%	0.335	27%	0.274	S	S	.	.			trans	-71.6	148.4	-176.1	-59.9	-179.6	0	0	0	112.7	K688 I733 A743 E747 T749	K688-L745 WeakPolarHBondContact CG-O 3.39Å; K688-L745 PolarHBondContact N-O 2.91Å; I733-L745 HydrophobicContact CG2-CD1 4.19Å; A743-L745 VanDerWaalsContact C-N 3.28Å; A743-L745 HydrophobicContact CB-CG 4.12Å; A743-L745 PolarHBondContact O-N 2.96Å; A743-L745 VanDerWaalsContact O-N 3.16Å; L745-E747 PolarHBondContact O-N 3Å; L745-T749 HydrophobicContact CD1-CG2 4.08Å
746	N	91	Very high	92.3	Very high	85 Å²	85	49.9 Å²	49.9	46%	0.455	25%	0.248	S	C	.	.	S	Bend	trans	-81.4	20.7	173.1	-166.7	33.5	0	0	0	113.4	K687 K688	K687-N746 WeakPolarHBondContact CE-O 3.42Å; K687-N746 VanDerWaalsContact CE-OD1 3.31Å; K687-N746 WeakPolarHBondContact CE-OD1 3.42Å; K688-N746 HydrophobicContact CD-CB 3.99Å; K688-N746 HydrophobicContact CG-CB 4.12Å
747	E	92.3	Very high	92.5	Very high	147 Å²	147	47.5 Å²	47.5	69%	0.687	23%	0.233	S	C	*	.	S	Bend	trans	-124.4	158.6	177.3	-65.5	-178.3	-179.8	0	0	108.4	L745 T749	L745-E747 PolarHBondContact O-N 3Å; E747-T749 PolarHBondContact O-N 3.12Å
748	W	94.8	Very high	92.5	Very high	110 Å²	110	47 Å²	47	42%	0.417	23%	0.232	S	C	.	.			trans	-73.5	116.1	177.7	-79.1	107.8	0	0	0	110.1	C686 K687 E777 A779	C686-W748 WeakPolarHBondContact O-CA 3.48Å; K687-W748 HydrophobicContact CB-CD2 4.15Å; K687-W748 HydrophobicContact CB-CE3 4.14Å; K687-W748 HydrophobicContact CB-CZ3 4.43Å; W748-E777 HydrophobicContact CH2-CB 4.07Å; W748-E777 HydrophobicContact CH2-CG 3.65Å; W748-E777 HydrophobicContact CZ2-CB 4.28Å; W748-E777 HydrophobicContact CZ2-CG 3.93Å; W748-A779 HydrophobicContact CH2-CB 4.26Å; W748-A779 HydrophobicContact CZ3-CB 4.37Å
749	T	94.2	Very high	92.6	Very high	13 Å²	13	47 Å²	47	8%	0.08	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	173.6	167.5	59.8	0	0	0	0	109.6	Y685 C686 I733 N740 L745 E747	Y685-T749 WeakPolarHBondContact CA-O 3.37Å; C686-T749 PolarHBondContact N-O 3.43Å; C686-T749 PolarHBondContact O-N 2.87Å; C686-T749 PolarHBondContact SG-OG1 3.36Å; I733-T749 HydrophobicContact CD1-CG2 3.58Å; N740-T749 PolarHBondContact O-OG1 3.26Å; L745-T749 HydrophobicContact CD1-CG2 4.08Å; E747-T749 PolarHBondContact O-N 3.12Å
750	N	93.5	Very high	92.7	Very high	64 Å²	64	47.7 Å²	47.7	34%	0.342	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	154.9	179.9	79.2	88.9	0	0	0	112.2	Y684 Y685 N740 T752	Y684-N750 CarbonylContact O-C 3.6Å; Y684-N750 WeakPolarHBondContact O-CA 3.4Å; Y684-N750 VanDerWaalsContact O-CB 3.25Å; Y684-N750 WeakPolarHBondContact O-CB 3.22Å; Y685-N750 HydrophobicContact CD1-CB 3.44Å; Y685-N750 VanDerWaalsContact CD1-CB 3.44Å; Y685-N750 HydrophobicContact CE1-CB 3.65Å; Y685-N750 HydrophobicContact CG-CB 4.18Å; N740-N750 PolarHBondContact ND2-O 3.32Å; N750-T752 WeakPolarHBondContact OD1-CB 3.2Å; N750-T752 PolarHBondContact OD1-N 2.91Å; N750-T752 PolarHBondContact OD1-OG1 2.81Å; N750-T752 VanDerWaalsContact OD1-OG1 3.08Å
751	D	92.2	Very high	92.8	Very high	6 Å²	6	46.6 Å²	46.6	3%	0.032	23%	0.229	C	C	.	.			trans	-127.1	47.3	173.4	-75.7	-62.8	0	0	0	109.7	Y684 L691 C724 N740 C741	Y684-D751 PolarHBondContact O-N 3.04Å; L691-D751 HydrophobicContact CD1-CB 4.36Å; C724-D751 HydrophobicContact CB-CB 4.22Å; C724-D751 WeakPolarHBondContact CB-OD1 3.26Å; N740-D751 PolarHBondContact N-OD1 2.95Å; N740-D751 PolarHBondContact N-OD2 2.9Å; C741-D751 VanDerWaalsContact CB-OD2 3.26Å; C741-D751 WeakPolarHBondContact CB-OD2 3.05Å; C741-D751 PolarHBondContact N-OD2 2.65Å; C741-D751 PolarHBondContact SG-OD2 2.85Å
752	T	92.2	Very high	92.9	Very high	35 Å²	35	46.5 Å²	46.5	22%	0.215	23%	0.229	C	C	.	.			trans	-65.2	136.2	179	-56.6	0	0	0	0	110.9	L682 V683 N750	L682-T752 WeakPolarHBondContact O-CA 3.44Å; V683-T752 HydrophobicContact CB-CG2 4.21Å; V683-T752 HydrophobicContact CG1-CG2 4.36Å; V683-T752 HydrophobicContact CG2-CG2 3.85Å; N750-T752 WeakPolarHBondContact OD1-CB 3.2Å; N750-T752 PolarHBondContact OD1-N 2.91Å; N750-T752 PolarHBondContact OD1-OG1 2.81Å; N750-T752 VanDerWaalsContact OD1-OG1 3.08Å
753	G	91.8	Very high	93.1	Very high	8 Å²	8	45.5 Å²	45.5	8%	0.082	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.1	-179.2	172.7	0	0	0	0	0	113.8	L682	L682-G753 PolarHBondContact N-O 3.26Å; L682-G753 PolarHBondContact O-N 3.02Å; L682-G753 VanDerWaalsContact O-N 3.11Å
754	F	93.5	Very high	93.3	Very high	76 Å²	76	46.2 Å²	46.2	33%	0.333	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	130.7	179.5	-73.1	-89.6	0	0	0	111.8	Q679 Q680 E681 G716	Q679-F754 HydrophobicContact CB-CD1 4.17Å; Q679-F754 HydrophobicContact CG-CD1 4.03Å; Q679-F754 HydrophobicContact CG-CE1 4.46Å; Q680-F754 WeakPolarHBondContact O-CA 3.42Å; E681-F754 HydrophobicContact CB-CD1 4.03Å; E681-F754 HydrophobicContact CB-CE1 3.65Å; E681-F754 HydrophobicContact CB-CZ 4.01Å; E681-F754 HydrophobicContact CG-CE1 4.3Å; E681-F754 HydrophobicContact CG-CE2 4.48Å; E681-F754 HydrophobicContact CG-CZ 4.18Å; G716-F754 PolarHBondContact N-O 2.93Å
755	L	94.2	Very high	93.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	121.8	160.6	-60.2	174.8	0	0	0	107.3	Q679 Q680 L682 W703 Y713 L761 V763	Q679-L755 CarbonylContact C-O 3.6Å; Q679-L755 WeakPolarHBondContact CA-O 3.34Å; Q680-L755 PolarHBondContact N-O 3.29Å; Q680-L755 PolarHBondContact O-N 2.84Å; L682-L755 HydrophobicContact CB-CD1 4.36Å; L682-L755 HydrophobicContact CB-CG 4.48Å; L682-L755 HydrophobicContact CD2-CD1 4.11Å; W703-L755 HydrophobicContact CD2-CD1 4.13Å; W703-L755 HydrophobicContact CH2-CD1 4.19Å; W703-L755 HydrophobicContact CZ2-CD1 3.76Å; W703-L755 HydrophobicContact CZ2-CD2 3.91Å; W703-L755 HydrophobicContact CZ2-CG 4.36Å; Y713-L755 HydrophobicContact CD2-CD2 4.21Å; Y713-L755 HydrophobicContact CE2-CD2 3.84Å; L755-L761 HydrophobicContact CB-CD2 3.94Å; L755-L761 WeakPolarHBondContact O-CD1 3.36Å; L755-V763 HydrophobicContact CD1-CG2 3.46Å; L755-V763 VanDerWaalsContact CD1-CG2 3.46Å
756	S	92.4	Very high	93.6	Very high	39 Å²	39	44.8 Å²	44.8	27%	0.273	22%	0.215	S	C	.	.			trans	-129.8	3.2	-173.1	59.4	0	0	0	0	114.2	C678 K758	C678-S756 WeakPolarHBondContact O-CA 3.48Å; S756-K758 PolarHBondContact O-N 3.38Å; S756-K758 VanDerWaalsContact O-N 3.11Å
757	Y	93	Very high	93.8	Very high	94 Å²	94	41.4 Å²	41.4	37%	0.369	20%	0.197	S	C	.	.			trans	-79.8	96	174.8	-166.8	-110	0	0	0	110.2	L718 P719 E759 H760	L718-Y757 HydrophobicContact CD2-CD2 4.34Å; P719-Y757 HydrophobicContact CG-CD1 3.67Å; P719-Y757 HydrophobicContact CG-CD2 4.42Å; P719-Y757 HydrophobicContact CG-CE1 4.01Å; P719-Y757 HydrophobicContact CG-CG 3.88Å; Y757-E759 HydrophobicContact CD1-CB 4.17Å; Y757-E759 HydrophobicContact CE1-CB 3.7Å; Y757-E759 HydrophobicContact CE1-CG 4.24Å; Y757-E759 PolarHBondContact O-N 3.06Å; Y757-E759 VanDerWaalsContact O-N 3.1Å; Y757-H760 HydrophobicContact CD1-CB 4.36Å; Y757-H760 AromaticContact CD1-CD2 3.91Å; Y757-H760 AromaticContact CD1-CE1 3.71Å; Y757-H760 AromaticContact CD1-CG 3.69Å; Y757-H760 AromaticContact CD1-ND1 3.55Å; Y757-H760 AromaticContact CD1-NE2 3.9Å; Y757-H760 AromaticContact CE1-CD2 3.95Å; Y757-H760 AromaticContact CE1-CE1 3.83Å; Y757-H760 AromaticContact CE1-NE2 3.68Å; Y757-H760 PolarHBondContact O-N 3.49Å; Y757-H760 VanDerWaalsContact O-N 3.1Å
758	K	91.2	Very high	94	Very high	42 Å²	42	34.4 Å²	34.4	18%	0.183	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.5	-39	-173.1	-174.3	-175	171.8	179.5	0	114.2	I672 N673 A675 C678 S756 H760 L761	I672-K758 VanDerWaalsContact C-CE 3.49Å; I672-K758 HydrophobicContact CG2-CD 4.28Å; I672-K758 HydrophobicContact CG2-CG 3.6Å; I672-K758 WeakPolarHBondContact O-CE 3.27Å; I672-K758 PolarHBondContact O-NZ 3.26Å; N673-K758 PolarHBondContact O-NZ 3.43Å; A675-K758 PolarHBondContact O-NZ 3.47Å; C678-K758 HydrophobicContact CB-CG 4.43Å; S756-K758 PolarHBondContact O-N 3.38Å; S756-K758 VanDerWaalsContact O-N 3.11Å; K758-H760 PolarHBondContact O-N 3.34Å; K758-L761 PolarHBondContact O-N 2.97Å
759	E	91.1	Very high	93.9	Very high	91 Å²	91	29.5 Å²	29.5	43%	0.425	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-23.5	-175	-60.1	-53.5	139.7	0	0	114.2	R706 Y757	R706-E759 WeakPolarHBondContact CG-O 3.31Å; R706-E759 IonicContact CZ-OE2 3.02Å; R706-E759 PolarHBondContact NE-O 3.01Å; R706-E759 IonicContact NH2-OE1 3.86Å; R706-E759 IonicContact NH2-OE2 3.91Å; R706-E759 PolarHBondContact NH2-OE2 3.49Å; Y757-E759 HydrophobicContact CD1-CB 4.17Å; Y757-E759 HydrophobicContact CE1-CB 3.7Å; Y757-E759 HydrophobicContact CE1-CG 4.24Å; Y757-E759 PolarHBondContact O-N 3.06Å; Y757-E759 VanDerWaalsContact O-N 3.1Å
760	H	93.5	Very high	93.9	Very high	23 Å²	23	29.5 Å²	29.5	11%	0.106	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-20.8	177.8	-61.8	167.2	0	0	0	113.3	W703 G705 R706 Q711 Y713 P719 Y757 K758	W703-H760 HydrophobicContact CH2-CB 3.65Å; W703-H760 HydrophobicContact CZ3-CB 4.15Å; G705-H760 CarbonylContact C-O 3.54Å; G705-H760 WeakPolarHBondContact CA-O 3.34Å; R706-H760 PolarHBondContact N-O 2.87Å; Q711-H760 PolarHBondContact NE2-CE1 3.08Å; Q711-H760 PolarHBondContact OE1-CE1 3.43Å; Q711-H760 PolarHBondContact OE1-ND1 2.84Å; Y713-H760 AromaticContact CE1-ND1 3.57Å; Y713-H760 AromaticContact CZ-ND1 3.76Å; Y713-H760 PolarHBondContact OH-ND1 3.49Å; P719-H760 VanDerWaalsContact CG-CE1 3.5Å; P719-H760 WeakPolarHBondContact CG-CE1 3.41Å; Y757-H760 HydrophobicContact CD1-CB 4.36Å; Y757-H760 AromaticContact CD1-CD2 3.91Å; Y757-H760 AromaticContact CD1-CE1 3.71Å; Y757-H760 AromaticContact CD1-CG 3.69Å; Y757-H760 AromaticContact CD1-ND1 3.55Å; Y757-H760 AromaticContact CD1-NE2 3.9Å; Y757-H760 AromaticContact CE1-CD2 3.95Å; Y757-H760 AromaticContact CE1-CE1 3.83Å; Y757-H760 AromaticContact CE1-NE2 3.68Å; Y757-H760 PolarHBondContact O-N 3.49Å; Y757-H760 VanDerWaalsContact O-N 3.1Å; K758-H760 PolarHBondContact O-N 3.34Å
761	L	95.4	Very high	93.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-75.5	152.2	-178.8	-68.9	175.8	0	0	0	112	C678 Q680 R706 L755 K758 V763 L785	C678-L761 HydrophobicContact CB-CD1 4.33Å; Q680-L761 HydrophobicContact CB-CD2 4.01Å; R706-L761 WeakPolarHBondContact CD-O 3.38Å; R706-L761 WeakPolarHBondContact CG-O 3.49Å; L755-L761 HydrophobicContact CB-CD2 3.94Å; L755-L761 WeakPolarHBondContact O-CD1 3.36Å; K758-L761 PolarHBondContact O-N 2.97Å; L761-V763 HydrophobicContact CD2-CG2 4.29Å; L761-L785 HydrophobicContact CB-CD1 4.08Å; L761-L785 HydrophobicContact CD1-CD1 4.02Å
762	P	96.5	Very high	93.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	S	Bend	cis	-80.9	162.8	1.8	9	6.9	0	0	0	113.4	Y661 M665 L668 I672 G705 R706 T764 L785	Y661-P762 HydrophobicContact CE1-CB 4.11Å; Y661-P762 HydrophobicContact CE2-CB 3.67Å; Y661-P762 HydrophobicContact CE2-CG 4.12Å; Y661-P762 WeakPolarHBondContact OH-CB 3.34Å; M665-P762 HydrophobicContact CE-CG 4.36Å; L668-P762 HydrophobicContact CD1-CG 4.03Å; I672-P762 HydrophobicContact CD1-CG 4.05Å; G705-P762 CarbonylContact C-O 3.48Å; G705-P762 WeakPolarHBondContact CA-O 3.27Å; R706-P762 PolarHBondContact N-O 2.77Å; P762-T764 PolarHBondContact O-N 3.48Å; P762-L785 HydrophobicContact CB-CD2 4.01Å; P762-L785 HydrophobicContact CG-CD2 4Å
763	V	95.9	Very high	93.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-71.3	120.9	167.8	-178.9	0	0	0	0	109.5	F659 Y661 Q680 W703 L755 L761 L782	F659-V763 HydrophobicContact CD2-CG1 4.18Å; F659-V763 HydrophobicContact CE2-CG1 4.18Å; Y661-V763 PolarHBondContact OH-O 3.2Å; Q680-V763 VanDerWaalsContact OE1-N 3.09Å; W703-V763 HydrophobicContact CB-CG1 4.2Å; W703-V763 HydrophobicContact CD2-CG2 4.21Å; W703-V763 HydrophobicContact CE3-CB 4.34Å; W703-V763 HydrophobicContact CE3-CG1 4.24Å; W703-V763 HydrophobicContact CE3-CG2 3.71Å; W703-V763 HydrophobicContact CZ3-CG2 3.96Å; L755-V763 HydrophobicContact CD1-CG2 3.46Å; L755-V763 VanDerWaalsContact CD1-CG2 3.46Å; L761-V763 HydrophobicContact CD2-CG2 4.29Å; V763-L782 HydrophobicContact CB-CD1 4.01Å; V763-L782 HydrophobicContact CB-CD2 3.84Å; V763-L782 HydrophobicContact CG1-CD1 4.38Å; V763-L782 HydrophobicContact CG1-CD2 4.08Å; V763-L782 HydrophobicContact CG2-CD1 4.05Å
764	T	95.9	Very high	93.5	Very high	27 Å²	27	34.4 Å²	34.4	17%	0.166	18%	0.179	C	C	.	.			trans	-104.5	-26.9	178.4	58	0	0	0	0	112	F659 V704 G705 P762	F659-T764 PolarHBondContact N-O 2.84Å; V704-T764 PolarHBondContact O-N 3.17Å; V704-T764 PolarHBondContact O-OG1 3.3Å; G705-T764 PolarHBondContact O-OG1 3.15Å; P762-T764 PolarHBondContact O-N 3.48Å
765	K	95.7	Very high	93.3	Very high	81 Å²	81	37.2 Å²	37.2	35%	0.352	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	152.3	177.1	-50.7	176.3	-178.1	168.2	0	112.5	G657 V658 W703 V704	G657-K765 CarbonylContact O-C 3.57Å; G657-K765 WeakPolarHBondContact O-CA 3.15Å; V658-K765 HydrophobicContact CG2-CG 4.38Å; W703-K765 CarbonylContact C-O 3.49Å; W703-K765 VanDerWaalsContact CA-O 3.27Å; W703-K765 WeakPolarHBondContact CA-O 3.48Å; W703-K765 WeakPolarHBondContact CB-O 3.43Å; V704-K765 HydrophobicContact CB-CB 4.07Å; V704-K765 HydrophobicContact CG2-CB 4.41Å; V704-K765 PolarHBondContact N-O 3.17Å; V704-K765 PolarHBondContact O-N 2.88Å
766	I	95.3	Very high	93.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	136.9	167.5	-173.5	160.6	0	0	0	109.6	T656 G657 F659 L682 W714 I768 Y780	T656-I766 CarbonylContact C-O 3.6Å; T656-I766 WeakPolarHBondContact CA-O 3.46Å; G657-I766 PolarHBondContact N-O 2.94Å; G657-I766 PolarHBondContact O-N 3.17Å; F659-I766 HydrophobicContact CE2-CB 4.23Å; F659-I766 HydrophobicContact CE2-CG2 3.78Å; F659-I766 HydrophobicContact CZ-CG2 3.98Å; L682-I766 HydrophobicContact CD1-CD1 4.1Å; W714-I766 HydrophobicContact CH2-CD1 4Å; W714-I766 HydrophobicContact CH2-CG1 4.49Å; W714-I766 HydrophobicContact CZ3-CD1 4.08Å; I766-I768 HydrophobicContact CG1-CG1 4.39Å; I766-Y780 HydrophobicContact CD1-CD2 4.38Å; I766-Y780 HydrophobicContact CD1-CG 4.16Å; I766-Y780 HydrophobicContact CG2-CD1 4.44Å; I766-Y780 HydrophobicContact CG2-CD2 4.01Å; I766-Y780 HydrophobicContact CG2-CE1 4.01Å; I766-Y780 HydrophobicContact CG2-CE2 3.6Å; I766-Y780 HydrophobicContact CG2-CG 4.42Å
767	V	95.7	Very high	93.4	Very high	13 Å²	13	36.5 Å²	36.5	8%	0.079	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.7	-178	-173.8	0	0	0	0	109.9	A654 H655 T656 S701 W702 T769	A654-V767 HydrophobicContact CB-CG1 3.9Å; H655-V767 VanDerWaalsContact O-CA 3.31Å; H655-V767 WeakPolarHBondContact O-CA 3.27Å; T656-V767 HydrophobicContact CG2-CG2 4.3Å; S701-V767 CarbonylContact C-O 3.6Å; S701-V767 WeakPolarHBondContact CA-O 3.49Å; S701-V767 WeakPolarHBondContact CB-O 3.38Å; W702-V767 HydrophobicContact CD2-CB 3.94Å; W702-V767 HydrophobicContact CD2-CG1 4.31Å; W702-V767 HydrophobicContact CG-CB 4.32Å; W702-V767 HydrophobicContact CH2-CB 4.41Å; W702-V767 HydrophobicContact CH2-CG1 3.72Å; W702-V767 HydrophobicContact CZ2-CB 3.82Å; W702-V767 HydrophobicContact CZ2-CG1 3.43Å; W702-V767 VanDerWaalsContact CZ2-CG1 3.43Å; W702-V767 HydrophobicContact CZ2-CG2 4.22Å; W702-V767 HydrophobicContact CZ3-CG1 4.28Å; W702-V767 PolarHBondContact N-O 2.84Å; W702-V767 PolarHBondContact O-N 3.17Å; V767-T769 HydrophobicContact CG1-CG2 4.31Å
768	I	95.4	Very high	93.6	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	122.9	-176.9	-60.7	170.3	0	0	0	109.8	V646 T649 H655 Y684 I766 T771 A778 Y780	V646-I768 HydrophobicContact CG1-CB 4.44Å; V646-I768 HydrophobicContact CG1-CG2 4.2Å; V646-I768 HydrophobicContact CG2-CD1 4.11Å; T649-I768 WeakPolarHBondContact CB-O 3.32Å; T649-I768 PolarHBondContact OG1-O 3.41Å; T649-I768 VanDerWaalsContact OG1-O 3.08Å; H655-I768 PolarHBondContact N-O 3.41Å; H655-I768 PolarHBondContact O-N 3.11Å; Y684-I768 HydrophobicContact CE2-CD1 3.76Å; Y684-I768 HydrophobicContact CE2-CG1 4.18Å; I766-I768 HydrophobicContact CG1-CG1 4.39Å; I768-T771 HydrophobicContact CG2-CG2 3.87Å; I768-A778 HydrophobicContact CD1-CB 4.45Å; I768-A778 HydrophobicContact CG2-CB 4.21Å; I768-Y780 HydrophobicContact CD1-CD1 3.44Å; I768-Y780 VanDerWaalsContact CD1-CD1 3.44Å; I768-Y780 HydrophobicContact CD1-CE1 3.88Å; I768-Y780 HydrophobicContact CD1-CG 4.39Å
769	T	93.7	Very high	93.8	Very high	8 Å²	8	30.1 Å²	30.1	5%	0.049	16%	0.161	C	C	.	.			trans	-119.4	-16.3	-175.3	70.1	0	0	0	0	115.2	T649 H650 A654 R700 W702 V767 T771	T649-T769 CarbonylContact C-O 3.18Å; T649-T769 PolarHBondContact OG1-O 2.94Å; H650-T769 WeakPolarHBondContact CA-O 3.16Å; H650-T769 PolarHBondContact N-O 2.94Å; A654-T769 HydrophobicContact CB-CG2 3.7Å; R700-T769 WeakPolarHBondContact O-CB 3.46Å; R700-T769 PolarHBondContact O-N 3.28Å; R700-T769 PolarHBondContact O-OG1 3.05Å; W702-T769 HydrophobicContact CH2-CG2 3.98Å; W702-T769 HydrophobicContact CZ3-CG2 3.95Å; V767-T769 HydrophobicContact CG1-CG2 4.31Å; T769-T771 PolarHBondContact O-N 3.39Å
770	D	92.9	Very high	94	Very high	13 Å²	13	26.4 Å²	26.4	7%	0.07	14%	0.143	C	C	.	.			trans	-99.9	47.5	-172	-167.9	33.2	0	0	0	113.4	S689 R690 R700 R773 S776	S689-D770 WeakPolarHBondContact CA-O 3.5Å; S689-D770 WeakPolarHBondContact CB-O 3.3Å; S689-D770 PolarHBondContact OG-O 3.34Å; R690-D770 WeakPolarHBondContact CB-OD2 3.39Å; R690-D770 IonicContact CZ-OD2 3.55Å; R690-D770 PolarHBondContact N-OD2 2.81Å; R690-D770 IonicContact NE-OD2 3.03Å; R690-D770 PolarHBondContact NE-OD2 2.92Å; R690-D770 IonicContact NH2-OD1 2.99Å; R690-D770 IonicContact NH2-OD2 3.02Å; R690-D770 PolarHBondContact NH2-OD2 2.83Å; R700-D770 HydrophobicContact CB-CB 3.88Å; R700-D770 HydrophobicContact CG-CB 4.14Å; D770-R773 IonicContact OD1-CZ 3.78Å; D770-R773 IonicContact OD1-NE 2.65Å; D770-R773 PolarHBondContact OD1-NE 2.83Å; D770-R773 IonicContact OD1-NH2 2.74Å; D770-R773 PolarHBondContact OD1-NH2 3.26Å; D770-R773 IonicContact OD2-CZ 2.81Å; D770-R773 IonicContact OD2-NE 3.05Å; D770-R773 IonicContact OD2-NH2 3.31Å; D770-R773 PolarHBondContact OD2-NH2 3.47Å; D770-S776 PolarHBondContact O-OG 3.08Å
771	T	93.3	Very high	94.1	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.018	16%	0.155	C	C	.	.			trans	-116.5	9.7	176.1	72.1	0	0	0	0	115	V646 R647 N648 T649 I768 T769 S776 A778	V646-T771 HydrophobicContact CG1-CG2 4.2Å; R647-T771 WeakPolarHBondContact CA-OG1 3.32Å; N648-T771 WeakPolarHBondContact CA-O 3.36Å; N648-T771 PolarHBondContact N-O 2.84Å; N648-T771 PolarHBondContact N-OG1 3.04Å; T649-T771 WeakPolarHBondContact CB-OG1 3.41Å; T649-T771 WeakPolarHBondContact CG2-OG1 3.39Å; T649-T771 PolarHBondContact N-OG1 2.59Å; T649-T771 CarbonylContact O-C 3.59Å; T649-T771 PolarHBondContact OG1-N 2.78Å; T649-T771 PolarHBondContact OG1-OG1 3.44Å; I768-T771 HydrophobicContact CG2-CG2 3.87Å; T769-T771 PolarHBondContact O-N 3.39Å; T771-S776 WeakPolarHBondContact CA-OG 3.35Å; T771-A778 HydrophobicContact CG2-CB 3.82Å
772	G	89	Confident	94.1	Very high	38 Å²	38	29.3 Å²	29.3	39%	0.392	16%	0.155	S	C	.	.			trans	-85.8	-6.8	-179.1	0	0	0	0	0	114.8	T649	T649-G772 WeakPolarHBondContact O-CA 3.34Å; T649-G772 PolarHBondContact O-N 3.19Å
773	R	90.6	Very high	94.1	Very high	70 Å²	70	29.7 Å²	29.7	26%	0.264	16%	0.159	S	C	.	.	S	Bend	trans	-81.3	153.3	-179.7	-62.3	-175.9	-73.4	132.7	-4.3	110.9	K688 D744 D770 H775 S776	K688-R773 VanDerWaalsContact O-CZ 3.28Å; K688-R773 PolarHBondContact O-NH2 3.48Å; D744-R773 VanDerWaalsContact CG-NH1 3.3Å; D744-R773 IonicContact OD1-CZ 3.8Å; D744-R773 VanDerWaalsContact OD1-CZ 3.32Å; D744-R773 IonicContact OD1-NH1 3.62Å; D744-R773 PolarHBondContact OD1-NH1 2.92Å; D744-R773 IonicContact OD1-NH2 2.98Å; D744-R773 PolarHBondContact OD1-NH2 2.92Å; D744-R773 IonicContact OD2-CZ 3.16Å; D744-R773 IonicContact OD2-NH1 3.35Å; D744-R773 PolarHBondContact OD2-NH1 2.85Å; D744-R773 IonicContact OD2-NH2 3.62Å; D770-R773 IonicContact OD1-CZ 3.78Å; D770-R773 IonicContact OD1-NE 2.65Å; D770-R773 PolarHBondContact OD1-NE 2.83Å; D770-R773 IonicContact OD1-NH2 2.74Å; D770-R773 PolarHBondContact OD1-NH2 3.26Å; D770-R773 IonicContact OD2-CZ 2.81Å; D770-R773 IonicContact OD2-NE 3.05Å; D770-R773 IonicContact OD2-NH2 3.31Å; D770-R773 PolarHBondContact OD2-NH2 3.47Å; R773-H775 PolarHBondContact O-N 3.04Å; R773-S776 WeakPolarHBondContact O-CB 3.46Å; R773-S776 PolarHBondContact O-N 3.16Å
774	P	89.4	Confident	94.1	Very high	104 Å²	104	31.3 Å²	31.3	68%	0.675	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	129.2	176.3	-26.1	34.5	0	0	0	112.4	S776	P774-S776 PolarHBondContact O-N 2.99Å
775	H	88.4	Confident	94.2	Very high	135 Å²	135	30 Å²	30	63%	0.625	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.6	10.3	-174.5	-49.1	-68.5	0	0	0	115.9	K688 R773	K688-H775 HydrophobicContact CD-CB 4.28Å; R773-H775 PolarHBondContact O-N 3.04Å
776	S	94.4	Very high	94.2	Very high	8 Å²	8	28 Å²	28	6%	0.056	16%	0.155	C	C	.	.			trans	-81.7	130.5	177.7	-173	0	0	0	0	111.7	K687 K688 D770 T771 R773 P774	K687-S776 CarbonylContact O-C 3.45Å; K687-S776 VanDerWaalsContact O-CA 3.26Å; K687-S776 WeakPolarHBondContact O-CA 3.31Å; K688-S776 VanDerWaalsContact O-CB 3.26Å; K688-S776 WeakPolarHBondContact O-CB 3.35Å; K688-S776 PolarHBondContact O-OG 3.05Å; D770-S776 PolarHBondContact O-OG 3.08Å; T771-S776 WeakPolarHBondContact CA-OG 3.35Å; R773-S776 WeakPolarHBondContact O-CB 3.46Å; R773-S776 PolarHBondContact O-N 3.16Å; P774-S776 PolarHBondContact O-N 2.99Å
777	E	95.6	Very high	94.3	Very high	16 Å²	16	28 Å²	28	8%	0.075	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	148.2	-178.9	-170.6	172.8	-169.7	0	0	109.8	R645 R647 K687 W748	R645-E777 IonicContact NH1-OE1 3.78Å; R647-E777 HydrophobicContact CG-CB 4.33Å; R647-E777 HydrophobicContact CG-CG 3.74Å; R647-E777 IonicContact CZ-OE1 3.28Å; R647-E777 VanDerWaalsContact CZ-OE1 3.24Å; R647-E777 IonicContact CZ-OE2 2.87Å; R647-E777 IonicContact NE-OE1 3.78Å; R647-E777 PolarHBondContact NE-OE1 3.23Å; R647-E777 IonicContact NE-OE2 3.47Å; R647-E777 PolarHBondContact NE-OE2 2.84Å; R647-E777 IonicContact NH2-OE1 3.94Å; R647-E777 PolarHBondContact NH2-OE1 2.96Å; R647-E777 IonicContact NH2-OE2 3.79Å; R647-E777 PolarHBondContact NH2-OE2 2.8Å; K687-E777 HydrophobicContact CB-CB 4.49Å; K687-E777 PolarHBondContact N-O 2.91Å; K687-E777 PolarHBondContact O-N 2.94Å; K687-E777 VanDerWaalsContact O-O 3.13Å; W748-E777 HydrophobicContact CH2-CB 4.07Å; W748-E777 HydrophobicContact CH2-CG 3.65Å; W748-E777 HydrophobicContact CZ2-CB 4.28Å; W748-E777 HydrophobicContact CZ2-CG 3.93Å
778	A	95.8	Very high	94.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	155.7	168.9	0	0	0	0	0	110.1	V646 Y684 Y685 I768 T771	V646-A778 PolarHBondContact N-O 2.89Å; V646-A778 PolarHBondContact O-N 2.8Å; Y684-A778 HydrophobicContact CE2-CB 4.45Å; Y685-A778 CarbonylContact O-C 3.52Å; Y685-A778 VanDerWaalsContact O-CA 3.31Å; Y685-A778 WeakPolarHBondContact O-CA 3.41Å; I768-A778 HydrophobicContact CD1-CB 4.45Å; I768-A778 HydrophobicContact CG2-CB 4.21Å; T771-A778 HydrophobicContact CG2-CB 3.82Å
779	A	96.5	Very high	93.9	Very high	3 Å²	3	32.5 Å²	32.5	3%	0.025	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	137	167.9	0	0	0	0	0	110	L643 M644 R645 Y685 W748	L643-A779 HydrophobicContact CD1-CB 4.25Å; L643-A779 HydrophobicContact CD2-CB 4.46Å; L643-A779 HydrophobicContact CG-CB 4.26Å; M644-A779 CarbonylContact O-C 3.43Å; M644-A779 WeakPolarHBondContact O-CA 3.03Å; R645-A779 HydrophobicContact CG-CB 3.99Å; Y685-A779 PolarHBondContact N-O 3.38Å; Y685-A779 PolarHBondContact O-N 2.91Å; W748-A779 HydrophobicContact CH2-CB 4.26Å; W748-A779 HydrophobicContact CZ3-CB 4.37Å
780	Y	95.4	Very high	93.8	Very high	12 Å²	12	32.1 Å²	32.1	5%	0.047	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	155.2	179.7	70.1	-94.1	0	0	0	111.9	L643 M644 V646 H655 G657 F659 V683 I766 I768	L643-Y780 CarbonylContact C-O 3.32Å; L643-Y780 WeakPolarHBondContact CA-O 3.38Å; M644-Y780 HydrophobicContact CB-CD1 4.33Å; M644-Y780 HydrophobicContact CB-CD2 4.47Å; M644-Y780 HydrophobicContact CB-CE1 3.92Å; M644-Y780 HydrophobicContact CB-CE2 3.99Å; M644-Y780 HydrophobicContact CG-CE1 3.96Å; M644-Y780 PolarHBondContact N-O 3.17Å; M644-Y780 PolarHBondContact O-N 2.75Å; V646-Y780 HydrophobicContact CG2-CD1 4.09Å; V646-Y780 HydrophobicContact CG2-CE1 3.79Å; H655-Y780 AromaticContact CD2-CE1 3.77Å; H655-Y780 AromaticContact NE2-CE1 3.61Å; H655-Y780 AromaticContact NE2-CZ 3.84Å; H655-Y780 PolarHBondContact NE2-OH 3.44Å; H655-Y780 VanDerWaalsContact NE2-OH 3.15Å; G657-Y780 VanDerWaalsContact CA-OH 3.26Å; G657-Y780 WeakPolarHBondContact CA-OH 3.43Å; F659-Y780 HydrophobicContact CE1-CE2 4.25Å; F659-Y780 HydrophobicContact CZ-CD2 4.18Å; F659-Y780 AromaticContact CZ-CE2 3.67Å; F659-Y780 HydrophobicContact CZ-CE2 3.67Å; V683-Y780 CarbonylContact O-C 3.53Å; V683-Y780 WeakPolarHBondContact O-CA 3.21Å; I766-Y780 HydrophobicContact CD1-CD2 4.38Å; I766-Y780 HydrophobicContact CD1-CG 4.16Å; I766-Y780 HydrophobicContact CG2-CD1 4.44Å; I766-Y780 HydrophobicContact CG2-CD2 4.01Å; I766-Y780 HydrophobicContact CG2-CE1 4.01Å; I766-Y780 HydrophobicContact CG2-CE2 3.6Å; I766-Y780 HydrophobicContact CG2-CG 4.42Å; I768-Y780 HydrophobicContact CD1-CD1 3.44Å; I768-Y780 VanDerWaalsContact CD1-CD1 3.44Å; I768-Y780 HydrophobicContact CD1-CE1 3.88Å; I768-Y780 HydrophobicContact CD1-CG 4.39Å
781	K	95.3	Very high	93.7	Very high	85 Å²	85	37.7 Å²	37.7	37%	0.37	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	134.2	170	163.7	173.2	172.6	164.9	0	108.6	S641 L643 V683	S641-K781 VanDerWaalsContact O-CD 3.24Å; S641-K781 WeakPolarHBondContact O-CD 3.13Å; S641-K781 WeakPolarHBondContact O-CE 3.34Å; S641-K781 WeakPolarHBondContact O-CG 3.21Å; S641-K781 PolarHBondContact O-NZ 3.33Å; L643-K781 HydrophobicContact CB-CB 4.47Å; L643-K781 HydrophobicContact CD1-CB 3.85Å; V683-K781 HydrophobicContact CB-CB 4.05Å; V683-K781 WeakPolarHBondContact CB-O 3.22Å; V683-K781 HydrophobicContact CG2-CB 4.47Å; V683-K781 PolarHBondContact N-O 2.83Å; V683-K781 PolarHBondContact O-N 3.31Å
782	L	95.9	Very high	93.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	128.6	174.1	-173.7	69.6	0	0	0	108.9	H638 F659 Q680 L682 V763	H638-L782 PolarHBondContact CE1-O 3.47Å; H638-L782 PolarHBondContact NE2-O 3.08Å; F659-L782 HydrophobicContact CB-CD2 4.18Å; F659-L782 HydrophobicContact CD1-CB 4.29Å; F659-L782 HydrophobicContact CD1-CD2 3.77Å; F659-L782 HydrophobicContact CD2-CD2 3.46Å; F659-L782 VanDerWaalsContact CD2-CD2 3.46Å; F659-L782 HydrophobicContact CE1-CB 3.67Å; F659-L782 HydrophobicContact CE1-CD2 3.89Å; F659-L782 HydrophobicContact CE1-CG 4.45Å; F659-L782 HydrophobicContact CE2-CB 4.26Å; F659-L782 HydrophobicContact CE2-CD2 3.6Å; F659-L782 HydrophobicContact CG-CD2 3.53Å; F659-L782 HydrophobicContact CZ-CB 3.64Å; F659-L782 HydrophobicContact CZ-CD2 3.79Å; F659-L782 HydrophobicContact CZ-CG 4.34Å; Q680-L782 HydrophobicContact CG-CD1 3.8Å; Q680-L782 HydrophobicContact CG-CG 4.29Å; L682-L782 HydrophobicContact CB-CD1 4.48Å; L682-L782 HydrophobicContact CD1-CD1 4.09Å; V763-L782 HydrophobicContact CB-CD1 4.01Å; V763-L782 HydrophobicContact CB-CD2 3.84Å; V763-L782 HydrophobicContact CG1-CD1 4.38Å; V763-L782 HydrophobicContact CG1-CD2 4.08Å; V763-L782 HydrophobicContact CG2-CD1 4.05Å
783	G	95.2	Very high	93.7	Very high	7 Å²	7	37.8 Å²	37.8	7%	0.072	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	169.1	171.3	0	0	0	0	0	112.1	H638 Q680 E681	H638-G783 PolarHBondContact NE2-O 2.78Å; Q680-G783 VanDerWaalsContact CG-O 3.23Å; Q680-G783 WeakPolarHBondContact CG-O 3.47Å; Q680-G783 PolarHBondContact NE2-O 3.12Å; E681-G783 PolarHBondContact O-N 3.3Å
784	P	96.5	Very high	93.6	Very high	35 Å²	35	35.1 Å²	35.1	23%	0.227	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	157.1	175.5	28.9	-35.9	0	0	0	111.5	V635 M636 L786	V635-P784 HydrophobicContact CG1-CB 3.83Å; V635-P784 HydrophobicContact CG1-CG 3.96Å; M636-P784 WeakPolarHBondContact O-CA 3.2Å; M636-P784 WeakPolarHBondContact O-CB 3.49Å; P784-L786 HydrophobicContact CG-CD2 4.08Å; P784-L786 PolarHBondContact O-N 2.87Å
785	L	97.2	Very high	93.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	123.3	169.2	176.2	69.2	0	0	0	108.9	M636 Y661 I672 C678 Q680 L761 P762	M636-L785 HydrophobicContact CB-CB 4.21Å; M636-L785 HydrophobicContact CE-CB 4.49Å; M636-L785 HydrophobicContact CE-CD2 3.5Å; M636-L785 HydrophobicContact CE-CG 3.86Å; M636-L785 PolarHBondContact N-O 2.94Å; M636-L785 PolarHBondContact O-N 3.18Å; M636-L785 HydrophobicContact SD-CD2 4.15Å; Y661-L785 HydrophobicContact CE1-CB 4.12Å; I672-L785 HydrophobicContact CD1-CD2 3.67Å; I672-L785 HydrophobicContact CG1-CD2 3.77Å; C678-L785 HydrophobicContact CB-CD1 4.29Å; Q680-L785 HydrophobicContact CB-CD1 4.4Å; L761-L785 HydrophobicContact CB-CD1 4.08Å; L761-L785 HydrophobicContact CD1-CD1 4.02Å; P762-L785 HydrophobicContact CB-CD2 4.01Å; P762-L785 HydrophobicContact CG-CD2 4Å
786	L	97	Very high	94.2	Very high	39 Å²	39	24 Å²	24	20%	0.204	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	111.2	-177.9	-59.7	178.4	0	0	0	109.7	W633 V635 C678 Q679 P784	W633-L786 HydrophobicContact CE3-CB 3.72Å; W633-L786 HydrophobicContact CZ3-CB 3.81Å; V635-L786 HydrophobicContact CB-CD2 4.2Å; V635-L786 HydrophobicContact CG1-CD2 3.9Å; V635-L786 HydrophobicContact CG2-CD2 3.78Å; C678-L786 CarbonylContact C-O 3.56Å; C678-L786 VanDerWaalsContact CA-O 3.3Å; C678-L786 WeakPolarHBondContact CA-O 3.32Å; Q679-L786 HydrophobicContact CG-CB 4.16Å; Q679-L786 PolarHBondContact N-O 2.91Å; Q679-L786 PolarHBondContact O-N 2.91Å; P784-L786 HydrophobicContact CG-CD2 4.08Å; P784-L786 PolarHBondContact O-N 2.87Å
787	C	97.3	Very high	94.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	146.8	176.7	-68.9	0	0	0	0	111.1	W633 T634 M636 A675 H677 C678	W633-C787 CarbonylContact C-O 3.54Å; W633-C787 WeakPolarHBondContact CA-O 3.32Å; T634-C787 PolarHBondContact N-O 2.87Å; T634-C787 PolarHBondContact O-N 3.16Å; M636-C787 HydrophobicContact CE-CB 4.02Å; M636-C787 VanDerWaalsContact CE-SG 3.52Å; A675-C787 HydrophobicContact CB-CB 3.72Å; H677-C787 CarbonylContact O-C 3.56Å; H677-C787 WeakPolarHBondContact O-CA 3.17Å; C678-C787 HydrophobicContact CB-CB 4.19Å; C678-C787 WeakPolarHBondContact CB-SG 3.42Å; C678-C787 WeakPolarHBondContact SG-CB 3.19Å; C678-C787 CovalentContact SG-SG 2.05Å; C678-C787 PolarHBondContact SG-SG 3.26Å
788	R	94.2	Very high	94.2	Very high	91 Å²	91	23.7 Å²	23.7	34%	0.343	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	159.6	177.3	65.5	173.4	178.7	92.9	0.6	112.4	A632 W633 E676 H677	A632-R788 WeakPolarHBondContact O-CA 3.38Å; A632-R788 WeakPolarHBondContact O-CB 3.39Å; W633-R788 HydrophobicContact CD2-CB 4.1Å; W633-R788 HydrophobicContact CE3-CB 3.85Å; W633-R788 HydrophobicContact CE3-CG 4.21Å; W633-R788 HydrophobicContact CH2-CG 4.03Å; W633-R788 HydrophobicContact CZ2-CG 4.46Å; W633-R788 HydrophobicContact CZ3-CB 4.08Å; W633-R788 HydrophobicContact CZ3-CG 3.9Å; E676-R788 PolarHBondContact N-O 2.9Å; H677-R788 HydrophobicContact CB-CG 4.21Å; H677-R788 PolarHBondContact N-O 3.47Å; H677-R788 VanDerWaalsContact N-O 3.17Å; H677-R788 PolarHBondContact O-N 3.44Å
789	G	89.3	Confident	94.2	Very high	16 Å²	16	23.8 Å²	23.8	17%	0.165	11%	0.114	C	C	.	.			trans	79.9	168.2	-175.8	0	0	0	0	0	112	A675	A675-G789 WeakPolarHBondContact CA-O 3.18Å
790	D	91.6	Very high	93.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.135	C	C	.	.			trans	-149.6	91.6	-179.3	-174.7	-23.5	0	0	0	108	S595 E597 R674 P792 F793 W794	S595-D790 WeakPolarHBondContact CB-OD2 3.3Å; S595-D790 PolarHBondContact OG-OD2 3.13Å; E597-D790 HydrophobicContact CB-CB 3.8Å; E597-D790 HydrophobicContact CG-CB 4.23Å; R674-D790 IonicContact CZ-OD1 2.62Å; R674-D790 VanDerWaalsContact CZ-OD1 3.25Å; R674-D790 IonicContact CZ-OD2 3.49Å; R674-D790 VanDerWaalsContact CZ-OD2 3.28Å; R674-D790 IonicContact NE-OD1 3.65Å; R674-D790 PolarHBondContact NE-OD1 2.87Å; R674-D790 IonicContact NE-OD2 3.03Å; R674-D790 PolarHBondContact NE-OD2 2.86Å; R674-D790 IonicContact NH2-OD1 3.19Å; R674-D790 PolarHBondContact NH2-OD1 2.99Å; R674-D790 VanDerWaalsContact NH2-OD1 3.09Å; R674-D790 IonicContact NH2-OD2 3.72Å; R674-D790 PolarHBondContact NH2-OD2 2.92Å; D790-P792 WeakPolarHBondContact OD1-CD 3.41Å; D790-F793 HydrophobicContact CB-CB 3.82Å; D790-F793 PolarHBondContact O-N 2.94Å; D790-F793 WeakPolarHBondContact OD1-CB 3.26Å; D790-F793 PolarHBondContact OD1-N 2.88Å; D790-F793 WeakPolarHBondContact OD2-CB 3.46Å; D790-W794 VanDerWaalsContact O-CD1 3.27Å; D790-W794 PolarHBondContact O-N 3.28Å
791	R	89.4	Confident	93.6	Very high	129 Å²	129	30.2 Å²	30.2	49%	0.487	15%	0.152	S	C	.	.	H	α-helix	trans	-61.4	-48.6	-175.3	175	-178.5	175.6	-175.5	-0.4	111.1	R674 E676 F793 W794 N795 D945	R674-R791 PolarHBondContact O-N 3.09Å; E676-R791 HydrophobicContact CG-CB 4.28Å; R791-F793 VanDerWaalsContact C-N 3.3Å; R791-F793 PolarHBondContact O-N 2.89Å; R791-W794 PolarHBondContact O-N 3.13Å; R791-N795 WeakPolarHBondContact O-CB 3.32Å; R791-N795 PolarHBondContact O-N 3.07Å; R791-D945 IonicContact CZ-OD2 3.44Å; R791-D945 IonicContact NE-OD2 3.63Å; R791-D945 IonicContact NH2-OD2 2.61Å; R791-D945 PolarHBondContact NH2-OD2 3.46Å
792	P	91.8	Very high	93.2	Very high	24 Å²	24	32.2 Å²	32.2	16%	0.156	16%	0.162	C	C	.	.	H	α-helix	trans	-55.3	-39.2	175.3	-31.3	39.6	0	0	0	114.8	R674 D790 W794 S936 A943	R674-P792 HydrophobicContact CG-CG 3.97Å; R674-P792 WeakPolarHBondContact O-CD 3.45Å; D790-P792 WeakPolarHBondContact OD1-CD 3.41Å; P792-W794 VanDerWaalsContact C-N 3.35Å; P792-W794 PolarHBondContact O-N 3.18Å; P792-S936 WeakPolarHBondContact O-CA 3.27Å; P792-S936 WeakPolarHBondContact O-CB 3.46Å; P792-A943 HydrophobicContact CB-CB 3.72Å; P792-A943 HydrophobicContact CG-CB 4.2Å
793	F	90.3	Very high	92.9	Very high	19 Å²	19	34.6 Å²	34.6	8%	0.083	18%	0.182	C	C	.	.	H	α-helix	trans	-67.1	-34.1	-178.6	-175.6	-93.6	0	0	0	113.2	A598 H601 D790 R791 R935	A598-F793 HydrophobicContact CB-CE2 4.5Å; H601-F793 HydrophobicContact CB-CZ 4.21Å; D790-F793 HydrophobicContact CB-CB 3.82Å; D790-F793 PolarHBondContact O-N 2.94Å; D790-F793 WeakPolarHBondContact OD1-CB 3.26Å; D790-F793 PolarHBondContact OD1-N 2.88Å; D790-F793 WeakPolarHBondContact OD2-CB 3.46Å; R791-F793 VanDerWaalsContact C-N 3.3Å; R791-F793 PolarHBondContact O-N 2.89Å; F793-R935 WeakPolarHBondContact O-CD 3.26Å; F793-R935 WeakPolarHBondContact O-CG 3.48Å
794	W	90.2	Very high	92.6	Very high	14 Å²	14	34.6 Å²	34.6	5%	0.053	18%	0.181	C	C	.	.	H	α-helix	trans	-95.3	-18	-179.8	-64.5	114.3	0	0	0	114.8	H601 D790 R791 P792 A796 H963 G983	H601-W794 AromaticContact CE1-CZ2 3.45Å; H601-W794 VanDerWaalsContact CE1-CZ2 3.45Å; H601-W794 WeakPolarHBondContact CE1-CZ2 3.46Å; H601-W794 AromaticContact NE2-CH2 3.65Å; H601-W794 AromaticContact NE2-CZ2 3.39Å; H601-W794 WeakPolarHBondContact NE2-CZ2 3.49Å; D790-W794 VanDerWaalsContact O-CD1 3.27Å; D790-W794 PolarHBondContact O-N 3.28Å; R791-W794 PolarHBondContact O-N 3.13Å; P792-W794 VanDerWaalsContact C-N 3.35Å; P792-W794 PolarHBondContact O-N 3.18Å; W794-A796 PolarHBondContact O-N 2.83Å; W794-A796 VanDerWaalsContact O-N 3.11Å; W794-H963 AromaticContact CE3-CE1 3.9Å; W794-H963 AromaticContact CZ3-CE1 3.84Å; W794-H963 AromaticContact CZ3-ND1 3.74Å; W794-G983 VanDerWaalsContact CH2-CA 3.45Å
795	N	93.4	Very high	92.4	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.027	18%	0.179	C	C	.	.			trans	-53.2	112.2	179.4	166.4	43.4	0	0	0	111.9	R791 R935 S936 L944 L946 E947	R791-N795 WeakPolarHBondContact O-CB 3.32Å; R791-N795 PolarHBondContact O-N 3.07Å; N795-R935 CarbonylContact O-C 3.59Å; N795-R935 WeakPolarHBondContact O-CA 3.2Å; N795-R935 WeakPolarHBondContact O-CG 3.2Å; N795-S936 PolarHBondContact O-N 3.34Å; N795-L944 PolarHBondContact ND2-O 2.99Å; N795-L946 PolarHBondContact ND2-N 2.79Å; N795-L946 WeakPolarHBondContact OD1-CB 3.41Å; N795-L946 PolarHBondContact OD1-N 2.84Å; N795-E947 PolarHBondContact OD1-N 2.82Å
796	A	95.2	Very high	92.4	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.008	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	156.9	-171.6	0	0	0	0	0	113.4	W794 I934 R935 E947 G959 C960	W794-A796 PolarHBondContact O-N 2.83Å; W794-A796 VanDerWaalsContact O-N 3.11Å; A796-I934 CarbonylContact C-O 3.46Å; A796-I934 VanDerWaalsContact CA-O 3.29Å; A796-I934 WeakPolarHBondContact CA-O 3.33Å; A796-R935 HydrophobicContact CB-CB 3.79Å; A796-R935 HydrophobicContact CB-CG 3.87Å; A796-E947 PolarHBondContact N-OE1 3.4Å; A796-E947 WeakPolarHBondContact O-CG 3.36Å; A796-G959 WeakPolarHBondContact O-CA 3.33Å; A796-G959 PolarHBondContact O-N 2.86Å; A796-C960 HydrophobicContact CB-CB 4.06Å
797	A	95.7	Very high	92.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	144.3	169.2	0	0	0	0	0	111.2	F799 L806 C933 I934 L946 A950 V956 Q957	A797-F799 HydrophobicContact CB-CE2 4.15Å; A797-F799 HydrophobicContact CB-CZ 4.37Å; A797-L806 HydrophobicContact CB-CD1 3.91Å; A797-C933 WeakPolarHBondContact O-CA 3.48Å; A797-I934 PolarHBondContact N-O 2.94Å; A797-I934 PolarHBondContact O-N 3.48Å; A797-L946 HydrophobicContact CB-CB 3.94Å; A797-A950 HydrophobicContact CB-CB 4.12Å; A797-V956 HydrophobicContact CB-CG1 3.85Å; A797-Q957 WeakPolarHBondContact CA-O 3.31Å
798	S	95.2	Very high	92.1	Very high	17 Å²	17	36.8 Å²	36.8	12%	0.119	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	119.6	176.3	-61.6	0	0	0	0	110.7	C933 V956 Q957 G959	S798-C933 PolarHBondContact OG-SG 2.82Å; S798-V956 WeakPolarHBondContact O-CA 3.4Å; S798-V956 WeakPolarHBondContact O-CG1 3.33Å; S798-Q957 PolarHBondContact N-O 3.03Å; S798-Q957 PolarHBondContact O-N 3.33Å; S798-G959 PolarHBondContact OG-O 2.79Å
799	F	95.3	Very high	92.1	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.009	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	112.2	179.2	-60.6	-93.7	0	0	0	109.7	A797 L806 V920 F930 G932 I934 V956	A797-F799 HydrophobicContact CB-CE2 4.15Å; A797-F799 HydrophobicContact CB-CZ 4.37Å; F799-L806 HydrophobicContact CE1-CD1 4.37Å; F799-L806 HydrophobicContact CE1-CG 3.98Å; F799-L806 HydrophobicContact CZ-CD1 3.94Å; F799-L806 HydrophobicContact CZ-CG 4.04Å; F799-V920 WeakPolarHBondContact CE1-O 3.4Å; F799-V920 HydrophobicContact CZ-CG1 4.2Å; F799-F930 HydrophobicContact CB-CD1 4.49Å; F799-F930 WeakPolarHBondContact CB-O 3.46Å; F799-F930 AromaticContact CD2-CD1 3.96Å; F799-F930 HydrophobicContact CD2-CD1 3.96Å; F799-F930 HydrophobicContact CD2-CE1 4.35Å; F799-F930 HydrophobicContact CG-CD1 4.39Å; F799-G932 PolarHBondContact N-O 2.85Å; F799-G932 PolarHBondContact O-N 2.87Å; F799-G932 VanDerWaalsContact O-N 3.07Å; F799-I934 HydrophobicContact CD2-CD1 4.5Å; F799-I934 HydrophobicContact CD2-CG1 4.4Å; F799-I934 HydrophobicContact CE2-CB 4.07Å; F799-I934 HydrophobicContact CE2-CD1 3.82Å; F799-I934 HydrophobicContact CE2-CG1 3.9Å; F799-I934 HydrophobicContact CZ-CD1 4.32Å; F799-V956 HydrophobicContact CD1-CG1 4.25Å; F799-V956 HydrophobicContact CD1-CG2 3.93Å; F799-V956 HydrophobicContact CE1-CG1 4.19Å; F799-V956 HydrophobicContact CE1-CG2 4.07Å; F799-V956 HydrophobicContact CZ-CG1 4.49Å
800	N	91	Very high	92.3	Very high	85 Å²	85	38.1 Å²	38.1	46%	0.455	20%	0.202	S	C	.	.			trans	-101.2	-9.4	-169.5	-65.5	-30.1	0	0	0	113.5	G955 Q957	N800-G955 PolarHBondContact N-O 2.82Å; N800-Q957 VanDerWaalsContact ND2-CD 3.28Å; N800-Q957 PolarHBondContact ND2-OE1 2.93Å; N800-Q957 VanDerWaalsContact ND2-OE1 3.13Å
801	T	89.2	Confident	92.3	Very high	66 Å²	66	38.7 Å²	38.7	41%	0.405	20%	0.204	S	C	.	.	S	Bend	trans	-139.5	147.2	-179	68.1	0	0	0	0	111.1	A803 S804 L931	T801-A803 PolarHBondContact O-N 2.93Å; T801-S804 PolarHBondContact N-OG 3.26Å; T801-S804 PolarHBondContact O-N 3.01Å; T801-S804 PolarHBondContact O-OG 2.7Å; T801-S804 VanDerWaalsContact OG1-CB 3.27Å; T801-S804 WeakPolarHBondContact OG1-CB 3.31Å; T801-S804 PolarHBondContact OG1-N 2.67Å; T801-S804 PolarHBondContact OG1-OG 3.06Å; T801-L931 VanDerWaalsContact CA-CD2 3.43Å
802	E	86.1	Confident	92.2	Very high	126 Å²	126	38.6 Å²	38.6	59%	0.589	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-9.9	-179.7	-61.2	-176.8	168.1	0	0	113.5	G929 L931	E802-G929 WeakPolarHBondContact O-CA 3.35Å; E802-G929 PolarHBondContact O-N 2.66Å; E802-L931 HydrophobicContact CG-CD1 3.61Å; E802-L931 HydrophobicContact CG-CD2 4.14Å; E802-L931 HydrophobicContact CG-CG 3.79Å
803	A	89	Confident	91.8	Very high	51 Å²	51	37.6 Å²	37.6	42%	0.421	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-4.7	175.9	0	0	0	0	0	113.3	T801	T801-A803 PolarHBondContact O-N 2.93Å
804	S	89.5	Confident	91.7	Very high	7 Å²	7	40.4 Å²	40.4	5%	0.049	22%	0.216	C	C	.	.			trans	-83.3	140.4	179.7	60	0	0	0	0	111.5	T801	T801-S804 PolarHBondContact N-OG 3.26Å; T801-S804 PolarHBondContact O-N 3.01Å; T801-S804 PolarHBondContact O-OG 2.7Å; T801-S804 VanDerWaalsContact OG1-CB 3.27Å; T801-S804 WeakPolarHBondContact OG1-CB 3.31Å; T801-S804 PolarHBondContact OG1-N 2.67Å; T801-S804 PolarHBondContact OG1-OG 3.06Å
805	Y	93.6	Very high	91.5	Very high	48 Å²	48	43.7 Å²	43.7	19%	0.188	24%	0.235	C	C	.	.			trans	-157	157.6	176.7	62.3	-87.2	0	0	0	109.6	F919 V920 R926 T953	Y805-F919 AromaticContact CD2-CD1 3.61Å; Y805-F919 HydrophobicContact CD2-CD1 3.61Å; Y805-F919 HydrophobicContact CD2-CE1 4.16Å; Y805-F919 AromaticContact CE2-CD1 3.68Å; Y805-F919 HydrophobicContact CE2-CD1 3.68Å; Y805-F919 AromaticContact CE2-CE1 3.72Å; Y805-F919 HydrophobicContact CE2-CE1 3.72Å; Y805-F919 HydrophobicContact CG-CD1 4.35Å; Y805-V920 CarbonylContact C-O 3.57Å; Y805-V920 VanDerWaalsContact CA-O 3.32Å; Y805-V920 WeakPolarHBondContact CA-O 3.5Å; Y805-R926 HydrophobicContact CD1-CG 4.49Å; Y805-R926 HydrophobicContact CE1-CG 3.94Å; Y805-R926 PolarHBondContact OH-NH2 2.86Å; Y805-T953 WeakPolarHBondContact O-CG2 3.38Å
806	L	95.5	Very high	91.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	150.2	167.7	-57	173.2	0	0	0	108.9	A797 F799 F808 V920 L946 R949 A950 T953 V956	A797-L806 HydrophobicContact CB-CD1 3.91Å; F799-L806 HydrophobicContact CE1-CD1 4.37Å; F799-L806 HydrophobicContact CE1-CG 3.98Å; F799-L806 HydrophobicContact CZ-CD1 3.94Å; F799-L806 HydrophobicContact CZ-CG 4.04Å; L806-F808 HydrophobicContact CB-CE2 3.91Å; L806-F808 HydrophobicContact CD1-CE2 4.47Å; L806-V920 HydrophobicContact CB-CB 4.33Å; L806-V920 PolarHBondContact N-O 3.31Å; L806-V920 PolarHBondContact O-N 3.31Å; L806-L946 HydrophobicContact CD1-CB 4.47Å; L806-L946 HydrophobicContact CD1-CD2 4.02Å; L806-R949 HydrophobicContact CB-CG 4.06Å; L806-R949 HydrophobicContact CD2-CB 4.36Å; L806-R949 HydrophobicContact CD2-CG 3.8Å; L806-R949 HydrophobicContact CG-CG 4.34Å; L806-A950 HydrophobicContact CD2-CB 4.34Å; L806-T953 HydrophobicContact CD2-CG2 3.99Å; L806-V956 HydrophobicContact CD1-CG1 4.44Å; L806-V956 HydrophobicContact CD2-CB 4.08Å; L806-V956 HydrophobicContact CD2-CG1 3.98Å; L806-V956 HydrophobicContact CD2-CG2 4Å; L806-V956 HydrophobicContact CG-CG1 4.31Å; L806-V956 HydrophobicContact CG-CG2 4.46Å
807	H	93	Very high	91.2	Very high	58 Å²	58	44.2 Å²	44.2	27%	0.269	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142.6	172.3	65.6	-91.4	0	0	0	111.3	L918 R949	H807-L918 CarbonylContact C-O 3.54Å; H807-L918 WeakPolarHBondContact CA-O 3.17Å; H807-R949 PolarHBondContact O-NE 2.85Å
808	F	95.5	Very high	91	Very high	14 Å²	14	45.1 Å²	45.1	6%	0.061	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	166.2	176	-68.3	-88.3	0	0	0	109.8	L806 Q917 L918 V920 L944 L946 R949	L806-F808 HydrophobicContact CB-CE2 3.91Å; L806-F808 HydrophobicContact CD1-CE2 4.47Å; F808-Q917 WeakPolarHBondContact O-CA 3.43Å; F808-Q917 WeakPolarHBondContact O-CB 3.25Å; F808-L918 HydrophobicContact CB-CB 4.15Å; F808-L918 HydrophobicContact CB-CD2 4.18Å; F808-L918 PolarHBondContact N-O 3.46Å; F808-L918 PolarHBondContact O-N 2.91Å; F808-V920 HydrophobicContact CD2-CG2 3.88Å; F808-V920 HydrophobicContact CE2-CB 4.43Å; F808-V920 HydrophobicContact CE2-CG2 4.06Å; F808-L944 HydrophobicContact CB-CD1 4.26Å; F808-L944 HydrophobicContact CD1-CB 4.3Å; F808-L944 HydrophobicContact CD1-CD1 4.06Å; F808-L944 HydrophobicContact CD1-CD2 4.11Å; F808-L944 HydrophobicContact CD1-CG 4.4Å; F808-L944 HydrophobicContact CD2-CD1 3.93Å; F808-L944 HydrophobicContact CE1-CB 3.96Å; F808-L944 HydrophobicContact CE1-CD1 4.41Å; F808-L944 HydrophobicContact CE2-CD1 4.28Å; F808-L944 HydrophobicContact CG-CD1 3.82Å; F808-L944 HydrophobicContact CZ-CB 4.14Å; F808-L946 HydrophobicContact CE2-CD2 4.04Å; F808-L946 HydrophobicContact CZ-CD2 3.97Å; F808-R949 HydrophobicContact CE1-CB 4.26Å; F808-R949 HydrophobicContact CE1-CG 4.49Å; F808-R949 HydrophobicContact CZ-CB 3.94Å; F808-R949 HydrophobicContact CZ-CG 4.12Å
809	P	94.5	Very high	91.1	Very high	97 Å²	97	44.3 Å²	44.3	63%	0.63	24%	0.238	S	C	*	.	S	Bend	trans	-51.8	159.2	167	-25.4	36.1	0	0	0	111.9	F811 L918	P809-F811 PolarHBondContact O-N 3.28Å; P809-L918 WeakPolarHBondContact O-CB 3.5Å
810	T	93.2	Very high	91.1	Very high	37 Å²	37	45 Å²	45	23%	0.227	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-54.5	136.8	177.9	-54.1	0	0	0	0	111.1	H812 L914 S916	T810-H812 PolarHBondContact O-CD2 2.96Å; T810-H812 PolarHBondContact O-N 2.87Å; T810-L914 HydrophobicContact CG2-CB 3.73Å; T810-S916 WeakPolarHBondContact CA-O 3.39Å; T810-S916 WeakPolarHBondContact CB-O 3.48Å; T810-S916 WeakPolarHBondContact CG2-O 3.26Å; T810-S916 PolarHBondContact OG1-O 3.47Å
811	F	92.2	Very high	91.4	Very high	12 Å²	12	41 Å²	41	5%	0.053	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-74.1	123.8	176.2	177.3	-146.9	0	0	0	110.8	P809 A817 V819 N835 I842 L914 L918 L939 N940	P809-F811 PolarHBondContact O-N 3.28Å; F811-A817 HydrophobicContact CE1-CB 3.74Å; F811-A817 HydrophobicContact CZ-CB 3.89Å; F811-V819 HydrophobicContact CE1-CG2 4.05Å; F811-V819 HydrophobicContact CZ-CG2 4.34Å; F811-N835 PolarHBondContact N-OD1 3.09Å; F811-I842 HydrophobicContact CD1-CD1 4.49Å; F811-I842 HydrophobicContact CE1-CD1 4.18Å; F811-L914 HydrophobicContact CB-CD1 4.26Å; F811-L914 HydrophobicContact CD1-CD1 4.41Å; F811-L918 HydrophobicContact CB-CD1 4.43Å; F811-L939 HydrophobicContact CB-CD1 4.5Å; F811-L939 HydrophobicContact CD2-CB 3.96Å; F811-L939 HydrophobicContact CD2-CD1 4Å; F811-L939 HydrophobicContact CD2-CG 4.46Å; F811-L939 HydrophobicContact CE2-CB 3.69Å; F811-L939 HydrophobicContact CE2-CG 4.49Å; F811-L939 HydrophobicContact CG-CD1 4.26Å; F811-L939 HydrophobicContact CZ-CB 4.3Å; F811-N940 HydrophobicContact CE2-CB 4.4Å; F811-N940 WeakPolarHBondContact CE2-ND2 3.22Å
812	H	86.9	Confident	91.7	Very high	128 Å²	128	39.3 Å²	39.3	59%	0.593	21%	0.208	S	C	*	.			trans	-95.2	97.2	175.2	-67.7	-69.5	0	0	0	110	T810 E814 N940	T810-H812 PolarHBondContact O-CD2 2.96Å; T810-H812 PolarHBondContact O-N 2.87Å; H812-E814 IonicContact CG-OE1 3.32Å; H812-E814 IonicContact ND1-OE1 3.55Å; H812-E814 PolarHBondContact ND1-OE1 2.81Å; H812-E814 VanDerWaalsContact ND1-OE1 3.15Å; H812-N940 PolarHBondContact O-ND2 2.84Å
813	G	84	Confident	92.2	Very high	2 Å²	2	33.3 Å²	33.3	2%	0.021	18%	0.18	C	C	.	.			trans	-141.3	41.1	-179.4	0	0	0	0	0	112.3	L815 S816	G813-L815 PolarHBondContact O-N 2.04Å; G813-S816 CarbonylContact C-O 3.54Å; G813-S816 WeakPolarHBondContact CA-O 3.31Å
814	E	87	Confident	92.5	Very high	78 Å²	78	31.7 Å²	31.7	36%	0.364	16%	0.163	S	C	.	.	S	Bend	trans	-57.8	-47.2	-167.8	-66.8	79.9	175.9	0	0	112	H812 R885 L911 L912	H812-E814 IonicContact CG-OE1 3.32Å; H812-E814 IonicContact ND1-OE1 3.55Å; H812-E814 PolarHBondContact ND1-OE1 2.81Å; H812-E814 VanDerWaalsContact ND1-OE1 3.15Å; E814-R885 PolarHBondContact O-NH1 3.39Å; E814-L911 HydrophobicContact CB-CD2 3.85Å; E814-L911 CarbonylContact O-C 3.49Å; E814-L911 WeakPolarHBondContact O-CA 3.49Å; E814-L912 PolarHBondContact O-N 3.5Å
815	L	86.8	Confident	92.8	Very high	84 Å²	84	31.5 Å²	31.5	44%	0.44	16%	0.162	S	C	.	.	S	Bend	trans	-102.4	-31.9	178.3	-63.3	177.4	0	0	0	113.6	G813 M887 V910 L911	G813-L815 PolarHBondContact O-N 2.04Å; L815-M887 HydrophobicContact CB-CG 4.5Å; L815-M887 HydrophobicContact CB-SD 4.48Å; L815-M887 HydrophobicContact CD2-CG 4.41Å; L815-M887 HydrophobicContact CD2-SD 3.88Å; L815-V910 HydrophobicContact CD2-CG2 4.35Å; L815-L911 HydrophobicContact CD2-CD2 3.51Å; L815-L911 HydrophobicContact CD2-CG 4.31Å; L815-L911 HydrophobicContact CG-CD2 4.05Å
816	S	89.1	Confident	92.8	Very high	16 Å²	16	34 Å²	34	11%	0.112	18%	0.182	C	C	.	.			trans	-139.7	134.7	176.5	-167.3	0	0	0	0	110	G813 R885 N940	G813-S816 CarbonylContact C-O 3.54Å; G813-S816 WeakPolarHBondContact CA-O 3.31Å; S816-R885 CarbonylContact C-O 3.59Å; S816-R885 VanDerWaalsContact CA-O 3.26Å; S816-R885 WeakPolarHBondContact CA-O 3.47Å; S816-N940 PolarHBondContact O-ND2 3.46Å
817	A	92.3	Very high	92.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	98.7	-177.2	0	0	0	0	0	109.5	F811 E884 R885 L912 N940	F811-A817 HydrophobicContact CE1-CB 3.74Å; F811-A817 HydrophobicContact CZ-CB 3.89Å; A817-E884 CarbonylContact O-C 3.53Å; A817-E884 WeakPolarHBondContact O-CA 3.46Å; A817-R885 HydrophobicContact CB-CB 4.42Å; A817-R885 PolarHBondContact N-O 2.86Å; A817-R885 PolarHBondContact O-N 3.34Å; A817-L912 HydrophobicContact CB-CD2 4.33Å; A817-N940 WeakPolarHBondContact CA-OD1 3.46Å
818	D	93	Very high	93	Very high	20 Å²	20	37.7 Å²	37.7	11%	0.107	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	133.6	170.2	162.8	-70.2	0	0	0	109.9	H588 V883 L939 N940	H588-D818 WeakPolarHBondContact NE2-CB 3.43Å; D818-V883 CarbonylContact C-O 3.49Å; D818-V883 WeakPolarHBondContact CA-O 3.44Å; D818-L939 WeakPolarHBondContact O-CA 3.48Å; D818-N940 PolarHBondContact N-OD1 3.34Å; D818-N940 PolarHBondContact O-N 3.24Å
819	V	95.8	Very high	93	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	126.3	172.4	-176.4	0	0	0	0	109.1	F811 F821 L833 I844 V883 L937 Q938 L939	F811-V819 HydrophobicContact CE1-CG2 4.05Å; F811-V819 HydrophobicContact CZ-CG2 4.34Å; V819-F821 HydrophobicContact CG1-CD1 4.06Å; V819-F821 HydrophobicContact CG1-CE1 4.26Å; V819-L833 HydrophobicContact CG1-CD1 4.37Å; V819-I844 HydrophobicContact CB-CD1 3.94Å; V819-I844 HydrophobicContact CG1-CD1 3.7Å; V819-I844 HydrophobicContact CG2-CD1 4.36Å; V819-V883 HydrophobicContact CB-CB 4.36Å; V819-V883 PolarHBondContact N-O 2.93Å; V819-V883 PolarHBondContact O-N 3.28Å; V819-L937 HydrophobicContact CG1-CD1 4.07Å; V819-Q938 WeakPolarHBondContact CA-O 3.27Å; V819-L939 HydrophobicContact CB-CD2 4.07Å; V819-L939 HydrophobicContact CG1-CD2 3.7Å; V819-L939 HydrophobicContact CG2-CD2 3.59Å
820	S	95.3	Very high	93.1	Very high	15 Å²	15	35.2 Å²	35.2	11%	0.105	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	139.6	173.7	64.9	0	0	0	0	112.4	V881 S936 L937 Q938	S820-V881 VanDerWaalsContact CA-O 3.31Å; S820-V881 WeakPolarHBondContact CA-O 3.32Å; S820-S936 VanDerWaalsContact O-O 3.13Å; S820-L937 CarbonylContact O-C 3.16Å; S820-L937 WeakPolarHBondContact O-CA 3.05Å; S820-Q938 PolarHBondContact N-O 3.43Å; S820-Q938 PolarHBondContact O-N 3.04Å
821	F	97.2	Very high	93.3	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.009	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	163.7	176.6	61	-85.2	0	0	0	112	V819 F823 F832 I844 H880 V881 I934 L937	V819-F821 HydrophobicContact CG1-CD1 4.06Å; V819-F821 HydrophobicContact CG1-CE1 4.26Å; F821-F823 HydrophobicContact CD2-CB 4.32Å; F821-F823 HydrophobicContact CE2-CB 4.16Å; F821-F823 HydrophobicContact CE2-CD1 4.19Å; F821-F832 HydrophobicContact CE1-CB 4.45Å; F821-F832 HydrophobicContact CE2-CB 3.92Å; F821-F832 AromaticContact CE2-CD1 3.84Å; F821-F832 HydrophobicContact CE2-CD1 3.84Å; F821-F832 HydrophobicContact CE2-CD2 4.09Å; F821-F832 HydrophobicContact CE2-CE1 4.3Å; F821-F832 AromaticContact CE2-CG 3.7Å; F821-F832 HydrophobicContact CE2-CG 3.7Å; F821-F832 HydrophobicContact CZ-CB 3.59Å; F821-F832 HydrophobicContact CZ-CD1 4.25Å; F821-F832 AromaticContact CZ-CD2 3.75Å; F821-F832 HydrophobicContact CZ-CD2 3.75Å; F821-F832 HydrophobicContact CZ-CE2 4.43Å; F821-F832 AromaticContact CZ-CG 3.63Å; F821-F832 HydrophobicContact CZ-CG 3.63Å; F821-I844 HydrophobicContact CE1-CD1 4.09Å; F821-I844 HydrophobicContact CE1-CG2 4.34Å; F821-I844 HydrophobicContact CZ-CG2 4.16Å; F821-H880 PolarHBondContact O-CD2 2.76Å; F821-V881 HydrophobicContact CD1-CB 4.42Å; F821-V881 HydrophobicContact CE1-CB 3.98Å; F821-V881 HydrophobicContact CE1-CG1 3.99Å; F821-V881 HydrophobicContact CE2-CB 4.15Å; F821-V881 HydrophobicContact CE2-CG2 4.1Å; F821-V881 HydrophobicContact CZ-CB 3.83Å; F821-V881 HydrophobicContact CZ-CG1 4.02Å; F821-V881 HydrophobicContact CZ-CG2 4.04Å; F821-V881 PolarHBondContact N-O 2.85Å; F821-V881 PolarHBondContact O-N 2.75Å; F821-I934 HydrophobicContact CB-CG2 4.2Å; F821-I934 HydrophobicContact CD2-CG2 4.06Å; F821-I934 HydrophobicContact CG-CG2 4.36Å; F821-L937 HydrophobicContact CB-CB 4.22Å; F821-L937 HydrophobicContact CB-CD1 3.82Å; F821-L937 HydrophobicContact CD1-CD1 3.82Å; F821-L937 HydrophobicContact CG-CD1 4.09Å
822	F	95.9	Very high	93.6	Very high	30 Å²	30	33 Å²	33	13%	0.132	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	142.5	167.5	-63.5	-98.4	0	0	0	110.6	W878 H879 H880 I934 R935	F822-W878 HydrophobicContact CB-CE3 3.71Å; F822-W878 HydrophobicContact CB-CZ3 4.12Å; F822-H879 CarbonylContact C-O 3.54Å; F822-H879 WeakPolarHBondContact CA-O 3.15Å; F822-H880 HydrophobicContact CD1-CB 3.79Å; F822-H880 HydrophobicContact CE1-CB 3.57Å; F822-H880 AromaticContact CE1-CG 3.73Å; F822-H880 HydrophobicContact CZ-CB 4.2Å; F822-H880 AromaticContact CZ-CD2 4Å; F822-H880 AromaticContact CZ-CG 3.83Å; F822-H880 AromaticContact CZ-ND1 3.91Å; F822-I934 CarbonylContact O-C 3.54Å; F822-I934 WeakPolarHBondContact O-CA 3.49Å; F822-R935 HydrophobicContact CB-CB 4.43Å; F822-R935 PolarHBondContact N-O 2.83Å; F822-R935 PolarHBondContact O-N 2.85Å
823	F	97	Very high	94	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	158.2	170.9	78.9	-86	0	0	0	112.5	F821 T825 F832 V852 F873 W878 H879 V881 F930 C933	F821-F823 HydrophobicContact CD2-CB 4.32Å; F821-F823 HydrophobicContact CE2-CB 4.16Å; F821-F823 HydrophobicContact CE2-CD1 4.19Å; F823-T825 HydrophobicContact CD2-CG2 4.08Å; F823-T825 HydrophobicContact CE2-CG2 4Å; F823-F832 HydrophobicContact CB-CD1 4.24Å; F823-F832 HydrophobicContact CB-CE1 3.63Å; F823-F832 HydrophobicContact CB-CZ 4.29Å; F823-F832 AromaticContact CD1-CE1 3.93Å; F823-F832 HydrophobicContact CD1-CE1 3.93Å; F823-F832 HydrophobicContact CD1-CE2 4.45Å; F823-F832 AromaticContact CD1-CZ 3.69Å; F823-F832 HydrophobicContact CD1-CZ 3.69Å; F823-F832 AromaticContact CD2-CE1 3.58Å; F823-F832 HydrophobicContact CD2-CE1 3.58Å; F823-F832 AromaticContact CD2-CZ 3.64Å; F823-F832 HydrophobicContact CD2-CZ 3.64Å; F823-F832 HydrophobicContact CE1-CE1 4.48Å; F823-F832 HydrophobicContact CE1-CE2 4.44Å; F823-F832 AromaticContact CE1-CZ 3.81Å; F823-F832 HydrophobicContact CE1-CZ 3.81Å; F823-F832 HydrophobicContact CE2-CE1 4.19Å; F823-F832 AromaticContact CE2-CZ 3.78Å; F823-F832 HydrophobicContact CE2-CZ 3.78Å; F823-F832 HydrophobicContact CG-CD1 4.41Å; F823-F832 AromaticContact CG-CE1 3.42Å; F823-F832 HydrophobicContact CG-CE1 3.42Å; F823-F832 VanDerWaalsContact CG-CE1 3.42Å; F823-F832 AromaticContact CG-CZ 3.59Å; F823-F832 HydrophobicContact CG-CZ 3.59Å; F823-F832 AromaticContact CZ-CZ 3.85Å; F823-F832 HydrophobicContact CZ-CZ 3.85Å; F823-V852 HydrophobicContact CE1-CG2 4.39Å; F823-V852 HydrophobicContact CZ-CG2 4.29Å; F823-F873 HydrophobicContact CE2-CB 4.18Å; F823-F873 HydrophobicContact CZ-CB 3.9Å; F823-F873 HydrophobicContact CZ-CD1 4.45Å; F823-F873 HydrophobicContact CZ-CG 4.27Å; F823-W878 WeakPolarHBondContact O-CA 3.01Å; F823-H879 HydrophobicContact CD1-CB 3.99Å; F823-H879 HydrophobicContact CE1-CB 3.52Å; F823-H879 HydrophobicContact CE2-CB 4.39Å; F823-H879 HydrophobicContact CZ-CB 3.75Å; F823-H879 PolarHBondContact N-O 2.94Å; F823-H879 PolarHBondContact O-N 2.73Å; F823-V881 HydrophobicContact CD1-CG2 3.73Å; F823-V881 HydrophobicContact CE1-CG2 3.6Å; F823-F930 HydrophobicContact CB-CZ 4.13Å; F823-F930 HydrophobicContact CD2-CE2 4.25Å; F823-F930 HydrophobicContact CD2-CZ 4.32Å; F823-C933 CarbonylContact C-O 3.53Å; F823-C933 WeakPolarHBondContact CA-O 3.49Å
824	K	94.4	Very high	94.6	Very high	17 Å²	17	27.2 Å²	27.2	7%	0.074	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	129.8	174.3	-179.3	171.1	82.8	81	0	109.4	N876 Q877 W878 G932 C933	K824-N876 VanDerWaalsContact CD-O 3.28Å; K824-N876 WeakPolarHBondContact CD-O 3.14Å; K824-N876 VanDerWaalsContact CG-C 3.46Å; K824-N876 PolarHBondContact NZ-OD1 2.92Å; K824-Q877 WeakPolarHBondContact CA-O 3.36Å; K824-Q877 WeakPolarHBondContact CB-O 3.41Å; K824-Q877 WeakPolarHBondContact CG-O 3.49Å; K824-W878 HydrophobicContact CB-CD2 3.99Å; K824-W878 HydrophobicContact CB-CE3 3.81Å; K824-W878 HydrophobicContact CB-CZ3 4.09Å; K824-W878 HydrophobicContact CD-CD2 4.3Å; K824-W878 HydrophobicContact CD-CG 4.41Å; K824-G932 CarbonylContact O-C 3.45Å; K824-G932 VanDerWaalsContact O-CA 3.31Å; K824-G932 WeakPolarHBondContact O-CA 3.4Å; K824-C933 PolarHBondContact N-O 2.56Å; K824-C933 PolarHBondContact O-N 3.23Å
825	T	95.5	Very high	95	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.018	14%	0.136	C	C	.	.			trans	-152.9	163.2	-174.9	-173.2	0	0	0	0	112.5	F823 A827 L846 N874 N876 F930 L931	F823-T825 HydrophobicContact CD2-CG2 4.08Å; F823-T825 HydrophobicContact CE2-CG2 4Å; T825-A827 WeakPolarHBondContact OG1-CB 3.41Å; T825-A827 PolarHBondContact OG1-N 2.83Å; T825-L846 HydrophobicContact CG2-CD2 3.8Å; T825-N874 HydrophobicContact CG2-CB 4.06Å; T825-N874 CarbonylContact O-C 3.56Å; T825-N874 WeakPolarHBondContact O-CA 3.25Å; T825-N876 WeakPolarHBondContact O-CA 3.49Å; T825-N876 PolarHBondContact O-N 3.35Å; T825-N876 VanDerWaalsContact O-N 3.11Å; T825-F930 HydrophobicContact CG2-CE2 4.03Å; T825-L931 WeakPolarHBondContact CB-O 3.49Å; T825-L931 PolarHBondContact OG1-O 3.03Å
826	T	94.8	Very high	95.4	Very high	100 Å²	100	22 Å²	22	61%	0.613	13%	0.128	S	C	*	.			trans	-118.2	-1.6	164.1	56.1	0	0	0	0	111.8	N874 N876	T826-N874 PolarHBondContact O-ND2 3.46Å; T826-N876 HydrophobicContact CG2-CB 3.8Å
827	A	95.6	Very high	95.4	Very high	16 Å²	16	22 Å²	22	13%	0.132	13%	0.13	C	C	.	.	S	Bend	trans	-73.5	156.3	-179.9	0	0	0	0	0	111.3	T825 S829 N874 L931	T825-A827 WeakPolarHBondContact OG1-CB 3.41Å; T825-A827 PolarHBondContact OG1-N 2.83Å; A827-S829 VanDerWaalsContact C-N 3.35Å; A827-N874 WeakPolarHBondContact O-CB 3.11Å; A827-N874 PolarHBondContact O-ND2 3.09Å; A827-L931 HydrophobicContact CB-CB 4.01Å
828	L	96.6	Very high	94.8	Very high	121 Å²	121	29.2 Å²	29.2	63%	0.634	17%	0.168	S	C	*	.	S	Bend	trans	-78.9	-22.1	-178.4	-60.9	175.9	0	0	0	112.9	S848 P849	L828-S848 CarbonylContact O-C 3.47Å; L828-P849 HydrophobicContact CB-CG 4.32Å; L828-P849 HydrophobicContact CD2-CG 3.83Å; L828-P849 VanDerWaalsContact O-CD 3.22Å; L828-P849 WeakPolarHBondContact O-CD 3.09Å
829	S	96.4	Very high	94.1	Very high	56 Å²	56	32.7 Å²	32.7	39%	0.392	19%	0.189	S	C	.	.			trans	-163.4	163.8	-179.1	58	0	0	0	0	110.6	A827 L846	A827-S829 VanDerWaalsContact C-N 3.35Å; S829-L846 CarbonylContact C-O 3.48Å; S829-L846 WeakPolarHBondContact CA-O 3.22Å; S829-L846 VanDerWaalsContact CB-O 3.25Å; S829-L846 WeakPolarHBondContact CB-O 3.49Å
830	G	96.3	Very high	93.9	Very high	3 Å²	3	33 Å²	33	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.3	147.6	171.4	0	0	0	0	0	113.3	E845 L846	G830-E845 WeakPolarHBondContact O-CA 3.47Å; G830-L846 PolarHBondContact N-O 3.07Å; G830-L846 PolarHBondContact O-N 2.94Å
831	V	97.2	Very high	93.9	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.012	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	121.4	176.6	178.8	0	0	0	0	110.3	E834 R843 E845 G921 G922 T923 R928 F930	V831-E834 HydrophobicContact CG1-CB 4.28Å; V831-R843 HydrophobicContact CG1-CG 4.03Å; V831-E845 HydrophobicContact CG2-CB 4.15Å; V831-G921 CarbonylContact O-C 3.49Å; V831-G921 VanDerWaalsContact O-C 3.29Å; V831-G921 WeakPolarHBondContact O-CA 3.25Å; V831-G922 PolarHBondContact O-N 3.4Å; V831-T923 HydrophobicContact CB-CG2 3.86Å; V831-T923 HydrophobicContact CG1-CG2 3.94Å; V831-T923 HydrophobicContact CG2-CG2 3.65Å; V831-R928 HydrophobicContact CG2-CB 4.38Å; V831-R928 PolarHBondContact N-O 2.78Å; V831-F930 VanDerWaalsContact O-CB 3.27Å; V831-F930 WeakPolarHBondContact O-CB 3.41Å
832	F	97.6	Very high	93.8	Very high	1 Å²	1	34.1 Å²	34.1	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	-44.1	178.1	-58.9	-65.1	0	0	0	111.8	F821 F823 I844 L846 V852 V920 G921 F930 I934	F821-F832 HydrophobicContact CE1-CB 4.45Å; F821-F832 HydrophobicContact CE2-CB 3.92Å; F821-F832 AromaticContact CE2-CD1 3.84Å; F821-F832 HydrophobicContact CE2-CD1 3.84Å; F821-F832 HydrophobicContact CE2-CD2 4.09Å; F821-F832 HydrophobicContact CE2-CE1 4.3Å; F821-F832 AromaticContact CE2-CG 3.7Å; F821-F832 HydrophobicContact CE2-CG 3.7Å; F821-F832 HydrophobicContact CZ-CB 3.59Å; F821-F832 HydrophobicContact CZ-CD1 4.25Å; F821-F832 AromaticContact CZ-CD2 3.75Å; F821-F832 HydrophobicContact CZ-CD2 3.75Å; F821-F832 HydrophobicContact CZ-CE2 4.43Å; F821-F832 AromaticContact CZ-CG 3.63Å; F821-F832 HydrophobicContact CZ-CG 3.63Å; F823-F832 HydrophobicContact CB-CD1 4.24Å; F823-F832 HydrophobicContact CB-CE1 3.63Å; F823-F832 HydrophobicContact CB-CZ 4.29Å; F823-F832 AromaticContact CD1-CE1 3.93Å; F823-F832 HydrophobicContact CD1-CE1 3.93Å; F823-F832 HydrophobicContact CD1-CE2 4.45Å; F823-F832 AromaticContact CD1-CZ 3.69Å; F823-F832 HydrophobicContact CD1-CZ 3.69Å; F823-F832 AromaticContact CD2-CE1 3.58Å; F823-F832 HydrophobicContact CD2-CE1 3.58Å; F823-F832 AromaticContact CD2-CZ 3.64Å; F823-F832 HydrophobicContact CD2-CZ 3.64Å; F823-F832 HydrophobicContact CE1-CE1 4.48Å; F823-F832 HydrophobicContact CE1-CE2 4.44Å; F823-F832 AromaticContact CE1-CZ 3.81Å; F823-F832 HydrophobicContact CE1-CZ 3.81Å; F823-F832 HydrophobicContact CE2-CE1 4.19Å; F823-F832 AromaticContact CE2-CZ 3.78Å; F823-F832 HydrophobicContact CE2-CZ 3.78Å; F823-F832 HydrophobicContact CG-CD1 4.41Å; F823-F832 AromaticContact CG-CE1 3.42Å; F823-F832 HydrophobicContact CG-CE1 3.42Å; F823-F832 VanDerWaalsContact CG-CE1 3.42Å; F823-F832 AromaticContact CG-CZ 3.59Å; F823-F832 HydrophobicContact CG-CZ 3.59Å; F823-F832 AromaticContact CZ-CZ 3.85Å; F823-F832 HydrophobicContact CZ-CZ 3.85Å; F832-I844 WeakPolarHBondContact CB-O 2.79Å; F832-I844 HydrophobicContact CD2-CG2 4.01Å; F832-I844 PolarHBondContact N-O 3.2Å; F832-L846 HydrophobicContact CE2-CB 3.92Å; F832-L846 VanDerWaalsContact CE2-N 3.29Å; F832-L846 HydrophobicContact CZ-CB 3.72Å; F832-V852 HydrophobicContact CE2-CG1 4.39Å; F832-V920 CarbonylContact O-C 3.5Å; F832-V920 WeakPolarHBondContact O-CA 3.27Å; F832-G921 PolarHBondContact O-N 3.36Å; F832-F930 AromaticContact CD1-CD2 3.76Å; F832-F930 HydrophobicContact CD1-CD2 3.76Å; F832-F930 AromaticContact CD1-CE2 3.9Å; F832-F930 HydrophobicContact CD1-CE2 3.9Å; F832-F930 HydrophobicContact CD1-CG 4.11Å; F832-F930 HydrophobicContact CD1-CZ 4.32Å; F832-F930 AromaticContact CE1-CD2 3.57Å; F832-F930 HydrophobicContact CE1-CD2 3.57Å; F832-F930 AromaticContact CE1-CE2 3.33Å; F832-F930 HydrophobicContact CE1-CE2 3.33Å; F832-F930 HydrophobicContact CE1-CG 4.35Å; F832-F930 AromaticContact CE1-CZ 3.92Å; F832-F930 HydrophobicContact CE1-CZ 3.92Å; F832-F930 HydrophobicContact CZ-CE2 4.33Å; F832-I934 HydrophobicContact CB-CD1 4.45Å; F832-I934 HydrophobicContact CD1-CD1 4.33Å
833	L	96.7	Very high	93.8	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	141.3	-175	179.5	149.3	0	0	0	110.6	V819 I842 R843 I844 L918 F919 V920 L937 L939	V819-L833 HydrophobicContact CG1-CD1 4.37Å; L833-I842 HydrophobicContact CD2-CG2 4.31Å; L833-R843 WeakPolarHBondContact O-CA 3.48Å; L833-I844 PolarHBondContact N-O 3.46Å; L833-I844 PolarHBondContact O-N 2.99Å; L833-L918 HydrophobicContact CD1-CD1 3.86Å; L833-L918 HydrophobicContact CD1-CD2 4.07Å; L833-L918 HydrophobicContact CD1-CG 4.3Å; L833-L918 HydrophobicContact CD2-CD1 3.68Å; L833-L918 HydrophobicContact CG-CD1 3.62Å; L833-L918 HydrophobicContact CG-CG 4.35Å; L833-F919 CarbonylContact C-O 3.56Å; L833-F919 VanDerWaalsContact CA-O 3.25Å; L833-F919 WeakPolarHBondContact CA-O 3.49Å; L833-V920 HydrophobicContact CD1-CG2 4.3Å; L833-L937 HydrophobicContact CD1-CD1 4.25Å; L833-L937 HydrophobicContact CD1-CD2 4.39Å; L833-L939 HydrophobicContact CD1-CD2 4Å
834	E	96.6	Very high	93.9	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.028	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	129.8	175.4	174.3	174.9	84.8	0	0	110.8	V831 L836 I842 R843 F919 T923 A924	V831-E834 HydrophobicContact CG1-CB 4.28Å; E834-L836 HydrophobicContact CG-CD2 3.8Å; E834-L836 HydrophobicContact CG-CG 4.11Å; E834-I842 WeakPolarHBondContact CA-O 3.07Å; E834-R843 IonicContact OE2-CZ 2.97Å; E834-R843 IonicContact OE2-NE 3.79Å; E834-R843 PolarHBondContact OE2-NE 2.05Å; E834-R843 IonicContact OE2-NH2 3.2Å; E834-R843 PolarHBondContact OE2-NH2 2.91Å; E834-F919 HydrophobicContact CB-CB 4.45Å; E834-F919 PolarHBondContact N-O 2.8Å; E834-F919 PolarHBondContact O-N 3.27Å; E834-T923 VanDerWaalsContact OE1-CA 3.3Å; E834-T923 WeakPolarHBondContact OE1-CA 3.49Å; E834-T923 WeakPolarHBondContact OE1-CB 3.39Å; E834-A924 PolarHBondContact OE1-N 2.92Å
835	N	95.7	Very high	94	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	136.1	164.4	-149.3	137.5	0	0	0	108.8	F811 F841 I842 L914 S916 L918	F811-N835 PolarHBondContact N-OD1 3.09Å; N835-F841 WeakPolarHBondContact O-CA 3.49Å; N835-I842 HydrophobicContact CB-CG2 3.68Å; N835-I842 PolarHBondContact N-O 3Å; N835-I842 PolarHBondContact O-N 2.94Å; N835-L914 HydrophobicContact CB-CD1 3.82Å; N835-L914 HydrophobicContact CB-CD2 4.17Å; N835-L914 HydrophobicContact CB-CG 4.46Å; N835-S916 PolarHBondContact ND2-O 2.83Å; N835-S916 PolarHBondContact ND2-OG 2.86Å; N835-L918 HydrophobicContact CB-CD1 3.73Å
836	L	94.6	Very high	94.2	Very high	52 Å²	52	35.9 Å²	35.9	27%	0.272	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	148.6	-178.5	-52.8	175.9	0	0	0	111.1	E834 F841 N915 S916 A924	E834-L836 HydrophobicContact CG-CD2 3.8Å; E834-L836 HydrophobicContact CG-CG 4.11Å; L836-F841 HydrophobicContact CD2-CB 3.91Å; L836-N915 PolarHBondContact O-N 2.96Å; L836-N915 PolarHBondContact O-OD1 2.86Å; L836-S916 PolarHBondContact N-OG 2.97Å; L836-S916 WeakPolarHBondContact O-CB 3.18Å; L836-S916 PolarHBondContact O-N 3.32Å; L836-S916 PolarHBondContact O-OG 3.04Å; L836-A924 HydrophobicContact CD1-CB 4.08Å
837	G	88.8	Confident	94.3	Very high	16 Å²	16	36 Å²	36	17%	0.165	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-115.3	-164.7	166.6	0	0	0	0	0	110.6	D840 Q913 N915	G837-D840 WeakPolarHBondContact CA-O 3.38Å; G837-D840 PolarHBondContact N-O 3.19Å; G837-Q913 WeakPolarHBondContact CA-O 3.49Å; G837-N915 VanDerWaalsContact CA-OD1 3.32Å; G837-N915 WeakPolarHBondContact CA-OD1 3.44Å
838	I	80.7	Confident	94.4	Very high	153 Å²	153	36.8 Å²	36.8	79%	0.785	19%	0.194	S	C	*	.	S	Bend	trans	-70.4	-47.4	173.8	-56.4	-178	0	0	0	110.2	N915	I838-N915 WeakPolarHBondContact CG1-ND2 3.31Å
839	T	77.9	Confident	94.4	Very high	92 Å²	92	32.4 Å²	32.4	56%	0.564	17%	0.172	S	C	*	.	S	Bend	trans	-116.6	-39.1	175.5	45.9	0	0	0	0	110.6
840	D	90.9	Very high	94.5	Very high	6 Å²	6	31.6 Å²	31.6	3%	0.032	17%	0.165	C	C	.	.			trans	-78.2	154	-171.6	-63.2	14.2	0	0	0	111.3	G837 D857 G859 L912 Q913	G837-D840 WeakPolarHBondContact CA-O 3.38Å; G837-D840 PolarHBondContact N-O 3.19Å; D840-D857 WeakPolarHBondContact CA-O 3.19Å; D840-D857 WeakPolarHBondContact CB-O 3.45Å; D840-G859 PolarHBondContact OD1-N 3.27Å; D840-L912 HydrophobicContact CB-CD1 4.16Å; D840-Q913 PolarHBondContact OD2-N 3.24Å
841	F	94.9	Very high	94.6	Very high	40 Å²	40	32.1 Å²	32.1	18%	0.175	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	165	171.7	68.5	-87.7	0	0	0	111.3	N835 L836 R843 F856 D857 P862	N835-F841 WeakPolarHBondContact O-CA 3.49Å; L836-F841 HydrophobicContact CD2-CB 3.91Å; F841-R843 HydrophobicContact CD2-CB 4.39Å; F841-F856 CarbonylContact O-C 3.46Å; F841-F856 WeakPolarHBondContact O-CA 3.42Å; F841-F856 WeakPolarHBondContact O-CB 3.42Å; F841-D857 HydrophobicContact CD1-CB 3.72Å; F841-D857 HydrophobicContact CE1-CB 3.56Å; F841-D857 HydrophobicContact CZ-CB 4.41Å; F841-D857 PolarHBondContact N-O 3.31Å; F841-D857 VanDerWaalsContact N-O 3.09Å; F841-D857 PolarHBondContact O-N 2.82Å; F841-P862 HydrophobicContact CE1-CB 4.15Å; F841-P862 HydrophobicContact CZ-CB 4.08Å
842	I	96.1	Very high	94.6	Very high	2 Å²	2	32 Å²	32	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	133.8	168.5	-162.9	178.4	0	0	0	109.2	F811 L833 E834 N835 F854 F856 L914	F811-I842 HydrophobicContact CD1-CD1 4.49Å; F811-I842 HydrophobicContact CE1-CD1 4.18Å; L833-I842 HydrophobicContact CD2-CG2 4.31Å; E834-I842 WeakPolarHBondContact CA-O 3.07Å; N835-I842 HydrophobicContact CB-CG2 3.68Å; N835-I842 PolarHBondContact N-O 3Å; N835-I842 PolarHBondContact O-N 2.94Å; I842-F854 HydrophobicContact CD1-CE2 3.84Å; I842-F854 HydrophobicContact CD1-CZ 4.28Å; I842-F854 HydrophobicContact CG1-CE2 3.54Å; I842-F854 HydrophobicContact CG1-CZ 4.3Å; I842-F856 HydrophobicContact CG1-CB 4.48Å; I842-L914 HydrophobicContact CG2-CD1 4.08Å
843	R	96.7	Very high	94.7	Very high	73 Å²	73	32 Å²	32	28%	0.275	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	136.8	179.2	-172.1	-175.2	-69.4	149.4	1.5	111.5	V831 L833 E834 F841 S855	V831-R843 HydrophobicContact CG1-CG 4.03Å; L833-R843 WeakPolarHBondContact O-CA 3.48Å; E834-R843 IonicContact OE2-CZ 2.97Å; E834-R843 IonicContact OE2-NE 3.79Å; E834-R843 PolarHBondContact OE2-NE 2.05Å; E834-R843 IonicContact OE2-NH2 3.2Å; E834-R843 PolarHBondContact OE2-NH2 2.91Å; F841-R843 HydrophobicContact CD2-CB 4.39Å; R843-S855 PolarHBondContact N-O 2.9Å; R843-S855 PolarHBondContact O-N 3.5Å
844	I	98.3	Very high	94.8	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127.6	171.4	-48.7	170.8	0	0	0	108.1	V819 F821 F832 L833 V852 T853 F854 V881 V883	V819-I844 HydrophobicContact CB-CD1 3.94Å; V819-I844 HydrophobicContact CG1-CD1 3.7Å; V819-I844 HydrophobicContact CG2-CD1 4.36Å; F821-I844 HydrophobicContact CE1-CD1 4.09Å; F821-I844 HydrophobicContact CE1-CG2 4.34Å; F821-I844 HydrophobicContact CZ-CG2 4.16Å; F832-I844 WeakPolarHBondContact CB-O 2.79Å; F832-I844 HydrophobicContact CD2-CG2 4.01Å; F832-I844 PolarHBondContact N-O 3.2Å; L833-I844 PolarHBondContact N-O 3.46Å; L833-I844 PolarHBondContact O-N 2.99Å; I844-V852 HydrophobicContact CG2-CG1 4.43Å; I844-T853 WeakPolarHBondContact CA-O 3.11Å; I844-F854 HydrophobicContact CG1-CD2 3.99Å; I844-V881 HydrophobicContact CG2-CG1 4.23Å; I844-V883 HydrophobicContact CD1-CB 4.13Å; I844-V883 HydrophobicContact CD1-CG1 4.44Å; I844-V883 HydrophobicContact CD1-CG2 3.85Å; I844-V883 HydrophobicContact CG1-CG2 4.33Å
845	E	97.4	Very high	94.8	Very high	12 Å²	12	31.7 Å²	31.7	6%	0.056	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	150.6	-175.3	66.2	176.1	-176.2	0	0	113.5	G830 V831 R847 V852 T853	G830-E845 WeakPolarHBondContact O-CA 3.47Å; V831-E845 HydrophobicContact CG2-CB 4.15Å; E845-R847 HydrophobicContact CG-CB 4.38Å; E845-R847 PolarHBondContact O-N 3.19Å; E845-R847 IonicContact OE1-CZ 3.92Å; E845-R847 IonicContact OE1-NE 3.5Å; E845-R847 PolarHBondContact OE1-NE 2.91Å; E845-R847 IonicContact OE1-NH2 2.71Å; E845-R847 PolarHBondContact OE1-NH2 3.2Å; E845-V852 CarbonylContact O-C 3.54Å; E845-V852 WeakPolarHBondContact O-CA 3.18Å; E845-T853 PolarHBondContact N-O 3.1Å; E845-T853 PolarHBondContact O-N 3.29Å
846	L	98.2	Very high	94.7	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	98.7	158	-175.3	70.4	0	0	0	107.2	T825 S829 G830 F832 S848 V852 F873	T825-L846 HydrophobicContact CG2-CD2 3.8Å; S829-L846 CarbonylContact C-O 3.48Å; S829-L846 WeakPolarHBondContact CA-O 3.22Å; S829-L846 VanDerWaalsContact CB-O 3.25Å; S829-L846 WeakPolarHBondContact CB-O 3.49Å; G830-L846 PolarHBondContact N-O 3.07Å; G830-L846 PolarHBondContact O-N 2.94Å; F832-L846 HydrophobicContact CE2-CB 3.92Å; F832-L846 VanDerWaalsContact CE2-N 3.29Å; F832-L846 HydrophobicContact CZ-CB 3.72Å; L846-S848 WeakPolarHBondContact CD1-O 3.24Å; L846-S848 WeakPolarHBondContact CG-O 3Å; L846-V852 HydrophobicContact CD1-CG2 4.01Å; L846-F873 HydrophobicContact CD1-CB 4.05Å; L846-F873 HydrophobicContact CD1-CD2 4.23Å
847	R	96.7	Very high	94.6	Very high	103 Å²	103	31.4 Å²	31.4	39%	0.389	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	-36.1	-177.8	-178.5	170.7	-70.4	-171.9	-5.5	111.9	E845 T851 E864	E845-R847 HydrophobicContact CG-CB 4.38Å; E845-R847 PolarHBondContact O-N 3.19Å; E845-R847 IonicContact OE1-CZ 3.92Å; E845-R847 IonicContact OE1-NE 3.5Å; E845-R847 PolarHBondContact OE1-NE 2.91Å; E845-R847 IonicContact OE1-NH2 2.71Å; E845-R847 PolarHBondContact OE1-NH2 3.2Å; R847-T851 PolarHBondContact N-O 3.46Å; R847-E864 IonicContact CZ-OE1 2.71Å; R847-E864 IonicContact CZ-OE2 3.68Å; R847-E864 IonicContact NH1-OE1 3.7Å; R847-E864 IonicContact NH1-OE2 3.41Å; R847-E864 PolarHBondContact NH1-OE2 3.38Å; R847-E864 VanDerWaalsContact NH2-CD 3.31Å; R847-E864 IonicContact NH2-OE1 3.7Å; R847-E864 PolarHBondContact NH2-OE1 2.82Å; R847-E864 IonicContact NH2-OE2 2.73Å; R847-E864 PolarHBondContact NH2-OE2 3.45Å
848	S	97.4	Very high	94.6	Very high	32 Å²	32	31 Å²	31	22%	0.224	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	167.2	175.4	88.7	0	0	0	0	108.9	L828 L846 T850 T851	L828-S848 CarbonylContact O-C 3.47Å; L846-S848 WeakPolarHBondContact CD1-O 3.24Å; L846-S848 WeakPolarHBondContact CG-O 3Å; S848-T850 PolarHBondContact O-N 3.25Å; S848-T850 PolarHBondContact OG-N 3.25Å; S848-T850 PolarHBondContact OG-OG1 3.21Å; S848-T851 PolarHBondContact N-O 3.37Å; S848-T851 PolarHBondContact O-N 2.81Å; S848-T851 VanDerWaalsContact OG-CB 3.31Å; S848-T851 WeakPolarHBondContact OG-CB 3.12Å; S848-T851 PolarHBondContact OG-N 3.34Å; S848-T851 PolarHBondContact OG-OG1 2.77Å
849	P	97.7	Very high	94.6	Very high	28 Å²	28	25.1 Å²	25.1	18%	0.182	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-17.9	177.4	-26.7	36.2	0	0	0	114.7	L828 H872 F873	L828-P849 HydrophobicContact CB-CG 4.32Å; L828-P849 HydrophobicContact CD2-CG 3.83Å; L828-P849 VanDerWaalsContact O-CD 3.22Å; L828-P849 WeakPolarHBondContact O-CD 3.09Å; P849-H872 VanDerWaalsContact CB-CD2 3.47Å; P849-H872 WeakPolarHBondContact CB-CD2 3.39Å; P849-H872 CarbonylContact O-C 3.58Å; P849-H872 WeakPolarHBondContact O-CA 3.23Å; P849-F873 PolarHBondContact O-N 3.32Å
850	T	97.8	Very high	94.7	Very high	40 Å²	40	23.4 Å²	23.4	25%	0.245	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	2.6	-179.2	56.1	0	0	0	0	113.1	S848 H868 S869 F873	S848-T850 PolarHBondContact O-N 3.25Å; S848-T850 PolarHBondContact OG-N 3.25Å; S848-T850 PolarHBondContact OG-OG1 3.21Å; T850-H868 CarbonylContact O-C 3.44Å; T850-H868 WeakPolarHBondContact O-CA 3.49Å; T850-S869 PolarHBondContact O-N 3.37Å; T850-F873 WeakPolarHBondContact O-CE2 3.36Å
851	T	98.5	Very high	94.4	Very high	13 Å²	13	24.6 Å²	24.6	8%	0.08	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	118.6	-172.7	-50.2	0	0	0	0	111.8	R847 S848 V867 H868	R847-T851 PolarHBondContact N-O 3.46Å; S848-T851 PolarHBondContact N-O 3.37Å; S848-T851 PolarHBondContact O-N 2.81Å; S848-T851 VanDerWaalsContact OG-CB 3.31Å; S848-T851 WeakPolarHBondContact OG-CB 3.12Å; S848-T851 PolarHBondContact OG-N 3.34Å; S848-T851 PolarHBondContact OG-OG1 2.77Å; T851-V867 WeakPolarHBondContact CA-O 3.47Å; T851-H868 PolarHBondContact OG1-CD2 3.28Å; T851-H868 VanDerWaalsContact OG1-CD2 3.28Å
852	V	98.6	Very high	94.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	135.6	165.3	175.7	0	0	0	0	108.5	F823 F832 I844 E845 L846 S866 V867 F873 V881 L892 V894	F823-V852 HydrophobicContact CE1-CG2 4.39Å; F823-V852 HydrophobicContact CZ-CG2 4.29Å; F832-V852 HydrophobicContact CE2-CG1 4.39Å; I844-V852 HydrophobicContact CG2-CG1 4.43Å; E845-V852 CarbonylContact O-C 3.54Å; E845-V852 WeakPolarHBondContact O-CA 3.18Å; L846-V852 HydrophobicContact CD1-CG2 4.01Å; V852-S866 CarbonylContact O-C 3.1Å; V852-S866 VanDerWaalsContact O-CA 3.31Å; V852-S866 WeakPolarHBondContact O-CA 3.22Å; V852-V867 PolarHBondContact N-O 2.93Å; V852-V867 VanDerWaalsContact N-O 3.13Å; V852-V867 PolarHBondContact O-N 3.01Å; V852-F873 HydrophobicContact CG2-CD2 4.01Å; V852-F873 HydrophobicContact CG2-CE2 3.96Å; V852-V881 HydrophobicContact CG1-CG2 4.42Å; V852-L892 HydrophobicContact CG1-CD1 4.24Å; V852-L892 HydrophobicContact CG1-CD2 4.41Å; V852-L892 WeakPolarHBondContact O-CD2 3.34Å; V852-V894 HydrophobicContact CB-CG2 3.87Å; V852-V894 HydrophobicContact CG1-CG2 4.03Å; V852-V894 HydrophobicContact CG2-CG2 4.12Å
853	T	98.5	Very high	93.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	137.7	-178.7	-58.3	0	0	0	0	111	I844 E845 E864 L865 S866	I844-T853 WeakPolarHBondContact CA-O 3.11Å; E845-T853 PolarHBondContact N-O 3.1Å; E845-T853 PolarHBondContact O-N 3.29Å; T853-E864 HydrophobicContact CG2-CB 4.29Å; T853-L865 CarbonylContact C-O 3.59Å; T853-L865 VanDerWaalsContact CA-O 3.27Å; T853-L865 WeakPolarHBondContact CA-O 3.15Å; T853-L865 WeakPolarHBondContact CG2-O 3.37Å; T853-S866 WeakPolarHBondContact CG2-OG 3.47Å; T853-S866 PolarHBondContact OG1-OG 3.01Å
854	F	98.2	Very high	93.9	Very high	1 Å²	1	31.4 Å²	31.4	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	120.1	168.8	170	-138.6	0	0	0	108.6	I842 I844 F856 E864 L865 V883 R885 A890 L892	I842-F854 HydrophobicContact CD1-CE2 3.84Å; I842-F854 HydrophobicContact CD1-CZ 4.28Å; I842-F854 HydrophobicContact CG1-CE2 3.54Å; I842-F854 HydrophobicContact CG1-CZ 4.3Å; I844-F854 HydrophobicContact CG1-CD2 3.99Å; F854-F856 HydrophobicContact CD1-CD1 4.23Å; F854-F856 HydrophobicContact CD1-CE1 4.4Å; F854-F856 AromaticContact CE1-CD1 3.6Å; F854-F856 HydrophobicContact CE1-CD1 3.6Å; F854-F856 AromaticContact CE1-CE1 3.79Å; F854-F856 HydrophobicContact CE1-CE1 3.79Å; F854-F856 HydrophobicContact CE2-CB 4.37Å; F854-F856 HydrophobicContact CE2-CD1 4.03Å; F854-F856 HydrophobicContact CZ-CB 4.37Å; F854-F856 AromaticContact CZ-CD1 3.48Å; F854-F856 HydrophobicContact CZ-CD1 3.48Å; F854-F856 VanDerWaalsContact CZ-CD1 3.48Å; F854-F856 HydrophobicContact CZ-CE1 4.11Å; F854-F856 HydrophobicContact CZ-CG 4.2Å; F854-E864 CarbonylContact O-C 3.5Å; F854-E864 WeakPolarHBondContact O-CA 3.47Å; F854-L865 HydrophobicContact CB-CB 4.42Å; F854-L865 HydrophobicContact CD1-CD1 4.03Å; F854-L865 PolarHBondContact N-O 3.4Å; F854-L865 PolarHBondContact O-N 3.03Å; F854-V883 HydrophobicContact CB-CG2 4.19Å; F854-V883 HydrophobicContact CD1-CG1 3.45Å; F854-V883 VanDerWaalsContact CD1-CG1 3.45Å; F854-V883 HydrophobicContact CD1-CG2 4.46Å; F854-V883 HydrophobicContact CD2-CG1 3.65Å; F854-V883 HydrophobicContact CD2-CG2 4.47Å; F854-V883 HydrophobicContact CE1-CG1 3.34Å; F854-V883 HydrophobicContact CE2-CG1 3.53Å; F854-V883 HydrophobicContact CG-CG1 3.61Å; F854-V883 HydrophobicContact CG-CG2 4.15Å; F854-V883 HydrophobicContact CZ-CG1 3.39Å; F854-R885 HydrophobicContact CE1-CB 4.42Å; F854-R885 HydrophobicContact CZ-CB 4.23Å; F854-A890 HydrophobicContact CE1-CB 4.21Å; F854-L892 HydrophobicContact CB-CB 4.24Å; F854-L892 HydrophobicContact CB-CD1 4.34Å; F854-L892 HydrophobicContact CB-CD2 4.05Å; F854-L892 HydrophobicContact CB-CG 4.43Å
855	S	96.6	Very high	93.8	Very high	1 Å²	1	32 Å²	32	1%	0.007	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	140.1	-179.6	-51.8	0	0	0	0	110.6	R843 F863 E864	R843-S855 PolarHBondContact N-O 2.9Å; R843-S855 PolarHBondContact O-N 3.5Å; S855-F863 CarbonylContact C-O 3.48Å; S855-F863 WeakPolarHBondContact CA-O 3.44Å; S855-E864 WeakPolarHBondContact OG-CG 3.43Å; S855-E864 PolarHBondContact OG-OE1 2.68Å
856	F	95.3	Very high	93.8	Very high	25 Å²	25	33 Å²	33	11%	0.11	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	160	177.1	64.7	-88.7	0	0	0	112.6	F841 I842 F854 V858 F863 R885 A890	F841-F856 CarbonylContact O-C 3.46Å; F841-F856 WeakPolarHBondContact O-CA 3.42Å; F841-F856 WeakPolarHBondContact O-CB 3.42Å; I842-F856 HydrophobicContact CG1-CB 4.48Å; F854-F856 HydrophobicContact CD1-CD1 4.23Å; F854-F856 HydrophobicContact CD1-CE1 4.4Å; F854-F856 AromaticContact CE1-CD1 3.6Å; F854-F856 HydrophobicContact CE1-CD1 3.6Å; F854-F856 AromaticContact CE1-CE1 3.79Å; F854-F856 HydrophobicContact CE1-CE1 3.79Å; F854-F856 HydrophobicContact CE2-CB 4.37Å; F854-F856 HydrophobicContact CE2-CD1 4.03Å; F854-F856 HydrophobicContact CZ-CB 4.37Å; F854-F856 AromaticContact CZ-CD1 3.48Å; F854-F856 HydrophobicContact CZ-CD1 3.48Å; F854-F856 VanDerWaalsContact CZ-CD1 3.48Å; F854-F856 HydrophobicContact CZ-CE1 4.11Å; F854-F856 HydrophobicContact CZ-CG 4.2Å; F856-V858 HydrophobicContact CD2-CG1 4.22Å; F856-F863 HydrophobicContact CE1-CB 4.38Å; F856-F863 AromaticContact CE1-CD1 3.74Å; F856-F863 HydrophobicContact CE1-CD1 3.74Å; F856-F863 HydrophobicContact CE2-CB 4.31Å; F856-F863 HydrophobicContact CZ-CB 4.14Å; F856-F863 AromaticContact CZ-CD1 3.8Å; F856-F863 HydrophobicContact CZ-CD1 3.8Å; F856-F863 HydrophobicContact CZ-CG 4.29Å; F856-F863 PolarHBondContact N-O 2.78Å; F856-F863 PolarHBondContact O-N 2.8Å; F856-R885 HydrophobicContact CE2-CG 4.41Å; F856-R885 HydrophobicContact CZ-CG 4.45Å; F856-A890 HydrophobicContact CE1-CB 3.5Å; F856-A890 HydrophobicContact CZ-CB 3.58Å
857	D	92.4	Very high	93.8	Very high	20 Å²	20	33 Å²	33	11%	0.107	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	139.4	166.7	-165.3	-13.3	0	0	0	108.5	D840 F841 G859 N860 G861	D840-D857 WeakPolarHBondContact CA-O 3.19Å; D840-D857 WeakPolarHBondContact CB-O 3.45Å; F841-D857 HydrophobicContact CD1-CB 3.72Å; F841-D857 HydrophobicContact CE1-CB 3.56Å; F841-D857 HydrophobicContact CZ-CB 4.41Å; F841-D857 PolarHBondContact N-O 3.31Å; F841-D857 VanDerWaalsContact N-O 3.09Å; F841-D857 PolarHBondContact O-N 2.82Å; D857-G859 PolarHBondContact OD1-N 3.1Å; D857-N860 PolarHBondContact OD1-N 2.83Å; D857-G861 WeakPolarHBondContact OD1-CA 3.06Å; D857-G861 PolarHBondContact OD1-N 3.32Å; D857-G861 VanDerWaalsContact OD2-C 3.22Å; D857-G861 VanDerWaalsContact OD2-CA 3.3Å; D857-G861 WeakPolarHBondContact OD2-CA 3.34Å
858	V	87	Confident	93.8	Very high	7 Å²	7	34 Å²	34	4%	0.042	20%	0.199	C	C	.	.	S	Bend	trans	-129.7	20.3	180	-63.6	0	0	0	0	111.2	F856 N860 H909 L912	F856-V858 HydrophobicContact CD2-CG1 4.22Å; V858-N860 WeakPolarHBondContact CG2-ND2 3.31Å; V858-H909 WeakPolarHBondContact CG2-O 3.17Å; V858-H909 WeakPolarHBondContact O-CB 3.49Å; V858-L912 HydrophobicContact CG1-CB 3.93Å; V858-L912 HydrophobicContact CG1-CD1 3.79Å; V858-L912 HydrophobicContact CG1-CG 4.43Å
859	G	80.9	Confident	93.8	Very high	30 Å²	30	33.2 Å²	33.2	31%	0.309	19%	0.193	S	C	.	.	S	Bend	trans	97.5	-4.2	-174.4	0	0	0	0	0	114.6	D840 D857	D840-G859 PolarHBondContact OD1-N 3.27Å; D857-G859 PolarHBondContact OD1-N 3.1Å
860	N	81.1	Confident	93.7	Very high	57 Å²	57	37.5 Å²	37.5	31%	0.305	22%	0.221	S	C	.	.	S	Bend	trans	-90.8	-3.5	174	-61.5	-49.9	0	0	0	112.9	D857 V858 G908 H909	D857-N860 PolarHBondContact OD1-N 2.83Å; V858-N860 WeakPolarHBondContact CG2-ND2 3.31Å; N860-G908 WeakPolarHBondContact OD1-CA 3.42Å; N860-H909 PolarHBondContact ND2-N 2.67Å; N860-H909 PolarHBondContact ND2-O 2.81Å; N860-H909 PolarHBondContact OD1-N 2.87Å
861	G	83.5	Confident	93.6	Very high	31 Å²	31	39.7 Å²	39.7	32%	0.32	24%	0.235	S	C	.	.			trans	98.6	160.9	-169.9	0	0	0	0	0	112.1	D857 F863	D857-G861 WeakPolarHBondContact OD1-CA 3.06Å; D857-G861 PolarHBondContact OD1-N 3.32Å; D857-G861 VanDerWaalsContact OD2-C 3.22Å; D857-G861 VanDerWaalsContact OD2-CA 3.3Å; D857-G861 WeakPolarHBondContact OD2-CA 3.34Å; G861-F863 PolarHBondContact O-N 3.04Å
862	P	90.1	Very high	93.5	Very high	98 Å²	98	44.2 Å²	44.2	64%	0.636	26%	0.255	S	S	*	.			trans	-68.2	131.7	-173.3	27.1	-34.9	0	0	0	111.3	F841	F841-P862 HydrophobicContact CE1-CB 4.15Å; F841-P862 HydrophobicContact CZ-CB 4.08Å
863	F	91.4	Very high	93.4	Very high	68 Å²	68	44.2 Å²	44.2	30%	0.298	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	149.5	177.5	-168.6	-97.8	0	0	0	111.3	S855 F856 G861 L865 Q902	S855-F863 CarbonylContact C-O 3.48Å; S855-F863 WeakPolarHBondContact CA-O 3.44Å; F856-F863 HydrophobicContact CE1-CB 4.38Å; F856-F863 AromaticContact CE1-CD1 3.74Å; F856-F863 HydrophobicContact CE1-CD1 3.74Å; F856-F863 HydrophobicContact CE2-CB 4.31Å; F856-F863 HydrophobicContact CZ-CB 4.14Å; F856-F863 AromaticContact CZ-CD1 3.8Å; F856-F863 HydrophobicContact CZ-CD1 3.8Å; F856-F863 HydrophobicContact CZ-CG 4.29Å; F856-F863 PolarHBondContact N-O 2.78Å; F856-F863 PolarHBondContact O-N 2.8Å; G861-F863 PolarHBondContact O-N 3.04Å; F863-L865 HydrophobicContact CD1-CG 4.38Å; F863-L865 HydrophobicContact CE1-CD1 4.42Å; F863-L865 HydrophobicContact CE1-CD2 3.73Å; F863-L865 HydrophobicContact CE1-CG 3.71Å; F863-L865 HydrophobicContact CZ-CD2 4.28Å; F863-Q902 HydrophobicContact CE1-CB 3.69Å; F863-Q902 HydrophobicContact CE1-CG 3.6Å; F863-Q902 HydrophobicContact CE2-CG 4Å; F863-Q902 HydrophobicContact CZ-CB 3.75Å; F863-Q902 HydrophobicContact CZ-CG 3.3Å
864	E	95.5	Very high	93.3	Very high	91 Å²	91	45.7 Å²	45.7	43%	0.425	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	138.6	-178.8	-51.9	-159.4	133.3	0	0	113	R847 T853 F854 S855	R847-E864 IonicContact CZ-OE1 2.71Å; R847-E864 IonicContact CZ-OE2 3.68Å; R847-E864 IonicContact NH1-OE1 3.7Å; R847-E864 IonicContact NH1-OE2 3.41Å; R847-E864 PolarHBondContact NH1-OE2 3.38Å; R847-E864 VanDerWaalsContact NH2-CD 3.31Å; R847-E864 IonicContact NH2-OE1 3.7Å; R847-E864 PolarHBondContact NH2-OE1 2.82Å; R847-E864 IonicContact NH2-OE2 2.73Å; R847-E864 PolarHBondContact NH2-OE2 3.45Å; T853-E864 HydrophobicContact CG2-CB 4.29Å; F854-E864 CarbonylContact O-C 3.5Å; F854-E864 WeakPolarHBondContact O-CA 3.47Å; S855-E864 WeakPolarHBondContact OG-CG 3.43Å; S855-E864 PolarHBondContact OG-OE1 2.68Å
865	L	97	Very high	93.1	Very high	14 Å²	14	49.2 Å²	49.2	7%	0.073	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	131.2	171.6	-70	171.4	0	0	0	109.5	T853 F854 F863 A890 L892 K900 Q902	T853-L865 CarbonylContact C-O 3.59Å; T853-L865 VanDerWaalsContact CA-O 3.27Å; T853-L865 WeakPolarHBondContact CA-O 3.15Å; T853-L865 WeakPolarHBondContact CG2-O 3.37Å; F854-L865 HydrophobicContact CB-CB 4.42Å; F854-L865 HydrophobicContact CD1-CD1 4.03Å; F854-L865 PolarHBondContact N-O 3.4Å; F854-L865 PolarHBondContact O-N 3.03Å; F863-L865 HydrophobicContact CD1-CG 4.38Å; F863-L865 HydrophobicContact CE1-CD1 4.42Å; F863-L865 HydrophobicContact CE1-CD2 3.73Å; F863-L865 HydrophobicContact CE1-CG 3.71Å; F863-L865 HydrophobicContact CZ-CD2 4.28Å; L865-A890 HydrophobicContact CD1-CB 3.84Å; L865-A890 WeakPolarHBondContact CD1-O 3.5Å; L865-L892 HydrophobicContact CB-CB 4.24Å; L865-L892 WeakPolarHBondContact O-CD2 3.21Å; L865-K900 HydrophobicContact CD2-CB 4.39Å; L865-Q902 HydrophobicContact CD2-CB 3.89Å
866	S	98	Very high	92.8	Very high	31 Å²	31	52.7 Å²	52.7	22%	0.217	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	127	179.2	-60.5	0	0	0	0	112.9	V852 T853	V852-S866 CarbonylContact O-C 3.1Å; V852-S866 VanDerWaalsContact O-CA 3.31Å; V852-S866 WeakPolarHBondContact O-CA 3.22Å; T853-S866 WeakPolarHBondContact CG2-OG 3.47Å; T853-S866 PolarHBondContact OG1-OG 3.01Å
867	V	98	Very high	92.7	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.018	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129.2	171	170.7	0	0	0	0	108.9	T851 V852 L892 V894 L897 K900	T851-V867 WeakPolarHBondContact CA-O 3.47Å; V852-V867 PolarHBondContact N-O 2.93Å; V852-V867 VanDerWaalsContact N-O 3.13Å; V852-V867 PolarHBondContact O-N 3.01Å; V867-L892 HydrophobicContact CB-CD2 4.23Å; V867-L892 HydrophobicContact CB-CG 4.46Å; V867-L892 HydrophobicContact CG2-CB 4.39Å; V867-L892 HydrophobicContact CG2-CD2 3.86Å; V867-L892 HydrophobicContact CG2-CG 3.73Å; V867-L892 WeakPolarHBondContact CG2-O 3.25Å; V867-V894 HydrophobicContact CB-CG2 4.05Å; V867-V894 HydrophobicContact CG1-CB 4.12Å; V867-V894 HydrophobicContact CG1-CG2 4.08Å; V867-V894 HydrophobicContact CG2-CG2 4.44Å; V867-L897 HydrophobicContact CG1-CB 4.17Å; V867-L897 HydrophobicContact CG1-CD1 3.76Å; V867-K900 HydrophobicContact CG2-CB 4.28Å; V867-K900 HydrophobicContact CG2-CG 3.78Å
868	H	97.3	Very high	92.7	Very high	124 Å²	124	54.3 Å²	54.3	57%	0.574	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	127	179.6	-63.8	75.4	0	0	0	109.4	T850 T851	T850-H868 CarbonylContact O-C 3.44Å; T850-H868 WeakPolarHBondContact O-CA 3.49Å; T851-H868 PolarHBondContact OG1-CD2 3.28Å; T851-H868 VanDerWaalsContact OG1-CD2 3.28Å
869	S	96.5	Very high	93.1	Very high	15 Å²	15	54.5 Å²	54.5	11%	0.105	31%	0.307	C	S	.	.			trans	-99.5	144.1	176.2	-179.6	0	0	0	0	111.4	T850 T871	T850-S869 PolarHBondContact O-N 3.37Å; S869-T871 WeakPolarHBondContact CB-O 3.08Å; S869-T871 PolarHBondContact O-N 3.14Å; S869-T871 PolarHBondContact OG-N 2.74Å; S869-T871 VanDerWaalsContact OG-N 3.16Å; S869-T871 PolarHBondContact OG-O 2.61Å; S869-T871 PolarHBondContact OG-OG1 3.16Å
870	P	95.4	Very high	93.8	Very high	119 Å²	119	55 Å²	55	77%	0.773	30%	0.301	S	S	*	.	S	Bend	trans	-68.2	-22.4	169.4	29.3	-35.3	0	0	0	112.7
871	T	95.1	Very high	94.6	Very high	86 Å²	86	52.3 Å²	52.3	53%	0.528	29%	0.287	S	S	.	.	S	Bend	trans	-110.4	158.9	175.9	58.3	0	0	0	0	110.5	S869	S869-T871 WeakPolarHBondContact CB-O 3.08Å; S869-T871 PolarHBondContact O-N 3.14Å; S869-T871 PolarHBondContact OG-N 2.74Å; S869-T871 VanDerWaalsContact OG-N 3.16Å; S869-T871 PolarHBondContact OG-O 2.61Å; S869-T871 PolarHBondContact OG-OG1 3.16Å
872	H	97.1	Very high	95.2	Very high	108 Å²	108	56.2 Å²	56.2	50%	0.5	29%	0.292	S	S	.	.			trans	-76.7	136	179.7	-64.2	67.7	0	0	0	110.6	P849 N874	P849-H872 VanDerWaalsContact CB-CD2 3.47Å; P849-H872 WeakPolarHBondContact CB-CD2 3.39Å; P849-H872 CarbonylContact O-C 3.58Å; P849-H872 WeakPolarHBondContact O-CA 3.23Å; H872-N874 VanDerWaalsContact C-N 3.28Å; H872-N874 VanDerWaalsContact CB-OD1 3.27Å; H872-N874 WeakPolarHBondContact CB-OD1 3.38Å
873	F	97.3	Very high	95.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	-80	-8.1	173.6	-68.1	-59	0	0	0	113.7	F823 L846 P849 T850 V852 D875 H879 V894 L897	F823-F873 HydrophobicContact CE2-CB 4.18Å; F823-F873 HydrophobicContact CZ-CB 3.9Å; F823-F873 HydrophobicContact CZ-CD1 4.45Å; F823-F873 HydrophobicContact CZ-CG 4.27Å; L846-F873 HydrophobicContact CD1-CB 4.05Å; L846-F873 HydrophobicContact CD1-CD2 4.23Å; P849-F873 PolarHBondContact O-N 3.32Å; T850-F873 WeakPolarHBondContact O-CE2 3.36Å; V852-F873 HydrophobicContact CG2-CD2 4.01Å; V852-F873 HydrophobicContact CG2-CE2 3.96Å; F873-D875 VanDerWaalsContact C-N 3.29Å; F873-H879 WeakPolarHBondContact CA-NE2 3.39Å; F873-H879 HydrophobicContact CD1-CB 4.44Å; F873-H879 AromaticContact CD1-CE1 3.76Å; F873-H879 AromaticContact CD1-CG 3.78Å; F873-H879 AromaticContact CD1-ND1 3.6Å; F873-H879 PolarHBondContact O-CD2 3.22Å; F873-H879 VanDerWaalsContact O-CD2 3.28Å; F873-H879 PolarHBondContact O-NE2 3.24Å; F873-V894 HydrophobicContact CD1-CG1 4.3Å; F873-V894 HydrophobicContact CE1-CB 4.36Å; F873-V894 HydrophobicContact CE1-CG1 3.48Å; F873-V894 VanDerWaalsContact CE1-CG1 3.48Å; F873-V894 HydrophobicContact CZ-CB 4.08Å; F873-V894 HydrophobicContact CZ-CG1 3.62Å; F873-L897 HydrophobicContact CE1-CD1 4.26Å; F873-L897 HydrophobicContact CZ-CD1 3.77Å
874	N	95.8	Very high	95.7	Very high	31 Å²	31	49 Å²	49	17%	0.166	25%	0.251	C	S	.	.			trans	-96.8	31.8	176	76.5	-30.7	0	0	0	112.2	T825 T826 A827 H872 N876	T825-N874 HydrophobicContact CG2-CB 4.06Å; T825-N874 CarbonylContact O-C 3.56Å; T825-N874 WeakPolarHBondContact O-CA 3.25Å; T826-N874 PolarHBondContact O-ND2 3.46Å; A827-N874 WeakPolarHBondContact O-CB 3.11Å; A827-N874 PolarHBondContact O-ND2 3.09Å; H872-N874 VanDerWaalsContact C-N 3.28Å; H872-N874 VanDerWaalsContact CB-OD1 3.27Å; H872-N874 WeakPolarHBondContact CB-OD1 3.38Å; N874-N876 PolarHBondContact O-N 3.16Å
875	D	93.8	Very high	95.7	Very high	75 Å²	75	45.3 Å²	45.3	40%	0.401	23%	0.233	S	C	.	.	S	Bend	trans	-83	9	-179.8	68.5	-2.7	0	0	0	113.4	F873 Q877 H879	F873-D875 VanDerWaalsContact C-N 3.29Å; D875-Q877 PolarHBondContact O-N 2.81Å; D875-Q877 WeakPolarHBondContact OD1-CA 2.96Å; D875-Q877 WeakPolarHBondContact OD1-CB 3.44Å; D875-Q877 WeakPolarHBondContact OD1-CG 3.39Å; D875-Q877 PolarHBondContact OD1-N 2.88Å; D875-H879 IonicContact OD1-CE1 3.61Å; D875-H879 IonicContact OD1-NE2 3.26Å; D875-H879 PolarHBondContact OD1-NE2 2.99Å; D875-H879 VanDerWaalsContact OD1-NE2 3.1Å; D875-H879 IonicContact OD2-NE2 3.94Å
876	N	91.4	Very high	95.4	Very high	74 Å²	74	44.7 Å²	44.7	40%	0.396	23%	0.23	S	C	.	.	S	Bend	trans	58	32.1	-174.2	-162.4	30.4	0	0	0	113.4	K824 T825 T826 N874	K824-N876 VanDerWaalsContact CD-O 3.28Å; K824-N876 WeakPolarHBondContact CD-O 3.14Å; K824-N876 VanDerWaalsContact CG-C 3.46Å; K824-N876 PolarHBondContact NZ-OD1 2.92Å; T825-N876 WeakPolarHBondContact O-CA 3.49Å; T825-N876 PolarHBondContact O-N 3.35Å; T825-N876 VanDerWaalsContact O-N 3.11Å; T826-N876 HydrophobicContact CG2-CB 3.8Å; N874-N876 PolarHBondContact O-N 3.16Å
877	Q	92.4	Very high	95	Very high	58 Å²	58	45.3 Å²	45.3	27%	0.271	23%	0.23	S	C	.	.	S	Bend	trans	-107.3	162.1	166.6	-56.9	-54.2	-43.5	0	0	112.1	K824 D875 H879 G965 S966	K824-Q877 WeakPolarHBondContact CA-O 3.36Å; K824-Q877 WeakPolarHBondContact CB-O 3.41Å; K824-Q877 WeakPolarHBondContact CG-O 3.49Å; D875-Q877 PolarHBondContact O-N 2.81Å; D875-Q877 WeakPolarHBondContact OD1-CA 2.96Å; D875-Q877 WeakPolarHBondContact OD1-CB 3.44Å; D875-Q877 WeakPolarHBondContact OD1-CG 3.39Å; D875-Q877 PolarHBondContact OD1-N 2.88Å; Q877-H879 PolarHBondContact O-CD2 3.37Å; Q877-G965 PolarHBondContact OE1-O 2.91Å; Q877-G965 VanDerWaalsContact OE1-O 3.08Å; Q877-S966 VanDerWaalsContact OE1-CA 3.24Å; Q877-S966 PolarHBondContact OE1-OG 3.31Å
878	W	92.2	Very high	94.6	Very high	20 Å²	20	47.1 Å²	47.1	8%	0.076	24%	0.237	C	C	.	.			trans	-76.7	122	174	-72.8	108.4	0	0	0	110.9	F822 F823 K824 C933 R935 C960 H963 S966	F822-W878 HydrophobicContact CB-CE3 3.71Å; F822-W878 HydrophobicContact CB-CZ3 4.12Å; F823-W878 WeakPolarHBondContact O-CA 3.01Å; K824-W878 HydrophobicContact CB-CD2 3.99Å; K824-W878 HydrophobicContact CB-CE3 3.81Å; K824-W878 HydrophobicContact CB-CZ3 4.09Å; K824-W878 HydrophobicContact CD-CD2 4.3Å; K824-W878 HydrophobicContact CD-CG 4.41Å; W878-C933 HydrophobicContact CH2-CB 3.49Å; W878-C933 VanDerWaalsContact CH2-CB 3.49Å; W878-C933 HydrophobicContact CZ2-CB 4.24Å; W878-C933 HydrophobicContact CZ3-CB 4.02Å; W878-R935 HydrophobicContact CH2-CB 3.67Å; W878-R935 HydrophobicContact CZ3-CB 3.73Å; W878-C960 HydrophobicContact CH2-CB 4.08Å; W878-C960 HydrophobicContact CZ2-CB 4.04Å; W878-H963 AromaticContact NE1-ND1 3.83Å; W878-S966 PolarHBondContact N-OG 2.85Å
879	H	95.2	Very high	94.5	Very high	12 Å²	12	43.5 Å²	43.5	6%	0.056	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	142.8	172.4	-63.5	-71.9	0	0	0	110.3	F822 F823 F873 D875 Q877 D895	F822-H879 CarbonylContact C-O 3.54Å; F822-H879 WeakPolarHBondContact CA-O 3.15Å; F823-H879 HydrophobicContact CD1-CB 3.99Å; F823-H879 HydrophobicContact CE1-CB 3.52Å; F823-H879 HydrophobicContact CE2-CB 4.39Å; F823-H879 HydrophobicContact CZ-CB 3.75Å; F823-H879 PolarHBondContact N-O 2.94Å; F823-H879 PolarHBondContact O-N 2.73Å; F873-H879 WeakPolarHBondContact CA-NE2 3.39Å; F873-H879 HydrophobicContact CD1-CB 4.44Å; F873-H879 AromaticContact CD1-CE1 3.76Å; F873-H879 AromaticContact CD1-CG 3.78Å; F873-H879 AromaticContact CD1-ND1 3.6Å; F873-H879 PolarHBondContact O-CD2 3.22Å; F873-H879 VanDerWaalsContact O-CD2 3.28Å; F873-H879 PolarHBondContact O-NE2 3.24Å; D875-H879 IonicContact OD1-CE1 3.61Å; D875-H879 IonicContact OD1-NE2 3.26Å; D875-H879 PolarHBondContact OD1-NE2 2.99Å; D875-H879 VanDerWaalsContact OD1-NE2 3.1Å; D875-H879 IonicContact OD2-NE2 3.94Å; Q877-H879 PolarHBondContact O-CD2 3.37Å; H879-D895 VanDerWaalsContact CA-OD1 3.25Å; H879-D895 WeakPolarHBondContact CA-OD1 3.33Å; H879-D895 IonicContact CE1-OD2 2.86Å; H879-D895 IonicContact CG-OD2 2.74Å; H879-D895 IonicContact ND1-OD1 3.86Å; H879-D895 IonicContact ND1-OD2 3.63Å; H879-D895 PolarHBondContact ND1-OD2 2.77Å
880	H	95.8	Very high	94.4	Very high	40 Å²	40	42.9 Å²	42.9	19%	0.185	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	122.9	-178.4	-174.2	-171.7	0	0	0	110.4	F821 F822 R882 V894 D895	F821-H880 PolarHBondContact O-CD2 2.76Å; F822-H880 HydrophobicContact CD1-CB 3.79Å; F822-H880 HydrophobicContact CE1-CB 3.57Å; F822-H880 AromaticContact CE1-CG 3.73Å; F822-H880 HydrophobicContact CZ-CB 4.2Å; F822-H880 AromaticContact CZ-CD2 4Å; F822-H880 AromaticContact CZ-CG 3.83Å; F822-H880 AromaticContact CZ-ND1 3.91Å; H880-R882 PolarHBondContact CE1-NE 3.1Å; H880-R882 PolarHBondContact CE1-NH2 3.4Å; H880-R882 PolarHBondContact NE2-NE 3.36Å; H880-V894 CarbonylContact O-C 3.55Å; H880-V894 VanDerWaalsContact O-CA 3.25Å; H880-V894 WeakPolarHBondContact O-CA 3.2Å; H880-D895 PolarHBondContact N-OD1 2.93Å; H880-D895 PolarHBondContact O-N 3.17Å
881	V	98.1	Very high	94.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	130.6	174.3	179.6	0	0	0	0	108.6	S820 F821 F823 I844 V852 V883 L892 V894	S820-V881 VanDerWaalsContact CA-O 3.31Å; S820-V881 WeakPolarHBondContact CA-O 3.32Å; F821-V881 HydrophobicContact CD1-CB 4.42Å; F821-V881 HydrophobicContact CE1-CB 3.98Å; F821-V881 HydrophobicContact CE1-CG1 3.99Å; F821-V881 HydrophobicContact CE2-CB 4.15Å; F821-V881 HydrophobicContact CE2-CG2 4.1Å; F821-V881 HydrophobicContact CZ-CB 3.83Å; F821-V881 HydrophobicContact CZ-CG1 4.02Å; F821-V881 HydrophobicContact CZ-CG2 4.04Å; F821-V881 PolarHBondContact N-O 2.85Å; F821-V881 PolarHBondContact O-N 2.75Å; F823-V881 HydrophobicContact CD1-CG2 3.73Å; F823-V881 HydrophobicContact CE1-CG2 3.6Å; I844-V881 HydrophobicContact CG2-CG1 4.23Å; V852-V881 HydrophobicContact CG1-CG2 4.42Å; V881-V883 HydrophobicContact CG1-CG2 4.06Å; V881-L892 HydrophobicContact CG1-CD1 3.97Å; V881-V894 HydrophobicContact CG2-CG1 4.32Å; V881-V894 HydrophobicContact CG2-CG2 4.31Å
882	R	96.5	Very high	94.6	Very high	113 Å²	113	34.1 Å²	34.1	43%	0.426	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	128.8	168.7	-67.8	-175.9	176.5	173.9	-0.8	109	H880 R893	H880-R882 PolarHBondContact CE1-NE 3.1Å; H880-R882 PolarHBondContact CE1-NH2 3.4Å; H880-R882 PolarHBondContact NE2-NE 3.36Å; R882-R893 HydrophobicContact CB-CB 4.46Å; R882-R893 PolarHBondContact N-O 2.84Å; R882-R893 PolarHBondContact O-N 2.8Å
883	V	96.7	Very high	94.6	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.012	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	136.8	178.5	169.9	0	0	0	0	108.1	D818 V819 I844 F854 V881 S891 L892	D818-V883 CarbonylContact C-O 3.49Å; D818-V883 WeakPolarHBondContact CA-O 3.44Å; V819-V883 HydrophobicContact CB-CB 4.36Å; V819-V883 PolarHBondContact N-O 2.93Å; V819-V883 PolarHBondContact O-N 3.28Å; I844-V883 HydrophobicContact CD1-CB 4.13Å; I844-V883 HydrophobicContact CD1-CG1 4.44Å; I844-V883 HydrophobicContact CD1-CG2 3.85Å; I844-V883 HydrophobicContact CG1-CG2 4.33Å; F854-V883 HydrophobicContact CB-CG2 4.19Å; F854-V883 HydrophobicContact CD1-CG1 3.45Å; F854-V883 VanDerWaalsContact CD1-CG1 3.45Å; F854-V883 HydrophobicContact CD1-CG2 4.46Å; F854-V883 HydrophobicContact CD2-CG1 3.65Å; F854-V883 HydrophobicContact CD2-CG2 4.47Å; F854-V883 HydrophobicContact CE1-CG1 3.34Å; F854-V883 HydrophobicContact CE2-CG1 3.53Å; F854-V883 HydrophobicContact CG-CG1 3.61Å; F854-V883 HydrophobicContact CG-CG2 4.15Å; F854-V883 HydrophobicContact CZ-CG1 3.39Å; V881-V883 HydrophobicContact CG1-CG2 4.06Å; V883-S891 WeakPolarHBondContact CA-O 3.5Å; V883-L892 HydrophobicContact CG2-CD1 3.45Å; V883-L892 VanDerWaalsContact CG2-CD1 3.45Å
884	E	95.2	Very high	94.7	Very high	13 Å²	13	33.2 Å²	33.2	6%	0.061	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	136.3	173.3	-171.1	-168.7	165.7	0	0	108.8	H588 A817 N886 A890 S891	H588-E884 WeakPolarHBondContact CB-OE1 3.32Å; H588-E884 IonicContact CD2-OE1 3.64Å; H588-E884 IonicContact CG-OE1 3.41Å; A817-E884 CarbonylContact O-C 3.53Å; A817-E884 WeakPolarHBondContact O-CA 3.46Å; E884-N886 PolarHBondContact OE1-ND2 3.33Å; E884-A890 CarbonylContact O-C 3.54Å; E884-A890 VanDerWaalsContact O-CA 3.28Å; E884-A890 WeakPolarHBondContact O-CA 3.45Å; E884-S891 PolarHBondContact N-O 3.26Å; E884-S891 VanDerWaalsContact N-O 3.08Å; E884-S891 PolarHBondContact O-N 3.12Å
885	R	94.4	Very high	94.7	Very high	13 Å²	13	34.1 Å²	34.1	5%	0.049	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	122.9	164.7	177	-88.5	178.2	-178.8	-1.2	107.7	E814 S816 A817 F854 F856 A890 V910	E814-R885 PolarHBondContact O-NH1 3.39Å; S816-R885 CarbonylContact C-O 3.59Å; S816-R885 VanDerWaalsContact CA-O 3.26Å; S816-R885 WeakPolarHBondContact CA-O 3.47Å; A817-R885 HydrophobicContact CB-CB 4.42Å; A817-R885 PolarHBondContact N-O 2.86Å; A817-R885 PolarHBondContact O-N 3.34Å; F854-R885 HydrophobicContact CE1-CB 4.42Å; F854-R885 HydrophobicContact CZ-CB 4.23Å; F856-R885 HydrophobicContact CE2-CG 4.41Å; F856-R885 HydrophobicContact CZ-CG 4.45Å; R885-A890 HydrophobicContact CB-CB 4.36Å; R885-A890 HydrophobicContact CG-CB 4.34Å; R885-V910 PolarHBondContact NH1-O 2.99Å; R885-V910 PolarHBondContact NH2-O 3.33Å
886	N	92	Very high	94.5	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.011	18%	0.175	C	C	.	.			trans	-128.5	-175.7	174.8	61.3	49.4	0	0	0	109.5	T586 E884 K888 E889	T586-N886 HydrophobicContact CG2-CB 4.06Å; E884-N886 PolarHBondContact OE1-ND2 3.33Å; N886-K888 PolarHBondContact O-N 3.37Å; N886-K888 WeakPolarHBondContact OD1-CA 3.45Å; N886-K888 WeakPolarHBondContact OD1-CB 3.35Å; N886-K888 PolarHBondContact OD1-N 3.11Å; N886-E889 PolarHBondContact N-O 3.37Å; N886-E889 PolarHBondContact OD1-N 3.4Å; N886-E889 PolarHBondContact OD1-O 3.13Å
887	M	88.2	Confident	94.8	Very high	44 Å²	44	36.5 Å²	36.5	22%	0.217	17%	0.166	C	C	.	.	S	Bend	trans	-68.2	-12.8	-178.7	-64.2	-173	-66.4	0	0	114.2	S559 F573 L815 A904 V910	S559-M887 WeakPolarHBondContact OG-CE 3.43Å; F573-M887 HydrophobicContact CZ-CB 4.5Å; F573-M887 HydrophobicContact CZ-CE 4.46Å; L815-M887 HydrophobicContact CB-CG 4.5Å; L815-M887 HydrophobicContact CB-SD 4.48Å; L815-M887 HydrophobicContact CD2-CG 4.41Å; L815-M887 HydrophobicContact CD2-SD 3.88Å; M887-A904 WeakPolarHBondContact O-CB 3.4Å; M887-V910 HydrophobicContact CG-CB 4.45Å
888	K	90.8	Very high	94.9	Very high	41 Å²	41	38.6 Å²	38.6	18%	0.178	19%	0.185	C	C	.	.	S	Bend	trans	-103.7	-36.6	-178.9	-71.4	-152	67.2	179.1	0	113.4	F573 A585 T586 N886 A903 A904	F573-K888 HydrophobicContact CD2-CD 4.17Å; F573-K888 HydrophobicContact CE1-CD 4.13Å; F573-K888 HydrophobicContact CE1-CG 3.69Å; F573-K888 HydrophobicContact CE2-CD 3.71Å; F573-K888 HydrophobicContact CE2-CG 3.88Å; F573-K888 HydrophobicContact CZ-CD 3.7Å; F573-K888 HydrophobicContact CZ-CG 3.32Å; F573-K888 VanDerWaalsContact O-CE 3.25Å; F573-K888 WeakPolarHBondContact O-CE 3.35Å; F573-K888 PolarHBondContact O-NZ 2.98Å; A585-K888 HydrophobicContact CB-CB 3.91Å; A585-K888 HydrophobicContact CB-CD 4.24Å; T586-K888 HydrophobicContact CG2-CG 4.3Å; N886-K888 PolarHBondContact O-N 3.37Å; N886-K888 WeakPolarHBondContact OD1-CA 3.45Å; N886-K888 WeakPolarHBondContact OD1-CB 3.35Å; N886-K888 PolarHBondContact OD1-N 3.11Å; K888-A903 WeakPolarHBondContact O-CA 3.11Å; K888-A904 WeakPolarHBondContact O-CB 3.29Å; K888-A904 PolarHBondContact O-N 2.83Å
889	E	94.1	Very high	95	Very high	47 Å²	47	40.6 Å²	40.6	22%	0.22	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	164.5	-173.4	61.3	-174.6	-147.5	0	0	112.9	A585 N886 I901 Q902	A585-E889 HydrophobicContact CB-CG 3.82Å; N886-E889 PolarHBondContact N-O 3.37Å; N886-E889 PolarHBondContact OD1-N 3.4Å; N886-E889 PolarHBondContact OD1-O 3.13Å; E889-I901 HydrophobicContact CB-CG2 3.98Å; E889-I901 VanDerWaalsContact CD-CG2 3.49Å; E889-I901 HydrophobicContact CG-CG2 4.17Å; E889-I901 WeakPolarHBondContact OE2-CG2 3.32Å; E889-Q902 CarbonylContact C-O 3.34Å; E889-Q902 WeakPolarHBondContact CA-O 3.17Å; E889-Q902 WeakPolarHBondContact CB-O 3.37Å
890	A	95.8	Very high	95.1	Very high	3 Å²	3	45 Å²	45	3%	0.025	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	139.2	165.1	0	0	0	0	0	109.1	F854 F856 L865 E884 R885 I901 Q902	F854-A890 HydrophobicContact CE1-CB 4.21Å; F856-A890 HydrophobicContact CE1-CB 3.5Å; F856-A890 HydrophobicContact CZ-CB 3.58Å; L865-A890 HydrophobicContact CD1-CB 3.84Å; L865-A890 WeakPolarHBondContact CD1-O 3.5Å; E884-A890 CarbonylContact O-C 3.54Å; E884-A890 VanDerWaalsContact O-CA 3.28Å; E884-A890 WeakPolarHBondContact O-CA 3.45Å; R885-A890 HydrophobicContact CB-CB 4.36Å; R885-A890 HydrophobicContact CG-CB 4.34Å; A890-I901 CarbonylContact O-C 3.54Å; A890-I901 WeakPolarHBondContact O-CA 3.3Å; A890-Q902 PolarHBondContact N-O 3.05Å; A890-Q902 PolarHBondContact O-N 2.92Å
891	S	96.5	Very high	95.1	Very high	20 Å²	20	47.5 Å²	47.5	14%	0.14	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	147.3	-178.3	82.6	0	0	0	0	112.7	V883 E884 K900	V883-S891 WeakPolarHBondContact CA-O 3.5Å; E884-S891 PolarHBondContact N-O 3.26Å; E884-S891 VanDerWaalsContact N-O 3.08Å; E884-S891 PolarHBondContact O-N 3.12Å; S891-K900 CarbonylContact C-O 3.57Å; S891-K900 WeakPolarHBondContact CA-O 3.34Å
892	L	98.1	Very high	94.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	126.2	171.7	169.9	65.7	0	0	0	109	V852 F854 L865 V867 V881 V883 V894 P899 K900	V852-L892 HydrophobicContact CG1-CD1 4.24Å; V852-L892 HydrophobicContact CG1-CD2 4.41Å; V852-L892 WeakPolarHBondContact O-CD2 3.34Å; F854-L892 HydrophobicContact CB-CB 4.24Å; F854-L892 HydrophobicContact CB-CD1 4.34Å; F854-L892 HydrophobicContact CB-CD2 4.05Å; F854-L892 HydrophobicContact CB-CG 4.43Å; L865-L892 HydrophobicContact CB-CB 4.24Å; L865-L892 WeakPolarHBondContact O-CD2 3.21Å; V867-L892 HydrophobicContact CB-CD2 4.23Å; V867-L892 HydrophobicContact CB-CG 4.46Å; V867-L892 HydrophobicContact CG2-CB 4.39Å; V867-L892 HydrophobicContact CG2-CD2 3.86Å; V867-L892 HydrophobicContact CG2-CG 3.73Å; V867-L892 WeakPolarHBondContact CG2-O 3.25Å; V881-L892 HydrophobicContact CG1-CD1 3.97Å; V883-L892 HydrophobicContact CG2-CD1 3.45Å; V883-L892 VanDerWaalsContact CG2-CD1 3.45Å; L892-V894 HydrophobicContact CD1-CG2 4.23Å; L892-P899 WeakPolarHBondContact O-CA 3.09Å; L892-K900 PolarHBondContact N-O 2.88Å; L892-K900 PolarHBondContact O-N 3.35Å
893	R	97.2	Very high	94.6	Very high	90 Å²	90	49.3 Å²	49.3	34%	0.34	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	138.5	172.9	-176.2	174.8	175.2	167.1	-0.9	109.9	R882 D895 E896 P899	R882-R893 HydrophobicContact CB-CB 4.46Å; R882-R893 PolarHBondContact N-O 2.84Å; R882-R893 PolarHBondContact O-N 2.8Å; R893-D895 PolarHBondContact NE-O 2.82Å; R893-D895 VanDerWaalsContact NE-O 3.12Å; R893-E896 IonicContact CZ-OE2 3.94Å; R893-E896 IonicContact NH2-OE2 3.99Å; R893-E896 PolarHBondContact NH2-OE2 3.44Å; R893-P899 HydrophobicContact CB-CB 4.18Å
894	V	98.1	Very high	94.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	122.9	172.9	-170.5	0	0	0	0	108.6	V852 V867 F873 H880 V881 L892 E896 L897	V852-V894 HydrophobicContact CB-CG2 3.87Å; V852-V894 HydrophobicContact CG1-CG2 4.03Å; V852-V894 HydrophobicContact CG2-CG2 4.12Å; V867-V894 HydrophobicContact CB-CG2 4.05Å; V867-V894 HydrophobicContact CG1-CB 4.12Å; V867-V894 HydrophobicContact CG1-CG2 4.08Å; V867-V894 HydrophobicContact CG2-CG2 4.44Å; F873-V894 HydrophobicContact CD1-CG1 4.3Å; F873-V894 HydrophobicContact CE1-CB 4.36Å; F873-V894 HydrophobicContact CE1-CG1 3.48Å; F873-V894 VanDerWaalsContact CE1-CG1 3.48Å; F873-V894 HydrophobicContact CZ-CB 4.08Å; F873-V894 HydrophobicContact CZ-CG1 3.62Å; H880-V894 CarbonylContact O-C 3.55Å; H880-V894 VanDerWaalsContact O-CA 3.25Å; H880-V894 WeakPolarHBondContact O-CA 3.2Å; V881-V894 HydrophobicContact CG2-CG1 4.32Å; V881-V894 HydrophobicContact CG2-CG2 4.31Å; L892-V894 HydrophobicContact CD1-CG2 4.23Å; V894-E896 PolarHBondContact O-N 2.87Å; V894-L897 VanDerWaalsContact O-CB 3.26Å; V894-L897 WeakPolarHBondContact O-CB 3.32Å; V894-L897 WeakPolarHBondContact O-CG 3.49Å; V894-L897 PolarHBondContact O-N 2.86Å; V894-L897 VanDerWaalsContact O-N 3.09Å
895	D	95.2	Very high	93.7	Very high	50 Å²	50	53.9 Å²	53.9	27%	0.267	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	-132.6	-173.4	-57.6	-35.4	0	0	0	112	H879 H880 R893	H879-D895 VanDerWaalsContact CA-OD1 3.25Å; H879-D895 WeakPolarHBondContact CA-OD1 3.33Å; H879-D895 IonicContact CE1-OD2 2.86Å; H879-D895 IonicContact CG-OD2 2.74Å; H879-D895 IonicContact ND1-OD1 3.86Å; H879-D895 IonicContact ND1-OD2 3.63Å; H879-D895 PolarHBondContact ND1-OD2 2.77Å; H880-D895 PolarHBondContact N-OD1 2.93Å; H880-D895 PolarHBondContact O-N 3.17Å; R893-D895 PolarHBondContact NE-O 2.82Å; R893-D895 VanDerWaalsContact NE-O 3.12Å
896	E	90.7	Very high	92.8	Very high	160 Å²	160	57.2 Å²	57.2	75%	0.748	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	15	176.1	-56.9	-57.5	163.6	0	0	112.9	R893 V894	R893-E896 IonicContact CZ-OE2 3.94Å; R893-E896 IonicContact NH2-OE2 3.99Å; R893-E896 PolarHBondContact NH2-OE2 3.44Å; V894-E896 PolarHBondContact O-N 2.87Å
897	L	96.8	Very high	92	Very high	38 Å²	38	60.4 Å²	60.4	20%	0.199	33%	0.33	C	S	.	.	S	Bend	trans	-71.1	150.4	175.1	-60.2	174.2	0	0	0	110.5	V867 F873 V894	V867-L897 HydrophobicContact CG1-CB 4.17Å; V867-L897 HydrophobicContact CG1-CD1 3.76Å; F873-L897 HydrophobicContact CE1-CD1 4.26Å; F873-L897 HydrophobicContact CZ-CD1 3.77Å; V894-L897 VanDerWaalsContact O-CB 3.26Å; V894-L897 WeakPolarHBondContact O-CB 3.32Å; V894-L897 WeakPolarHBondContact O-CG 3.49Å; V894-L897 PolarHBondContact O-N 2.86Å; V894-L897 VanDerWaalsContact O-N 3.09Å
898	P	95.9	Very high	91.5	Very high	103 Å²	103	58.6 Å²	58.6	67%	0.669	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-55.3	129.6	176.5	-25.3	34.2	0	0	0	111.4
899	P	94.7	Very high	91.1	Very high	62 Å²	62	58.6 Å²	58.6	40%	0.403	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-65.4	147.9	179.8	28.2	-34.9	0	0	0	110.8	L892 R893 I901	L892-P899 WeakPolarHBondContact O-CA 3.09Å; R893-P899 HydrophobicContact CB-CB 4.18Å; P899-I901 HydrophobicContact CB-CG1 4.4Å; P899-I901 HydrophobicContact CG-CD1 4.35Å
900	K	96.9	Very high	90.5	Very high	104 Å²	104	58 Å²	58	45%	0.452	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	122.7	167.5	-68.3	-65.2	-176.8	-177.3	0	108.4	L865 V867 S891 L892	L865-K900 HydrophobicContact CD2-CB 4.39Å; V867-K900 HydrophobicContact CG2-CB 4.28Å; V867-K900 HydrophobicContact CG2-CG 3.78Å; S891-K900 CarbonylContact C-O 3.57Å; S891-K900 WeakPolarHBondContact CA-O 3.34Å; L892-K900 PolarHBondContact N-O 2.88Å; L892-K900 PolarHBondContact O-N 3.35Å
901	I	95.3	Very high	90.1	Very high	92 Å²	92	60 Å²	60	47%	0.472	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	137.1	-176.7	-58.7	164.7	0	0	0	108.4	E889 A890 P899	E889-I901 HydrophobicContact CB-CG2 3.98Å; E889-I901 VanDerWaalsContact CD-CG2 3.49Å; E889-I901 HydrophobicContact CG-CG2 4.17Å; E889-I901 WeakPolarHBondContact OE2-CG2 3.32Å; A890-I901 CarbonylContact O-C 3.54Å; A890-I901 WeakPolarHBondContact O-CA 3.3Å; P899-I901 HydrophobicContact CB-CG1 4.4Å; P899-I901 HydrophobicContact CG-CD1 4.35Å
902	Q	92.3	Very high	89.7	Confident	86 Å²	86	59.3 Å²	59.3	40%	0.402	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	129.9	173	173.7	68.5	47.2	0	0	109.8	F863 L865 E889 A890	F863-Q902 HydrophobicContact CE1-CB 3.69Å; F863-Q902 HydrophobicContact CE1-CG 3.6Å; F863-Q902 HydrophobicContact CE2-CG 4Å; F863-Q902 HydrophobicContact CZ-CB 3.75Å; F863-Q902 HydrophobicContact CZ-CG 3.3Å; L865-Q902 HydrophobicContact CD2-CB 3.89Å; E889-Q902 CarbonylContact C-O 3.34Å; E889-Q902 WeakPolarHBondContact CA-O 3.17Å; E889-Q902 WeakPolarHBondContact CB-O 3.37Å; A890-Q902 PolarHBondContact N-O 3.05Å; A890-Q902 PolarHBondContact O-N 2.92Å
903	A	92.2	Very high	89.2	Confident	66 Å²	66	64.1 Å²	64.1	55%	0.545	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	137.9	172.6	0	0	0	0	0	111.8	K888	K888-A903 WeakPolarHBondContact O-CA 3.11Å
904	A	88.6	Confident	89	Confident	34 Å²	34	61 Å²	61	28%	0.281	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-69.3	147.9	173.2	0	0	0	0	0	110.9	M887 K888 T906	M887-A904 WeakPolarHBondContact O-CB 3.4Å; K888-A904 WeakPolarHBondContact O-CB 3.29Å; K888-A904 PolarHBondContact O-N 2.83Å; A904-T906 PolarHBondContact O-N 3.21Å
905	P	84.6	Confident	88.6	Confident	76 Å²	76	65.7 Å²	65.7	49%	0.494	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-59.4	135	172.7	-20.9	32.6	0	0	0	111	D907 G908	P905-D907 PolarHBondContact O-N 3.2Å; P905-D907 VanDerWaalsContact O-N 3.12Å; P905-G908 PolarHBondContact O-N 3Å
906	T	75.6	Confident	88.4	Confident	84 Å²	84	64.5 Å²	64.5	52%	0.515	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-27	-171.4	-40.6	0	0	0	0	114.4	S571 A904	S571-T906 WeakPolarHBondContact O-CG2 3.47Å; A904-T906 PolarHBondContact O-N 3.21Å
907	D	73.7	Confident	88.5	Confident	69 Å²	69	61.6 Å²	61.6	37%	0.369	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.5	18.5	-170.8	-68.3	-40.8	0	0	0	111.5	S130 I131 W132 R554 P905	S130-D907 PolarHBondContact OG-O 3.27Å; I131-D907 HydrophobicContact CB-CB 4Å; I131-D907 VanDerWaalsContact CD1-OD1 3.27Å; I131-D907 WeakPolarHBondContact CD1-OD1 3.41Å; I131-D907 HydrophobicContact CG1-CB 4.31Å; W132-D907 PolarHBondContact N-O 2.77Å; R554-D907 IonicContact NH2-OD1 3.83Å; R554-D907 PolarHBondContact NH2-OD1 2.93Å; P905-D907 PolarHBondContact O-N 3.2Å; P905-D907 VanDerWaalsContact O-N 3.12Å
908	G	79.3	Confident	88.5	Confident	6 Å²	6	59.8 Å²	59.8	6%	0.062	34%	0.338	C	S	.	.	S	Bend	trans	-85.5	178.1	179.6	0	0	0	0	0	112.8	N860 P905 V910	N860-G908 WeakPolarHBondContact OD1-CA 3.42Å; P905-G908 PolarHBondContact O-N 3Å; G908-V910 PolarHBondContact O-N 3Å
909	H	81.6	Confident	88.5	Confident	41 Å²	41	56 Å²	56	19%	0.19	31%	0.311	C	S	.	.			trans	-63.9	135	172.5	-67.9	-81.6	0	0	0	111	W132 V858 N860	W132-H909 AromaticContact CE3-CD2 3.99Å; W132-H909 AromaticContact CE3-NE2 3.49Å; V858-H909 WeakPolarHBondContact CG2-O 3.17Å; V858-H909 WeakPolarHBondContact O-CB 3.49Å; N860-H909 PolarHBondContact ND2-N 2.67Å; N860-H909 PolarHBondContact ND2-O 2.81Å; N860-H909 PolarHBondContact OD1-N 2.87Å
910	V	82.3	Confident	88.6	Confident	35 Å²	35	53.1 Å²	53.1	21%	0.212	29%	0.292	C	S	.	.			trans	-117.8	-13	-176.4	-62.9	0	0	0	0	113.8	L815 R885 M887 G908	L815-V910 HydrophobicContact CD2-CG2 4.35Å; R885-V910 PolarHBondContact NH1-O 2.99Å; R885-V910 PolarHBondContact NH2-O 3.33Å; M887-V910 HydrophobicContact CG-CB 4.45Å; G908-V910 PolarHBondContact O-N 3Å
911	L	87	Confident	88.6	Confident	44 Å²	44	48.1 Å²	48.1	23%	0.23	27%	0.27	C	S	.	.			trans	-91.4	120.5	179.5	-71.1	167.6	0	0	0	110.8	E128 E814 L815 Q913	E128-L911 HydrophobicContact CB-CD1 3.65Å; E128-L911 HydrophobicContact CG-CD1 3.55Å; E814-L911 HydrophobicContact CB-CD2 3.85Å; E814-L911 CarbonylContact O-C 3.49Å; E814-L911 WeakPolarHBondContact O-CA 3.49Å; L815-L911 HydrophobicContact CD2-CD2 3.51Å; L815-L911 HydrophobicContact CD2-CG 4.31Å; L815-L911 HydrophobicContact CG-CD2 4.05Å; L911-Q913 HydrophobicContact CB-CG 4.49Å; L911-Q913 PolarHBondContact O-N 3.31Å
912	L	88.6	Confident	88.3	Confident	5 Å²	5	43.9 Å²	43.9	3%	0.026	25%	0.249	C	C	.	.			trans	-82.4	104.8	172	174.7	63.6	0	0	0	109.9	E814 A817 D840 V858 L914	E814-L912 PolarHBondContact O-N 3.5Å; A817-L912 HydrophobicContact CB-CD2 4.33Å; D840-L912 HydrophobicContact CB-CD1 4.16Å; V858-L912 HydrophobicContact CG1-CB 3.93Å; V858-L912 HydrophobicContact CG1-CD1 3.79Å; V858-L912 HydrophobicContact CG1-CG 4.43Å; L912-L914 HydrophobicContact CD1-CD1 4.46Å; L912-L914 HydrophobicContact CD1-CD2 4.07Å; L912-L914 HydrophobicContact CD1-CG 4.12Å; L912-L914 HydrophobicContact CD2-CD1 3.94Å; L912-L914 HydrophobicContact CD2-CG 4.41Å; L912-L914 HydrophobicContact CG-CD1 4.04Å; L912-L914 HydrophobicContact CG-CD2 4.46Å; L912-L914 HydrophobicContact CG-CG 3.95Å
913	Q	87.5	Confident	88.2	Confident	102 Å²	102	40 Å²	40	48%	0.477	23%	0.231	S	C	.	.			trans	-99.7	91.5	-175.1	-65.9	-175.4	-14.7	0	0	112.6	E128 G837 D840 L911	E128-Q913 PolarHBondContact OE1-NE2 2.77Å; G837-Q913 WeakPolarHBondContact CA-O 3.49Å; D840-Q913 PolarHBondContact OD2-N 3.24Å; L911-Q913 HydrophobicContact CB-CG 4.49Å; L911-Q913 PolarHBondContact O-N 3.31Å
914	L	91.9	Very high	87.8	Confident	25 Å²	25	39.1 Å²	39.1	13%	0.131	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-96.9	145.2	178.2	-60.7	170.9	0	0	0	111.4	T810 F811 N835 I842 L912	T810-L914 HydrophobicContact CG2-CB 3.73Å; F811-L914 HydrophobicContact CB-CD1 4.26Å; F811-L914 HydrophobicContact CD1-CD1 4.41Å; N835-L914 HydrophobicContact CB-CD1 3.82Å; N835-L914 HydrophobicContact CB-CD2 4.17Å; N835-L914 HydrophobicContact CB-CG 4.46Å; I842-L914 HydrophobicContact CG2-CD1 4.08Å; L912-L914 HydrophobicContact CD1-CD1 4.46Å; L912-L914 HydrophobicContact CD1-CD2 4.07Å; L912-L914 HydrophobicContact CD1-CG 4.12Å; L912-L914 HydrophobicContact CD2-CD1 3.94Å; L912-L914 HydrophobicContact CD2-CG 4.41Å; L912-L914 HydrophobicContact CG-CD1 4.04Å; L912-L914 HydrophobicContact CG-CD2 4.46Å; L912-L914 HydrophobicContact CG-CG 3.95Å
915	N	89.4	Confident	87.6	Confident	98 Å²	98	42.1 Å²	42.1	52%	0.524	24%	0.238	S	C	.	.			trans	-141.2	-3.5	-178.5	67.1	6.7	0	0	0	114.7	L836 G837 I838	L836-N915 PolarHBondContact O-N 2.96Å; L836-N915 PolarHBondContact O-OD1 2.86Å; G837-N915 VanDerWaalsContact CA-OD1 3.32Å; G837-N915 WeakPolarHBondContact CA-OD1 3.44Å; I838-N915 WeakPolarHBondContact CG1-ND2 3.31Å
916	S	91.9	Very high	87.5	Confident	24 Å²	24	45.5 Å²	45.5	17%	0.168	24%	0.241	C	C	.	.	S	Bend	trans	-89.7	165.4	172	82.3	0	0	0	0	111.9	T810 N835 L836	T810-S916 WeakPolarHBondContact CA-O 3.39Å; T810-S916 WeakPolarHBondContact CB-O 3.48Å; T810-S916 WeakPolarHBondContact CG2-O 3.26Å; T810-S916 PolarHBondContact OG1-O 3.47Å; N835-S916 PolarHBondContact ND2-O 2.83Å; N835-S916 PolarHBondContact ND2-OG 2.86Å; L836-S916 PolarHBondContact N-OG 2.97Å; L836-S916 WeakPolarHBondContact O-CB 3.18Å; L836-S916 PolarHBondContact O-N 3.32Å; L836-S916 PolarHBondContact O-OG 3.04Å
917	Q	93.4	Very high	87.9	Confident	100 Å²	100	47.9 Å²	47.9	47%	0.467	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-59.5	151.6	160.5	-69.7	-177.2	-31	0	0	110.1	F808 F919	F808-Q917 WeakPolarHBondContact O-CA 3.43Å; F808-Q917 WeakPolarHBondContact O-CB 3.25Å; Q917-F919 WeakPolarHBondContact O-CD2 3.31Å; Q917-F919 WeakPolarHBondContact O-CE2 3.3Å
918	L	96.3	Very high	88.5	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	125.1	172.8	178.2	71.7	0	0	0	109.7	H807 F808 P809 F811 L833 N835 V920 L939 L944	H807-L918 CarbonylContact C-O 3.54Å; H807-L918 WeakPolarHBondContact CA-O 3.17Å; F808-L918 HydrophobicContact CB-CB 4.15Å; F808-L918 HydrophobicContact CB-CD2 4.18Å; F808-L918 PolarHBondContact N-O 3.46Å; F808-L918 PolarHBondContact O-N 2.91Å; P809-L918 WeakPolarHBondContact O-CB 3.5Å; F811-L918 HydrophobicContact CB-CD1 4.43Å; L833-L918 HydrophobicContact CD1-CD1 3.86Å; L833-L918 HydrophobicContact CD1-CD2 4.07Å; L833-L918 HydrophobicContact CD1-CG 4.3Å; L833-L918 HydrophobicContact CD2-CD1 3.68Å; L833-L918 HydrophobicContact CG-CD1 3.62Å; L833-L918 HydrophobicContact CG-CG 4.35Å; N835-L918 HydrophobicContact CB-CD1 3.73Å; L918-V920 HydrophobicContact CD2-CG2 4.21Å; L918-V920 HydrophobicContact CG-CG2 4.27Å; L918-L939 HydrophobicContact CD2-CD1 3.42Å; L918-L939 VanDerWaalsContact CD2-CD1 3.42Å; L918-L944 HydrophobicContact CD2-CD1 3.83Å
919	F	96.1	Very high	88.9	Confident	23 Å²	23	52.8 Å²	52.8	10%	0.101	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	131.6	174.6	-61.9	-92.6	0	0	0	110.1	Y805 L833 E834 Q917 G922 A924	Y805-F919 AromaticContact CD2-CD1 3.61Å; Y805-F919 HydrophobicContact CD2-CD1 3.61Å; Y805-F919 HydrophobicContact CD2-CE1 4.16Å; Y805-F919 AromaticContact CE2-CD1 3.68Å; Y805-F919 HydrophobicContact CE2-CD1 3.68Å; Y805-F919 AromaticContact CE2-CE1 3.72Å; Y805-F919 HydrophobicContact CE2-CE1 3.72Å; Y805-F919 HydrophobicContact CG-CD1 4.35Å; L833-F919 CarbonylContact C-O 3.56Å; L833-F919 VanDerWaalsContact CA-O 3.25Å; L833-F919 WeakPolarHBondContact CA-O 3.49Å; E834-F919 HydrophobicContact CB-CB 4.45Å; E834-F919 PolarHBondContact N-O 2.8Å; E834-F919 PolarHBondContact O-N 3.27Å; Q917-F919 WeakPolarHBondContact O-CD2 3.31Å; Q917-F919 WeakPolarHBondContact O-CE2 3.3Å; F919-G922 WeakPolarHBondContact CB-O 3.26Å; F919-A924 HydrophobicContact CD2-CB 4.39Å; F919-A924 HydrophobicContact CE1-CB 4.37Å; F919-A924 HydrophobicContact CE2-CB 3.8Å; F919-A924 HydrophobicContact CZ-CB 3.8Å
920	V	97.2	Very high	89.6	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.006	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.9	177.3	178.7	0	0	0	0	109.2	F799 Y805 L806 F808 F832 L833 L918 G922 I934 L937 L946	F799-V920 WeakPolarHBondContact CE1-O 3.4Å; F799-V920 HydrophobicContact CZ-CG1 4.2Å; Y805-V920 CarbonylContact C-O 3.57Å; Y805-V920 VanDerWaalsContact CA-O 3.32Å; Y805-V920 WeakPolarHBondContact CA-O 3.5Å; L806-V920 HydrophobicContact CB-CB 4.33Å; L806-V920 PolarHBondContact N-O 3.31Å; L806-V920 PolarHBondContact O-N 3.31Å; F808-V920 HydrophobicContact CD2-CG2 3.88Å; F808-V920 HydrophobicContact CE2-CB 4.43Å; F808-V920 HydrophobicContact CE2-CG2 4.06Å; F832-V920 CarbonylContact O-C 3.5Å; F832-V920 WeakPolarHBondContact O-CA 3.27Å; L833-V920 HydrophobicContact CD1-CG2 4.3Å; L918-V920 HydrophobicContact CD2-CG2 4.21Å; L918-V920 HydrophobicContact CG-CG2 4.27Å; V920-G922 VanDerWaalsContact C-N 3.26Å; V920-G922 PolarHBondContact O-N 2.68Å; V920-I934 HydrophobicContact CG1-CD1 3.96Å; V920-L937 HydrophobicContact CB-CD2 4.41Å; V920-L937 HydrophobicContact CG1-CD2 3.8Å; V920-L937 HydrophobicContact CG2-CD2 3.68Å; V920-L946 HydrophobicContact CG1-CD2 4.4Å
921	G	95.2	Very high	90.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	76	8.4	-175	0	0	0	0	0	114.6	V831 F832 F930	V831-G921 CarbonylContact O-C 3.49Å; V831-G921 VanDerWaalsContact O-C 3.29Å; V831-G921 WeakPolarHBondContact O-CA 3.25Å; F832-G921 PolarHBondContact O-N 3.36Å; G921-F930 PolarHBondContact O-N 3.24Å
922	G	90.6	Very high	90.6	Very high	2 Å²	2	50.2 Å²	50.2	2%	0.021	25%	0.251	C	S	.	.	S	Bend	trans	-172.4	-168.4	177.3	0	0	0	0	0	113.2	V831 F919 V920	V831-G922 PolarHBondContact O-N 3.4Å; F919-G922 WeakPolarHBondContact CB-O 3.26Å; V920-G922 VanDerWaalsContact C-N 3.26Å; V920-G922 PolarHBondContact O-N 2.68Å
923	T	89.8	Confident	90.9	Very high	6 Å²	6	50.5 Å²	50.5	4%	0.037	25%	0.253	C	S	.	.			trans	-124.6	163	-174.5	59.1	0	0	0	0	110.9	V831 E834 T925 R926 Q927	V831-T923 HydrophobicContact CB-CG2 3.86Å; V831-T923 HydrophobicContact CG1-CG2 3.94Å; V831-T923 HydrophobicContact CG2-CG2 3.65Å; E834-T923 VanDerWaalsContact OE1-CA 3.3Å; E834-T923 WeakPolarHBondContact OE1-CA 3.49Å; E834-T923 WeakPolarHBondContact OE1-CB 3.39Å; T923-T925 PolarHBondContact O-N 3.49Å; T923-T925 PolarHBondContact OG1-OG1 2.82Å; T923-R926 PolarHBondContact O-N 3.42Å; T923-R926 PolarHBondContact OG1-N 3.43Å; T923-Q927 WeakPolarHBondContact CG2-O 3.39Å; T923-Q927 PolarHBondContact OG1-N 2.83Å; T923-Q927 PolarHBondContact OG1-O 3Å
924	A	83.5	Confident	91.3	Very high	46 Å²	46	45.7 Å²	45.7	38%	0.38	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-30.2	173.8	0	0	0	0	0	112.8	E834 L836 F919	E834-A924 PolarHBondContact OE1-N 2.92Å; L836-A924 HydrophobicContact CD1-CB 4.08Å; F919-A924 HydrophobicContact CD2-CB 4.39Å; F919-A924 HydrophobicContact CE1-CB 4.37Å; F919-A924 HydrophobicContact CE2-CB 3.8Å; F919-A924 HydrophobicContact CZ-CB 3.8Å
925	T	84.9	Confident	91.5	Very high	97 Å²	97	44.5 Å²	44.5	60%	0.595	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-3.4	179.9	60.9	0	0	0	0	113.8	T923 Q927	T923-T925 PolarHBondContact O-N 3.49Å; T923-T925 PolarHBondContact OG1-OG1 2.82Å; T925-Q927 PolarHBondContact O-N 3.17Å
926	R	82.6	Confident	91.7	Very high	148 Å²	148	40 Å²	40	56%	0.558	20%	0.2	S	C	*	.			trans	55.8	31.2	-174.9	-54.7	-177.1	176.7	-141.7	-5.8	113.5	Y805 T923	Y805-R926 HydrophobicContact CD1-CG 4.49Å; Y805-R926 HydrophobicContact CE1-CG 3.94Å; Y805-R926 PolarHBondContact OH-NH2 2.86Å; T923-R926 PolarHBondContact O-N 3.42Å; T923-R926 PolarHBondContact OG1-N 3.43Å
927	Q	83.3	Confident	91.9	Very high	134 Å²	134	39 Å²	39	63%	0.626	19%	0.193	S	C	*	.			trans	-111.1	145.1	173.6	-65.5	-178.5	-7.2	0	0	109.2	T923 T925 G929	T923-Q927 WeakPolarHBondContact CG2-O 3.39Å; T923-Q927 PolarHBondContact OG1-N 2.83Å; T923-Q927 PolarHBondContact OG1-O 3Å; T925-Q927 PolarHBondContact O-N 3.17Å; Q927-G929 VanDerWaalsContact C-N 3.28Å; Q927-G929 PolarHBondContact O-N 2.84Å
928	R	85.5	Confident	91.9	Very high	174 Å²	174	34.9 Å²	34.9	66%	0.657	17%	0.174	S	C	*	.	S	Bend	trans	58.8	35.1	178.3	-53.1	178.7	175.9	-178	-1.4	113.7	V831	V831-R928 HydrophobicContact CG2-CB 4.38Å; V831-R928 PolarHBondContact N-O 2.78Å
929	G	88.8	Confident	91.7	Very high	3 Å²	3	35.5 Å²	35.5	3%	0.031	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-61.8	149	175.1	0	0	0	0	0	111.7	E802 Q927	E802-G929 WeakPolarHBondContact O-CA 3.35Å; E802-G929 PolarHBondContact O-N 2.66Å; Q927-G929 VanDerWaalsContact C-N 3.28Å; Q927-G929 PolarHBondContact O-N 2.84Å
930	F	95.3	Very high	91.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.182	C	C	.	.			trans	-76.2	133.6	179.6	173.5	-104.1	0	0	0	110.5	F799 F823 T825 V831 F832 G921 G932 I934	F799-F930 HydrophobicContact CB-CD1 4.49Å; F799-F930 WeakPolarHBondContact CB-O 3.46Å; F799-F930 AromaticContact CD2-CD1 3.96Å; F799-F930 HydrophobicContact CD2-CD1 3.96Å; F799-F930 HydrophobicContact CD2-CE1 4.35Å; F799-F930 HydrophobicContact CG-CD1 4.39Å; F823-F930 HydrophobicContact CB-CZ 4.13Å; F823-F930 HydrophobicContact CD2-CE2 4.25Å; F823-F930 HydrophobicContact CD2-CZ 4.32Å; T825-F930 HydrophobicContact CG2-CE2 4.03Å; V831-F930 VanDerWaalsContact O-CB 3.27Å; V831-F930 WeakPolarHBondContact O-CB 3.41Å; F832-F930 AromaticContact CD1-CD2 3.76Å; F832-F930 HydrophobicContact CD1-CD2 3.76Å; F832-F930 AromaticContact CD1-CE2 3.9Å; F832-F930 HydrophobicContact CD1-CE2 3.9Å; F832-F930 HydrophobicContact CD1-CG 4.11Å; F832-F930 HydrophobicContact CD1-CZ 4.32Å; F832-F930 AromaticContact CE1-CD2 3.57Å; F832-F930 HydrophobicContact CE1-CD2 3.57Å; F832-F930 AromaticContact CE1-CE2 3.33Å; F832-F930 HydrophobicContact CE1-CE2 3.33Å; F832-F930 HydrophobicContact CE1-CG 4.35Å; F832-F930 AromaticContact CE1-CZ 3.92Å; F832-F930 HydrophobicContact CE1-CZ 3.92Å; F832-F930 HydrophobicContact CZ-CE2 4.33Å; G921-F930 PolarHBondContact O-N 3.24Å; F930-G932 VanDerWaalsContact CE1-C 3.48Å; F930-I934 HydrophobicContact CD1-CD1 4Å; F930-I934 HydrophobicContact CD1-CG1 3.93Å; F930-I934 HydrophobicContact CE1-CD1 4.25Å; F930-I934 HydrophobicContact CE1-CG1 3.67Å; F930-I934 HydrophobicContact CZ-CG1 4.5Å
931	L	95.2	Very high	90.6	Very high	46 Å²	46	36.8 Å²	36.8	24%	0.241	19%	0.188	C	C	.	.			trans	-108.5	126.6	170.5	-69.6	176.7	0	0	0	108.8	T801 E802 T825 A827	T801-L931 VanDerWaalsContact CA-CD2 3.43Å; E802-L931 HydrophobicContact CG-CD1 3.61Å; E802-L931 HydrophobicContact CG-CD2 4.14Å; E802-L931 HydrophobicContact CG-CG 3.79Å; T825-L931 WeakPolarHBondContact CB-O 3.49Å; T825-L931 PolarHBondContact OG1-O 3.03Å; A827-L931 HydrophobicContact CB-CB 4.01Å
932	G	94.7	Very high	90.2	Very high	21 Å²	21	43.7 Å²	43.7	22%	0.216	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	134.8	-152.1	-177.3	0	0	0	0	0	111.9	F799 K824 F930	F799-G932 PolarHBondContact N-O 2.85Å; F799-G932 PolarHBondContact O-N 2.87Å; F799-G932 VanDerWaalsContact O-N 3.07Å; K824-G932 CarbonylContact O-C 3.45Å; K824-G932 VanDerWaalsContact O-CA 3.31Å; K824-G932 WeakPolarHBondContact O-CA 3.4Å; F930-G932 VanDerWaalsContact CE1-C 3.48Å
933	C	95.3	Very high	90.1	Very high	10 Å²	10	45.6 Å²	45.6	7%	0.068	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	143.4	-179.1	-58.8	0	0	0	0	112.3	A797 S798 F823 K824 W878 C960	A797-C933 WeakPolarHBondContact O-CA 3.48Å; S798-C933 PolarHBondContact OG-SG 2.82Å; F823-C933 CarbonylContact C-O 3.53Å; F823-C933 WeakPolarHBondContact CA-O 3.49Å; K824-C933 PolarHBondContact N-O 2.56Å; K824-C933 PolarHBondContact O-N 3.23Å; W878-C933 HydrophobicContact CH2-CB 3.49Å; W878-C933 VanDerWaalsContact CH2-CB 3.49Å; W878-C933 HydrophobicContact CZ2-CB 4.24Å; W878-C933 HydrophobicContact CZ3-CB 4.02Å; C933-C960 HydrophobicContact CB-CB 3.57Å; C933-C960 WeakPolarHBondContact CB-SG 3.26Å; C933-C960 WeakPolarHBondContact SG-CB 3.4Å; C933-C960 CovalentContact SG-SG 2.02Å; C933-C960 PolarHBondContact SG-SG 3.34Å
934	I	97.3	Very high	90.3	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	139.7	165.9	-59.5	177.7	0	0	0	107.7	A796 A797 F799 F821 F822 F832 V920 F930 L937 L946	A796-I934 CarbonylContact C-O 3.46Å; A796-I934 VanDerWaalsContact CA-O 3.29Å; A796-I934 WeakPolarHBondContact CA-O 3.33Å; A797-I934 PolarHBondContact N-O 2.94Å; A797-I934 PolarHBondContact O-N 3.48Å; F799-I934 HydrophobicContact CD2-CD1 4.5Å; F799-I934 HydrophobicContact CD2-CG1 4.4Å; F799-I934 HydrophobicContact CE2-CB 4.07Å; F799-I934 HydrophobicContact CE2-CD1 3.82Å; F799-I934 HydrophobicContact CE2-CG1 3.9Å; F799-I934 HydrophobicContact CZ-CD1 4.32Å; F821-I934 HydrophobicContact CB-CG2 4.2Å; F821-I934 HydrophobicContact CD2-CG2 4.06Å; F821-I934 HydrophobicContact CG-CG2 4.36Å; F822-I934 CarbonylContact O-C 3.54Å; F822-I934 WeakPolarHBondContact O-CA 3.49Å; F832-I934 HydrophobicContact CB-CD1 4.45Å; F832-I934 HydrophobicContact CD1-CD1 4.33Å; V920-I934 HydrophobicContact CG1-CD1 3.96Å; F930-I934 HydrophobicContact CD1-CD1 4Å; F930-I934 HydrophobicContact CD1-CG1 3.93Å; F930-I934 HydrophobicContact CE1-CD1 4.25Å; F930-I934 HydrophobicContact CE1-CG1 3.67Å; F930-I934 HydrophobicContact CZ-CG1 4.5Å; I934-L937 HydrophobicContact CG2-CB 4.4Å; I934-L946 HydrophobicContact CB-CD1 4.48Å; I934-L946 HydrophobicContact CG2-CD1 4.08Å
935	R	94.6	Very high	90.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	149.4	-179	179.6	-174.3	69.6	147.3	11.1	111.5	F793 N795 A796 F822 W878 L937 Y967	F793-R935 WeakPolarHBondContact O-CD 3.26Å; F793-R935 WeakPolarHBondContact O-CG 3.48Å; N795-R935 CarbonylContact O-C 3.59Å; N795-R935 WeakPolarHBondContact O-CA 3.2Å; N795-R935 WeakPolarHBondContact O-CG 3.2Å; A796-R935 HydrophobicContact CB-CB 3.79Å; A796-R935 HydrophobicContact CB-CG 3.87Å; F822-R935 HydrophobicContact CB-CB 4.43Å; F822-R935 PolarHBondContact N-O 2.83Å; F822-R935 PolarHBondContact O-N 2.85Å; W878-R935 HydrophobicContact CH2-CB 3.67Å; W878-R935 HydrophobicContact CZ3-CB 3.73Å; R935-L937 VanDerWaalsContact C-N 3.28Å; R935-L937 PolarHBondContact O-N 2.85Å; R935-Y967 PolarHBondContact NH2-OH 2.65Å
936	S	93.7	Very high	91.4	Very high	4 Å²	4	41.8 Å²	41.8	3%	0.028	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	53.1	47	175.2	176.8	0	0	0	0	111.3	P792 N795 S820 Q938	P792-S936 WeakPolarHBondContact O-CA 3.27Å; P792-S936 WeakPolarHBondContact O-CB 3.46Å; N795-S936 PolarHBondContact O-N 3.34Å; S820-S936 VanDerWaalsContact O-O 3.13Å; S936-Q938 PolarHBondContact O-N 2.69Å
937	L	96.5	Very high	91.9	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	117.2	175.5	178.1	63.3	0	0	0	109.8	V819 S820 F821 L833 V920 I934 R935 L939 L944 L946	V819-L937 HydrophobicContact CG1-CD1 4.07Å; S820-L937 CarbonylContact O-C 3.16Å; S820-L937 WeakPolarHBondContact O-CA 3.05Å; F821-L937 HydrophobicContact CB-CB 4.22Å; F821-L937 HydrophobicContact CB-CD1 3.82Å; F821-L937 HydrophobicContact CD1-CD1 3.82Å; F821-L937 HydrophobicContact CG-CD1 4.09Å; L833-L937 HydrophobicContact CD1-CD1 4.25Å; L833-L937 HydrophobicContact CD1-CD2 4.39Å; V920-L937 HydrophobicContact CB-CD2 4.41Å; V920-L937 HydrophobicContact CG1-CD2 3.8Å; V920-L937 HydrophobicContact CG2-CD2 3.68Å; I934-L937 HydrophobicContact CG2-CB 4.4Å; R935-L937 VanDerWaalsContact C-N 3.28Å; R935-L937 PolarHBondContact O-N 2.85Å; L937-L939 HydrophobicContact CD1-CD2 4.45Å; L937-L944 HydrophobicContact CD2-CD1 3.98Å; L937-L944 HydrophobicContact CG-CD1 4.4Å; L937-L944 PolarHBondContact O-N 3.34Å; L937-L946 HydrophobicContact CB-CD1 4.04Å; L937-L946 HydrophobicContact CB-CD2 4.31Å; L937-L946 HydrophobicContact CB-CG 4.42Å; L937-L946 HydrophobicContact CD2-CD2 4.08Å
938	Q	93	Very high	92.4	Very high	14 Å²	14	37.1 Å²	37.1	7%	0.065	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	142.5	176.9	-53.1	-176.2	28.9	0	0	109.9	V819 S820 S936 M942 A943	V819-Q938 WeakPolarHBondContact CA-O 3.27Å; S820-Q938 PolarHBondContact N-O 3.43Å; S820-Q938 PolarHBondContact O-N 3.04Å; S936-Q938 PolarHBondContact O-N 2.69Å; Q938-M942 CarbonylContact C-O 3.43Å; Q938-M942 VanDerWaalsContact CA-O 3.31Å; Q938-M942 WeakPolarHBondContact CA-O 3.35Å; Q938-A943 HydrophobicContact CG-CB 4.27Å
939	L	92.5	Very high	92.9	Very high	13 Å²	13	32.7 Å²	32.7	7%	0.068	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	117.7	174.7	-57.3	178.9	0	0	0	108.1	F811 D818 V819 L833 L918 L937 G941 M942 L944	F811-L939 HydrophobicContact CB-CD1 4.5Å; F811-L939 HydrophobicContact CD2-CB 3.96Å; F811-L939 HydrophobicContact CD2-CD1 4Å; F811-L939 HydrophobicContact CD2-CG 4.46Å; F811-L939 HydrophobicContact CE2-CB 3.69Å; F811-L939 HydrophobicContact CE2-CG 4.49Å; F811-L939 HydrophobicContact CG-CD1 4.26Å; F811-L939 HydrophobicContact CZ-CB 4.3Å; D818-L939 WeakPolarHBondContact O-CA 3.48Å; V819-L939 HydrophobicContact CB-CD2 4.07Å; V819-L939 HydrophobicContact CG1-CD2 3.7Å; V819-L939 HydrophobicContact CG2-CD2 3.59Å; L833-L939 HydrophobicContact CD1-CD2 4Å; L918-L939 HydrophobicContact CD2-CD1 3.42Å; L918-L939 VanDerWaalsContact CD2-CD1 3.42Å; L937-L939 HydrophobicContact CD1-CD2 4.45Å; L939-G941 VanDerWaalsContact C-N 3.27Å; L939-G941 PolarHBondContact O-N 2.88Å; L939-M942 PolarHBondContact N-O 3.1Å; L939-M942 WeakPolarHBondContact O-CB 3.48Å; L939-M942 PolarHBondContact O-N 2.85Å; L939-L944 HydrophobicContact CD1-CD1 3.53Å; L939-L944 HydrophobicContact CD1-CD2 4.48Å; L939-L944 HydrophobicContact CD1-CG 4.11Å; L939-L944 HydrophobicContact CG-CD1 4.11Å; L939-L944 HydrophobicContact CG-CG 4.38Å
940	N	87.3	Confident	93.2	Very high	38 Å²	38	32.7 Å²	32.7	20%	0.203	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	48.1	-177	-69.8	-13.7	0	0	0	112.3	F811 H812 S816 A817 D818 M942	F811-N940 HydrophobicContact CE2-CB 4.4Å; F811-N940 WeakPolarHBondContact CE2-ND2 3.22Å; H812-N940 PolarHBondContact O-ND2 2.84Å; S816-N940 PolarHBondContact O-ND2 3.46Å; A817-N940 WeakPolarHBondContact CA-OD1 3.46Å; D818-N940 PolarHBondContact N-OD1 3.34Å; D818-N940 PolarHBondContact O-N 3.24Å; N940-M942 PolarHBondContact O-N 2.9Å; N940-M942 VanDerWaalsContact O-N 3.11Å
941	G	82.7	Confident	93.2	Very high	12 Å²	12	37.4 Å²	37.4	12%	0.124	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	-11.9	-177.5	0	0	0	0	0	115.9	D614 L939	D614-G941 VanDerWaalsContact O-CA 3.27Å; D614-G941 WeakPolarHBondContact O-CA 3.49Å; L939-G941 VanDerWaalsContact C-N 3.27Å; L939-G941 PolarHBondContact O-N 2.88Å
942	M	86.5	Confident	93	Very high	146 Å²	146	40.2 Å²	40.2	72%	0.719	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89	120.4	178.6	-63.6	-166	-178.4	0	0	111.8	Q938 L939 N940	Q938-M942 CarbonylContact C-O 3.43Å; Q938-M942 VanDerWaalsContact CA-O 3.31Å; Q938-M942 WeakPolarHBondContact CA-O 3.35Å; L939-M942 PolarHBondContact N-O 3.1Å; L939-M942 WeakPolarHBondContact O-CB 3.48Å; L939-M942 PolarHBondContact O-N 2.85Å; N940-M942 PolarHBondContact O-N 2.9Å; N940-M942 VanDerWaalsContact O-N 3.11Å
943	A	90.1	Very high	92.9	Very high	42 Å²	42	40.4 Å²	40.4	35%	0.347	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	126.3	175.2	0	0	0	0	0	111.8	P792 Q938	P792-A943 HydrophobicContact CB-CB 3.72Å; P792-A943 HydrophobicContact CG-CB 4.2Å; Q938-A943 HydrophobicContact CG-CB 4.27Å
944	L	93.3	Very high	92.6	Very high	32 Å²	32	45.6 Å²	45.6	17%	0.168	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-85.6	128	173.9	-65.4	-173.9	0	0	0	110.7	N795 F808 L918 L937 L939 L946	N795-L944 PolarHBondContact ND2-O 2.99Å; F808-L944 HydrophobicContact CB-CD1 4.26Å; F808-L944 HydrophobicContact CD1-CB 4.3Å; F808-L944 HydrophobicContact CD1-CD1 4.06Å; F808-L944 HydrophobicContact CD1-CD2 4.11Å; F808-L944 HydrophobicContact CD1-CG 4.4Å; F808-L944 HydrophobicContact CD2-CD1 3.93Å; F808-L944 HydrophobicContact CE1-CB 3.96Å; F808-L944 HydrophobicContact CE1-CD1 4.41Å; F808-L944 HydrophobicContact CE2-CD1 4.28Å; F808-L944 HydrophobicContact CG-CD1 3.82Å; F808-L944 HydrophobicContact CZ-CB 4.14Å; L918-L944 HydrophobicContact CD2-CD1 3.83Å; L937-L944 HydrophobicContact CD2-CD1 3.98Å; L937-L944 HydrophobicContact CG-CD1 4.4Å; L937-L944 PolarHBondContact O-N 3.34Å; L939-L944 HydrophobicContact CD1-CD1 3.53Å; L939-L944 HydrophobicContact CD1-CD2 4.48Å; L939-L944 HydrophobicContact CD1-CG 4.11Å; L939-L944 HydrophobicContact CG-CD1 4.11Å; L939-L944 HydrophobicContact CG-CG 4.38Å; L944-L946 PolarHBondContact O-N 3.11Å
945	D	94.5	Very high	92.1	Very high	37 Å²	37	47.3 Å²	47.3	20%	0.198	27%	0.271	C	S	.	.			trans	-72.8	100.8	177.9	-159.6	-41.7	0	0	0	111.4	R791 E947 E948	R791-D945 IonicContact CZ-OD2 3.44Å; R791-D945 IonicContact NE-OD2 3.63Å; R791-D945 IonicContact NH2-OD2 2.61Å; R791-D945 PolarHBondContact NH2-OD2 3.46Å; D945-E947 PolarHBondContact OD1-N 3.06Å; D945-E948 HydrophobicContact CB-CB 4.19Å; D945-E948 VanDerWaalsContact OD1-CB 3.32Å; D945-E948 WeakPolarHBondContact OD1-CB 3.42Å; D945-E948 PolarHBondContact OD1-N 2.76Å
946	L	96.5	Very high	92.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-80.2	-36.9	-178.1	-61.8	178.7	0	0	0	110.4	N795 A797 L806 F808 V920 I934 L937 L944 A950	N795-L946 PolarHBondContact ND2-N 2.79Å; N795-L946 WeakPolarHBondContact OD1-CB 3.41Å; N795-L946 PolarHBondContact OD1-N 2.84Å; A797-L946 HydrophobicContact CB-CB 3.94Å; L806-L946 HydrophobicContact CD1-CB 4.47Å; L806-L946 HydrophobicContact CD1-CD2 4.02Å; F808-L946 HydrophobicContact CE2-CD2 4.04Å; F808-L946 HydrophobicContact CZ-CD2 3.97Å; V920-L946 HydrophobicContact CG1-CD2 4.4Å; I934-L946 HydrophobicContact CB-CD1 4.48Å; I934-L946 HydrophobicContact CG2-CD1 4.08Å; L937-L946 HydrophobicContact CB-CD1 4.04Å; L937-L946 HydrophobicContact CB-CD2 4.31Å; L937-L946 HydrophobicContact CB-CG 4.42Å; L937-L946 HydrophobicContact CD2-CD2 4.08Å; L944-L946 PolarHBondContact O-N 3.11Å; L946-A950 WeakPolarHBondContact O-CB 3.17Å; L946-A950 PolarHBondContact O-N 3.17Å
947	E	93.9	Very high	92.1	Very high	52 Å²	52	52.9 Å²	52.9	24%	0.243	30%	0.297	C	S	.	.	H	α-helix	trans	-67.4	-47	-177.9	-73.4	179.7	-172.1	0	0	112.1	N795 A796 D945 R949 A950 T951 P958	N795-E947 PolarHBondContact OD1-N 2.82Å; A796-E947 PolarHBondContact N-OE1 3.4Å; A796-E947 WeakPolarHBondContact O-CG 3.36Å; D945-E947 PolarHBondContact OD1-N 3.06Å; E947-R949 VanDerWaalsContact C-N 3.35Å; E947-R949 PolarHBondContact O-N 3.31Å; E947-A950 PolarHBondContact O-N 3.4Å; E947-T951 PolarHBondContact O-N 3.21Å; E947-T951 PolarHBondContact O-OG1 3.46Å; E947-P958 HydrophobicContact CB-CB 4.2Å; E947-P958 HydrophobicContact CG-CB 4.35Å
948	E	93.8	Very high	92	Very high	132 Å²	132	56 Å²	56	62%	0.617	32%	0.317	S	S	*	.	H	α-helix	trans	-60.8	-47.3	176.9	-176.5	176.8	-160.3	0	0	110.3	D945 A950 T951	D945-E948 HydrophobicContact CB-CB 4.19Å; D945-E948 VanDerWaalsContact OD1-CB 3.32Å; D945-E948 WeakPolarHBondContact OD1-CB 3.42Å; D945-E948 PolarHBondContact OD1-N 2.76Å; E948-A950 PolarHBondContact O-N 3.29Å; E948-T951 PolarHBondContact O-N 2.87Å
949	R	95.6	Very high	91.8	Very high	81 Å²	81	56.1 Å²	56.1	31%	0.306	32%	0.322	S	S	.	.	H	α-helix	trans	-66.6	-37.8	178.7	-174.1	61.2	76.7	-176.4	3.8	112.2	L806 H807 F808 E947 T951 V952 T953	L806-R949 HydrophobicContact CB-CG 4.06Å; L806-R949 HydrophobicContact CD2-CB 4.36Å; L806-R949 HydrophobicContact CD2-CG 3.8Å; L806-R949 HydrophobicContact CG-CG 4.34Å; H807-R949 PolarHBondContact O-NE 2.85Å; F808-R949 HydrophobicContact CE1-CB 4.26Å; F808-R949 HydrophobicContact CE1-CG 4.49Å; F808-R949 HydrophobicContact CZ-CB 3.94Å; F808-R949 HydrophobicContact CZ-CG 4.12Å; E947-R949 VanDerWaalsContact C-N 3.35Å; E947-R949 PolarHBondContact O-N 3.31Å; R949-T951 VanDerWaalsContact C-N 3.34Å; R949-V952 VanDerWaalsContact O-CG2 3.31Å; R949-V952 WeakPolarHBondContact O-CG2 3.18Å; R949-V952 PolarHBondContact O-N 3.14Å; R949-T953 WeakPolarHBondContact O-CB 3.47Å; R949-T953 PolarHBondContact O-N 2.82Å; R949-T953 PolarHBondContact O-OG1 3.41Å
950	A	95.3	Very high	91.6	Very high	2 Å²	2	55.9 Å²	55.9	2%	0.017	32%	0.321	C	S	.	.	H	α-helix	trans	-65.7	-36.8	177.5	0	0	0	0	0	112	A797 L806 L946 E947 E948 V952 T953 V956 P958	A797-A950 HydrophobicContact CB-CB 4.12Å; L806-A950 HydrophobicContact CD2-CB 4.34Å; L946-A950 WeakPolarHBondContact O-CB 3.17Å; L946-A950 PolarHBondContact O-N 3.17Å; E947-A950 PolarHBondContact O-N 3.4Å; E948-A950 PolarHBondContact O-N 3.29Å; A950-V952 PolarHBondContact O-N 2.84Å; A950-V952 VanDerWaalsContact O-N 3.17Å; A950-T953 PolarHBondContact O-N 2.58Å; A950-V956 HydrophobicContact CB-CB 4.33Å; A950-V956 HydrophobicContact CB-CG1 3.78Å; A950-P958 HydrophobicContact CB-CB 4.29Å
951	T	94.2	Very high	91.5	Very high	99 Å²	99	64.5 Å²	64.5	61%	0.607	35%	0.351	S	S	*	.	H	α-helix	trans	-57.3	-33.1	179.4	-60.2	0	0	0	0	112.5	E947 E948 R949	E947-T951 PolarHBondContact O-N 3.21Å; E947-T951 PolarHBondContact O-OG1 3.46Å; E948-T951 PolarHBondContact O-N 2.87Å; R949-T951 VanDerWaalsContact C-N 3.34Å
952	V	92.7	Very high	91.3	Very high	106 Å²	106	65.4 Å²	65.4	64%	0.642	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	2.1	179.8	-59.9	0	0	0	0	114	R949 A950	R949-V952 VanDerWaalsContact O-CG2 3.31Å; R949-V952 WeakPolarHBondContact O-CG2 3.18Å; R949-V952 PolarHBondContact O-N 3.14Å; A950-V952 PolarHBondContact O-N 2.84Å; A950-V952 VanDerWaalsContact O-N 3.17Å
953	T	91.8	Very high	91.2	Very high	24 Å²	24	58.6 Å²	58.6	15%	0.147	33%	0.327	C	S	.	.	S	Bend	trans	-112.8	115.4	-174.2	-57.2	0	0	0	0	112.1	Y805 L806 R949 A950 G955 V956	Y805-T953 WeakPolarHBondContact O-CG2 3.38Å; L806-T953 HydrophobicContact CD2-CG2 3.99Å; R949-T953 WeakPolarHBondContact O-CB 3.47Å; R949-T953 PolarHBondContact O-N 2.82Å; R949-T953 PolarHBondContact O-OG1 3.41Å; A950-T953 PolarHBondContact O-N 2.58Å; T953-G955 PolarHBondContact O-N 2.73Å; T953-V956 HydrophobicContact CG2-CG2 4.14Å; T953-V956 PolarHBondContact O-N 2.71Å
954	P	88.9	Confident	91.2	Very high	119 Å²	119	58.2 Å²	58.2	77%	0.773	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	137.5	177.4	-23.6	33.6	0	0	0	113.2	V956	P954-V956 VanDerWaalsContact C-N 3.3Å; P954-V956 PolarHBondContact O-N 3.49Å
955	G	87	Confident	90.7	Very high	39 Å²	39	59.1 Å²	59.1	40%	0.402	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	-6.7	177.8	0	0	0	0	0	115.1	N800 T953	N800-G955 PolarHBondContact N-O 2.82Å; T953-G955 PolarHBondContact O-N 2.73Å
956	V	94.3	Very high	90.1	Very high	9 Å²	9	58.3 Å²	58.3	6%	0.055	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	142.5	172.1	-168.5	0	0	0	0	108.7	A797 S798 F799 L806 A950 T953 P954	A797-V956 HydrophobicContact CB-CG1 3.85Å; S798-V956 WeakPolarHBondContact O-CA 3.4Å; S798-V956 WeakPolarHBondContact O-CG1 3.33Å; F799-V956 HydrophobicContact CD1-CG1 4.25Å; F799-V956 HydrophobicContact CD1-CG2 3.93Å; F799-V956 HydrophobicContact CE1-CG1 4.19Å; F799-V956 HydrophobicContact CE1-CG2 4.07Å; F799-V956 HydrophobicContact CZ-CG1 4.49Å; L806-V956 HydrophobicContact CD1-CG1 4.44Å; L806-V956 HydrophobicContact CD2-CB 4.08Å; L806-V956 HydrophobicContact CD2-CG1 3.98Å; L806-V956 HydrophobicContact CD2-CG2 4Å; L806-V956 HydrophobicContact CG-CG1 4.31Å; L806-V956 HydrophobicContact CG-CG2 4.46Å; A950-V956 HydrophobicContact CB-CB 4.33Å; A950-V956 HydrophobicContact CB-CG1 3.78Å; T953-V956 HydrophobicContact CG2-CG2 4.14Å; T953-V956 PolarHBondContact O-N 2.71Å; P954-V956 VanDerWaalsContact C-N 3.3Å; P954-V956 PolarHBondContact O-N 3.49Å
957	Q	93.9	Very high	89.6	Confident	112 Å²	112	59.7 Å²	59.7	52%	0.523	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	139.4	177.6	-71.9	176.8	-26.5	0	0	110.8	A797 S798 N800	A797-Q957 WeakPolarHBondContact CA-O 3.31Å; S798-Q957 PolarHBondContact N-O 3.03Å; S798-Q957 PolarHBondContact O-N 3.33Å; N800-Q957 VanDerWaalsContact ND2-CD 3.28Å; N800-Q957 PolarHBondContact ND2-OE1 2.93Å; N800-Q957 VanDerWaalsContact ND2-OE1 3.13Å
958	P	93.6	Very high	89.2	Confident	68 Å²	68	58.1 Å²	58.1	44%	0.442	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	141.1	174.4	29.1	-34.3	0	0	0	111	E947 A950	E947-P958 HydrophobicContact CB-CB 4.2Å; E947-P958 HydrophobicContact CG-CB 4.35Å; A950-P958 HydrophobicContact CB-CB 4.29Å
959	G	90.2	Very high	88.9	Confident	15 Å²	15	60.4 Å²	60.4	16%	0.155	35%	0.346	C	S	.	.	S	Bend	trans	78.7	173	-177.4	0	0	0	0	0	113.8	A796 S798	A796-G959 WeakPolarHBondContact O-CA 3.33Å; A796-G959 PolarHBondContact O-N 2.86Å; S798-G959 PolarHBondContact OG-O 2.79Å
960	C	88.2	Confident	88.5	Confident	8 Å²	8	58 Å²	58	5%	0.054	34%	0.34	C	S	.	.			trans	-151.6	128	172.5	176.4	0	0	0	0	111.2	A796 W878 C933 H963	A796-C960 HydrophobicContact CB-CB 4.06Å; W878-C960 HydrophobicContact CH2-CB 4.08Å; W878-C960 HydrophobicContact CZ2-CB 4.04Å; C933-C960 HydrophobicContact CB-CB 3.57Å; C933-C960 WeakPolarHBondContact CB-SG 3.26Å; C933-C960 WeakPolarHBondContact SG-CB 3.4Å; C933-C960 CovalentContact SG-SG 2.02Å; C933-C960 PolarHBondContact SG-SG 3.34Å; C960-H963 PolarHBondContact O-CE1 2.74Å; C960-H963 PolarHBondContact O-NE2 3.01Å
961	R	83.5	Confident	88.3	Confident	220 Å²	220	58.7 Å²	58.7	83%	0.83	34%	0.344	S	S	*	.			trans	-85	164.4	178.1	-61.5	-178.1	-179.3	177.3	0.2	112.3
962	G	80	Confident	88.1	Confident	31 Å²	31	61.3 Å²	61.3	32%	0.32	34%	0.343	S	S	.	.			trans	102.9	28.5	171.4	0	0	0	0	0	113.9	C964 G965 E979	G962-C964 VanDerWaalsContact C-N 3.29Å; G962-C964 PolarHBondContact O-N 3.36Å; G962-G965 PolarHBondContact O-N 2.82Å; G962-E979 PolarHBondContact N-OE1 3.38Å
963	H	84.4	Confident	87.9	Confident	3 Å²	3	60.5 Å²	60.5	1%	0.014	33%	0.332	C	S	.	.	H	α-helix	trans	-60.8	-37	177.3	-60	-62.3	0	0	0	112.3	W794 W878 C960 G965 S966 Y967 E979 G983 F984	W794-H963 AromaticContact CE3-CE1 3.9Å; W794-H963 AromaticContact CZ3-CE1 3.84Å; W794-H963 AromaticContact CZ3-ND1 3.74Å; W878-H963 AromaticContact NE1-ND1 3.83Å; C960-H963 PolarHBondContact O-CE1 2.74Å; C960-H963 PolarHBondContact O-NE2 3.01Å; H963-G965 PolarHBondContact O-N 2.63Å; H963-G965 VanDerWaalsContact O-N 3.13Å; H963-S966 PolarHBondContact O-N 3.04Å; H963-S966 VanDerWaalsContact O-N 3.15Å; H963-Y967 HydrophobicContact CB-CD2 4.3Å; H963-Y967 WeakPolarHBondContact O-CD2 3.39Å; H963-Y967 PolarHBondContact O-N 3.49Å; H963-E979 IonicContact CD2-OE1 3.13Å; H963-E979 PolarHBondContact CD2-OE1 3.28Å; H963-E979 IonicContact CG-OE1 3.58Å; H963-E979 VanDerWaalsContact N-CD 3.34Å; H963-E979 PolarHBondContact N-OE1 2.79Å; H963-E979 PolarHBondContact N-OE2 3.01Å; H963-E979 IonicContact NE2-OE1 3.94Å; H963-G983 VanDerWaalsContact CD2-C 3.5Å; H963-G983 WeakPolarHBondContact CD2-CA 3.39Å; H963-G983 PolarHBondContact CD2-N 2.94Å; H963-G983 VanDerWaalsContact CD2-N 3.3Å; H963-G983 PolarHBondContact CD2-O 3.46Å; H963-G983 PolarHBondContact NE2-N 3.02Å; H963-G983 VanDerWaalsContact NE2-N 3.18Å; H963-F984 HydrophobicContact CB-CB 4.16Å
964	C	89.1	Confident	87.5	Confident	34 Å²	34	62.5 Å²	62.5	23%	0.23	36%	0.357	C	S	.	.	H	α-helix	trans	-61.3	-21.8	178.8	-76.6	0	0	0	0	114.9	G962 G968 C977 R978 E979	G962-C964 VanDerWaalsContact C-N 3.29Å; G962-C964 PolarHBondContact O-N 3.36Å; C964-G968 WeakPolarHBondContact O-CA 3.45Å; C964-G968 PolarHBondContact O-N 2.96Å; C964-C977 WeakPolarHBondContact CA-SG 3.4Å; C964-C977 HydrophobicContact CB-CB 3.81Å; C964-C977 WeakPolarHBondContact CB-SG 3.27Å; C964-C977 WeakPolarHBondContact SG-CB 3.37Å; C964-C977 CovalentContact SG-SG 2.04Å; C964-C977 PolarHBondContact SG-SG 2.93Å; C964-R978 PolarHBondContact SG-N 3.14Å; C964-E979 PolarHBondContact N-OE2 2.72Å; C964-E979 VanDerWaalsContact N-OE2 3.07Å
965	G	83.1	Confident	87.6	Confident	51 Å²	51	57.4 Å²	57.4	53%	0.526	33%	0.326	S	S	.	.	H	α-helix	trans	-60.8	-48.5	173.5	0	0	0	0	0	111.6	Q877 G962 H963	Q877-G965 PolarHBondContact OE1-O 2.91Å; Q877-G965 VanDerWaalsContact OE1-O 3.08Å; G962-G965 PolarHBondContact O-N 2.82Å; H963-G965 PolarHBondContact O-N 2.63Å; H963-G965 VanDerWaalsContact O-N 3.13Å
966	S	82.2	Confident	87.8	Confident	20 Å²	20	60.9 Å²	60.9	14%	0.14	33%	0.33	C	S	.	.	H	α-helix	trans	-90.7	-34	-172	-47.8	0	0	0	0	112.8	Q877 W878 H963	Q877-S966 VanDerWaalsContact OE1-CA 3.24Å; Q877-S966 PolarHBondContact OE1-OG 3.31Å; W878-S966 PolarHBondContact N-OG 2.85Å; H963-S966 PolarHBondContact O-N 3.04Å; H963-S966 VanDerWaalsContact O-N 3.15Å
967	Y	85.7	Confident	87.7	Confident	28 Å²	28	62.1 Å²	62.1	11%	0.11	34%	0.339	C	S	.	.	H	α-helix	trans	-104.2	-8.7	-176.2	-57.1	-78	0	0	0	114.2	R935 H963 K969 L970 F984	R935-Y967 PolarHBondContact NH2-OH 2.65Å; H963-Y967 HydrophobicContact CB-CD2 4.3Å; H963-Y967 WeakPolarHBondContact O-CD2 3.39Å; H963-Y967 PolarHBondContact O-N 3.49Å; Y967-K969 PolarHBondContact O-N 2.83Å; Y967-K969 VanDerWaalsContact O-N 3.07Å; Y967-L970 HydrophobicContact CD1-CD1 4.17Å; Y967-L970 VanDerWaalsContact O-CB 3.27Å; Y967-L970 WeakPolarHBondContact O-CB 2.91Å; Y967-L970 WeakPolarHBondContact O-CG 3.35Å; Y967-L970 PolarHBondContact O-N 2.82Å; Y967-F984 VanDerWaalsContact CB-CZ 3.45Å; Y967-F984 HydrophobicContact CD1-CE1 4.19Å; Y967-F984 HydrophobicContact CD2-CD1 4.22Å; Y967-F984 HydrophobicContact CD2-CE1 4.22Å; Y967-F984 HydrophobicContact CG-CD1 4.05Å; Y967-F984 AromaticContact CG-CE1 3.63Å; Y967-F984 HydrophobicContact CG-CE1 3.63Å; Y967-F984 HydrophobicContact CG-CZ 4.28Å
968	G	86.4	Confident	87.6	Confident	20 Å²	20	62.1 Å²	62.1	21%	0.206	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-58.4	-27.5	-175.9	0	0	0	0	0	114.1	C964 L970 C971	C964-G968 WeakPolarHBondContact O-CA 3.45Å; C964-G968 PolarHBondContact O-N 2.96Å; G968-L970 PolarHBondContact O-N 3.36Å; G968-C971 WeakPolarHBondContact O-CB 3.06Å; G968-C971 PolarHBondContact O-N 3.35Å
969	K	86.9	Confident	87.4	Confident	179 Å²	179	62.3 Å²	62.3	78%	0.778	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-62.5	-19.1	174	67.5	-178.4	177.8	-176	0	114.2	Y967 C971	Y967-K969 PolarHBondContact O-N 2.83Å; Y967-K969 VanDerWaalsContact O-N 3.07Å; K969-C971 VanDerWaalsContact C-N 3.27Å
970	L	87.7	Confident	87.1	Confident	32 Å²	32	66.1 Å²	66.1	17%	0.168	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-71.7	-24.1	174.5	-62.7	176.5	0	0	0	111.5	Y967 G968 R972 F984 F997	Y967-L970 HydrophobicContact CD1-CD1 4.17Å; Y967-L970 VanDerWaalsContact O-CB 3.27Å; Y967-L970 WeakPolarHBondContact O-CB 2.91Å; Y967-L970 WeakPolarHBondContact O-CG 3.35Å; Y967-L970 PolarHBondContact O-N 2.82Å; G968-L970 PolarHBondContact O-N 3.36Å; L970-R972 PolarHBondContact O-N 3.44Å; L970-R972 VanDerWaalsContact O-N 3.14Å; L970-F984 HydrophobicContact CB-CZ 4.41Å; L970-F984 HydrophobicContact CD1-CZ 3.92Å; L970-F997 HydrophobicContact CB-CD1 3.69Å; L970-F997 HydrophobicContact CB-CE1 3.83Å; L970-F997 HydrophobicContact CD1-CE1 4Å; L970-F997 HydrophobicContact CD1-CZ 4.35Å; L970-F997 WeakPolarHBondContact O-CB 3.01Å
971	C	91.2	Very high	86.6	Confident	16 Å²	16	71.5 Å²	71.5	11%	0.108	38%	0.377	C	S	.	.			trans	-74.5	102	175.1	-56.6	0	0	0	0	110.6	G968 K969 G975 C986	G968-C971 WeakPolarHBondContact O-CB 3.06Å; G968-C971 PolarHBondContact O-N 3.35Å; K969-C971 VanDerWaalsContact C-N 3.27Å; C971-G975 WeakPolarHBondContact CB-O 3.15Å; C971-C986 WeakPolarHBondContact CA-SG 3.16Å; C971-C986 HydrophobicContact CB-CB 3.74Å; C971-C986 WeakPolarHBondContact CB-SG 3.43Å; C971-C986 VanDerWaalsContact SG-CA 3.53Å; C971-C986 WeakPolarHBondContact SG-CB 3.48Å; C971-C986 CovalentContact SG-SG 2.03Å; C971-C986 PolarHBondContact SG-SG 3.11Å
972	R	90	Very high	86.3	Confident	153 Å²	153	63.4 Å²	63.4	58%	0.577	35%	0.354	S	S	*	.			trans	-87.8	172.8	-176.9	-56.9	-167.9	-177.3	179.3	0.2	112.2	L970 G974 G975 F997 C998	L970-R972 PolarHBondContact O-N 3.44Å; L970-R972 VanDerWaalsContact O-N 3.14Å; R972-G974 PolarHBondContact O-N 2.86Å; R972-G975 PolarHBondContact O-N 3.01Å; R972-F997 PolarHBondContact N-O 3.39Å; R972-C998 WeakPolarHBondContact O-CB 3.01Å
973	H	88	Confident	86.5	Confident	90 Å²	90	62 Å²	62	42%	0.417	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	35.8	171.9	-48.9	118.3	0	0	0	115.6	G975 Y993 C998	H973-G975 VanDerWaalsContact C-N 3.33Å; H973-Y993 HydrophobicContact CB-CD1 4.34Å; H973-Y993 HydrophobicContact CB-CD2 3.49Å; H973-Y993 VanDerWaalsContact CB-CD2 3.49Å; H973-Y993 HydrophobicContact CB-CE1 4.42Å; H973-Y993 HydrophobicContact CB-CE2 3.65Å; H973-Y993 HydrophobicContact CB-CG 3.89Å; H973-Y993 AromaticContact CD2-CZ 3.92Å; H973-Y993 AromaticContact CE1-CD1 3.95Å; H973-Y993 AromaticContact CE1-CE1 3.7Å; H973-Y993 AromaticContact CG-CD1 3.93Å; H973-Y993 AromaticContact CG-CD2 3.92Å; H973-Y993 AromaticContact CG-CE1 3.78Å; H973-Y993 AromaticContact CG-CE2 3.82Å; H973-Y993 AromaticContact CG-CG 4Å; H973-Y993 AromaticContact CG-CZ 3.75Å; H973-Y993 AromaticContact ND1-CD1 3.44Å; H973-Y993 WeakPolarHBondContact ND1-CD1 3.31Å; H973-Y993 AromaticContact ND1-CE1 3.53Å; H973-Y993 AromaticContact ND1-CG 3.8Å; H973-C998 PolarHBondContact ND1-O 3.4Å
974	G	84	Confident	86.7	Confident	65 Å²	65	62.6 Å²	62.6	67%	0.67	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	11.5	179.5	0	0	0	0	0	114.8	R972	R972-G974 PolarHBondContact O-N 2.86Å
975	G	89.3	Confident	86.7	Confident	12 Å²	12	65.1 Å²	65.1	12%	0.124	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-58.3	135.3	170.5	0	0	0	0	0	111.7	C971 R972 H973	C971-G975 WeakPolarHBondContact CB-O 3.15Å; R972-G975 PolarHBondContact O-N 3.01Å; H973-G975 VanDerWaalsContact C-N 3.33Å
976	K	91.3	Very high	87.1	Confident	112 Å²	112	63.3 Å²	63.3	49%	0.487	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	121.8	-179.2	-67.4	178.8	-177.8	172.3	0	109.9	R978 D987	K976-R978 PolarHBondContact O-N 3.23Å; K976-D987 HydrophobicContact CB-CB 4.29Å; K976-D987 PolarHBondContact N-O 2.57Å; K976-D987 WeakPolarHBondContact O-CB 3.35Å; K976-D987 PolarHBondContact O-N 3.07Å
977	C	92.3	Very high	87.6	Confident	36 Å²	36	63.7 Å²	63.7	24%	0.243	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	133.5	173	-172.6	0	0	0	0	110.7	C964 F984	C964-C977 WeakPolarHBondContact CA-SG 3.4Å; C964-C977 HydrophobicContact CB-CB 3.81Å; C964-C977 WeakPolarHBondContact CB-SG 3.27Å; C964-C977 WeakPolarHBondContact SG-CB 3.37Å; C964-C977 CovalentContact SG-SG 2.04Å; C964-C977 PolarHBondContact SG-SG 2.93Å; C977-F984 WeakPolarHBondContact SG-CD2 3.25Å
978	R	92	Very high	87.8	Confident	111 Å²	111	63 Å²	63	42%	0.419	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	130.5	177.1	-61.3	-60.9	-172.6	166.7	5.9	109.7	C964 K976 F984 F985 D987	C964-R978 PolarHBondContact SG-N 3.14Å; K976-R978 PolarHBondContact O-N 3.23Å; R978-F984 CarbonylContact O-C 3.47Å; R978-F984 VanDerWaalsContact O-CA 3.25Å; R978-F984 WeakPolarHBondContact O-CA 3.47Å; R978-F984 WeakPolarHBondContact O-CB 3.35Å; R978-F985 HydrophobicContact CB-CD1 3.59Å; R978-F985 HydrophobicContact CB-CD2 4.41Å; R978-F985 HydrophobicContact CB-CE1 3.21Å; R978-F985 HydrophobicContact CB-CE2 4.06Å; R978-F985 HydrophobicContact CB-CG 4.22Å; R978-F985 HydrophobicContact CB-CZ 3.47Å; R978-F985 VanDerWaalsContact CB-CZ 3.47Å; R978-F985 HydrophobicContact CG-CE1 3.97Å; R978-F985 HydrophobicContact CG-CE2 3.99Å; R978-F985 HydrophobicContact CG-CZ 3.66Å; R978-F985 PolarHBondContact N-O 2.78Å; R978-F985 PolarHBondContact O-N 3.46Å; R978-D987 HydrophobicContact CG-CB 3.79Å; R978-D987 IonicContact CZ-OD2 3.63Å; R978-D987 IonicContact NE-OD2 3.32Å; R978-D987 PolarHBondContact NE-OD2 2.88Å; R978-D987 IonicContact NH2-OD2 3.01Å; R978-D987 PolarHBondContact NH2-OD2 2.84Å
979	E	89.5	Confident	87.7	Confident	72 Å²	72	66 Å²	66	34%	0.336	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	141.8	179.8	-164.2	68.2	-172.8	0	0	111.3	G962 H963 C964	G962-E979 PolarHBondContact N-OE1 3.38Å; H963-E979 IonicContact CD2-OE1 3.13Å; H963-E979 PolarHBondContact CD2-OE1 3.28Å; H963-E979 IonicContact CG-OE1 3.58Å; H963-E979 VanDerWaalsContact N-CD 3.34Å; H963-E979 PolarHBondContact N-OE1 2.79Å; H963-E979 PolarHBondContact N-OE2 3.01Å; H963-E979 IonicContact NE2-OE1 3.94Å; C964-E979 PolarHBondContact N-OE2 2.72Å; C964-E979 VanDerWaalsContact N-OE2 3.07Å
980	K	83.5	Confident	87.4	Confident	95 Å²	95	60 Å²	60	41%	0.413	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	159.7	167.4	-73.7	173.9	166.3	170.5	0	109.1	S982 G983 F985	K980-S982 PolarHBondContact O-N 3.05Å; K980-G983 WeakPolarHBondContact CA-O 3.5Å; K980-G983 WeakPolarHBondContact CB-O 3.46Å; K980-G983 PolarHBondContact N-O 2.02Å; K980-G983 VanDerWaalsContact O-O 3.06Å; K980-F985 HydrophobicContact CD-CD1 3.89Å; K980-F985 HydrophobicContact CG-CD1 3.9Å; K980-F985 HydrophobicContact CG-CE1 4.33Å
981	P	77.7	Confident	87.5	Confident	122 Å²	122	58.5 Å²	58.5	79%	0.792	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-41	172.8	-26.1	35.1	0	0	0	112.9
982	S	78	Confident	87.5	Confident	50 Å²	50	57.8 Å²	57.8	35%	0.35	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	78.6	175.3	-51.6	0	0	0	0	109.2	K980	K980-S982 PolarHBondContact O-N 3.05Å
983	G	84.8	Confident	87.6	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	101	-144.4	174.4	0	0	0	0	0	115.8	W794 H963 K980	W794-G983 VanDerWaalsContact CH2-CA 3.45Å; H963-G983 VanDerWaalsContact CD2-C 3.5Å; H963-G983 WeakPolarHBondContact CD2-CA 3.39Å; H963-G983 PolarHBondContact CD2-N 2.94Å; H963-G983 VanDerWaalsContact CD2-N 3.3Å; H963-G983 PolarHBondContact CD2-O 3.46Å; H963-G983 PolarHBondContact NE2-N 3.02Å; H963-G983 VanDerWaalsContact NE2-N 3.18Å; K980-G983 WeakPolarHBondContact CA-O 3.5Å; K980-G983 WeakPolarHBondContact CB-O 3.46Å; K980-G983 PolarHBondContact N-O 2.02Å; K980-G983 VanDerWaalsContact O-O 3.06Å
984	F	88.3	Confident	87.6	Confident	17 Å²	17	48.8 Å²	48.8	8%	0.075	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	172.5	-174.4	75.9	-73.4	0	0	0	111.4	H601 H963 Y967 L970 C977 R978 F997	H601-F984 AromaticContact CD2-CE1 3.68Å; H601-F984 AromaticContact NE2-CE1 3.6Å; H963-F984 HydrophobicContact CB-CB 4.16Å; Y967-F984 VanDerWaalsContact CB-CZ 3.45Å; Y967-F984 HydrophobicContact CD1-CE1 4.19Å; Y967-F984 HydrophobicContact CD2-CD1 4.22Å; Y967-F984 HydrophobicContact CD2-CE1 4.22Å; Y967-F984 HydrophobicContact CG-CD1 4.05Å; Y967-F984 AromaticContact CG-CE1 3.63Å; Y967-F984 HydrophobicContact CG-CE1 3.63Å; Y967-F984 HydrophobicContact CG-CZ 4.28Å; L970-F984 HydrophobicContact CB-CZ 4.41Å; L970-F984 HydrophobicContact CD1-CZ 3.92Å; C977-F984 WeakPolarHBondContact SG-CD2 3.25Å; R978-F984 CarbonylContact O-C 3.47Å; R978-F984 VanDerWaalsContact O-CA 3.25Å; R978-F984 WeakPolarHBondContact O-CA 3.47Å; R978-F984 WeakPolarHBondContact O-CB 3.35Å; F984-F997 HydrophobicContact CE2-CE1 4.39Å; F984-F997 HydrophobicContact CZ-CE1 4.01Å
985	F	89.4	Confident	87.7	Confident	87 Å²	87	46.7 Å²	46.7	38%	0.382	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	158.3	164.2	72.6	-77.6	0	0	0	111	R978 K980 D987	R978-F985 HydrophobicContact CB-CD1 3.59Å; R978-F985 HydrophobicContact CB-CD2 4.41Å; R978-F985 HydrophobicContact CB-CE1 3.21Å; R978-F985 HydrophobicContact CB-CE2 4.06Å; R978-F985 HydrophobicContact CB-CG 4.22Å; R978-F985 HydrophobicContact CB-CZ 3.47Å; R978-F985 VanDerWaalsContact CB-CZ 3.47Å; R978-F985 HydrophobicContact CG-CE1 3.97Å; R978-F985 HydrophobicContact CG-CE2 3.99Å; R978-F985 HydrophobicContact CG-CZ 3.66Å; R978-F985 PolarHBondContact N-O 2.78Å; R978-F985 PolarHBondContact O-N 3.46Å; K980-F985 HydrophobicContact CD-CD1 3.89Å; K980-F985 HydrophobicContact CG-CD1 3.9Å; K980-F985 HydrophobicContact CG-CE1 4.33Å; F985-D987 HydrophobicContact CE2-CB 4.3Å
986	C	91.6	Very high	87.5	Confident	12 Å²	12	47.6 Å²	47.6	8%	0.081	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	118.7	174.7	-56.2	0	0	0	0	110.4	C971 C988 P996	C971-C986 WeakPolarHBondContact CA-SG 3.16Å; C971-C986 HydrophobicContact CB-CB 3.74Å; C971-C986 WeakPolarHBondContact CB-SG 3.43Å; C971-C986 VanDerWaalsContact SG-CA 3.53Å; C971-C986 WeakPolarHBondContact SG-CB 3.48Å; C971-C986 CovalentContact SG-SG 2.03Å; C971-C986 PolarHBondContact SG-SG 3.11Å; C986-C988 PolarHBondContact O-N 3.11Å; C986-P996 VanDerWaalsContact CB-O 3.28Å; C986-P996 WeakPolarHBondContact CB-O 2.93Å; C986-P996 PolarHBondContact SG-O 3.5Å; C986-P996 VanDerWaalsContact SG-O 3.36Å
987	D	91.8	Very high	87.5	Confident	28 Å²	28	43.6 Å²	43.6	15%	0.15	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	102.2	171	174.1	8.7	0	0	0	109.2	K976 R978 F985 S989	K976-D987 HydrophobicContact CB-CB 4.29Å; K976-D987 PolarHBondContact N-O 2.57Å; K976-D987 WeakPolarHBondContact O-CB 3.35Å; K976-D987 PolarHBondContact O-N 3.07Å; R978-D987 HydrophobicContact CG-CB 3.79Å; R978-D987 IonicContact CZ-OD2 3.63Å; R978-D987 IonicContact NE-OD2 3.32Å; R978-D987 PolarHBondContact NE-OD2 2.88Å; R978-D987 IonicContact NH2-OD2 3.01Å; R978-D987 PolarHBondContact NH2-OD2 2.84Å; F985-D987 HydrophobicContact CE2-CB 4.3Å; D987-S989 VanDerWaalsContact C-N 3.33Å; D987-S989 WeakPolarHBondContact OD1-CB 3.15Å; D987-S989 PolarHBondContact OD1-N 2.7Å; D987-S989 PolarHBondContact OD1-OG 2.86Å
988	C	90	Very high	87.4	Confident	13 Å²	13	41.9 Å²	41.9	9%	0.088	23%	0.233	C	C	.	.			trans	-89.9	7.7	179.2	-46	0	0	0	0	113	C986 S990 S991 Y993 G995 C998 K1182	C986-C988 PolarHBondContact O-N 3.11Å; C988-S990 VanDerWaalsContact C-N 3.3Å; C988-S990 PolarHBondContact O-N 2.92Å; C988-S991 PolarHBondContact O-N 3.46Å; C988-S991 VanDerWaalsContact O-N 3.08Å; C988-S991 PolarHBondContact O-OG 2.69Å; C988-Y993 WeakPolarHBondContact CB-O 3.25Å; C988-G995 PolarHBondContact SG-O 2.8Å; C988-C998 WeakPolarHBondContact CA-SG 3.48Å; C988-C998 HydrophobicContact CB-CB 3.87Å; C988-C998 WeakPolarHBondContact CB-SG 3.3Å; C988-C998 WeakPolarHBondContact SG-CA 3.26Å; C988-C998 WeakPolarHBondContact SG-CB 3.48Å; C988-C998 CovalentContact SG-SG 2.04Å; C988-C998 PolarHBondContact SG-SG 3.49Å; C988-K1182 PolarHBondContact O-NZ 3.36Å
989	S	84.6	Confident	87.2	Confident	85 Å²	85	39.2 Å²	39.2	59%	0.594	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-37	-170.2	-51.4	0	0	0	0	112.9	D987 S991	D987-S989 VanDerWaalsContact C-N 3.33Å; D987-S989 WeakPolarHBondContact OD1-CB 3.15Å; D987-S989 PolarHBondContact OD1-N 2.7Å; D987-S989 PolarHBondContact OD1-OG 2.86Å; S989-S991 VanDerWaalsContact C-N 3.31Å; S989-S991 PolarHBondContact O-N 3.32Å
990	S	81.4	Confident	87.2	Confident	51 Å²	51	41.5 Å²	41.5	36%	0.357	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	20.1	178.1	-49.4	0	0	0	0	114.1	C988 Q1174	C988-S990 VanDerWaalsContact C-N 3.3Å; C988-S990 PolarHBondContact O-N 2.92Å; S990-Q1174 PolarHBondContact O-NE2 3.28Å
991	S	89	Confident	87.4	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.007	24%	0.235	C	C	.	.	S	Bend	trans	-128	155.4	179.9	77.7	0	0	0	0	110.9	C988 S989 Y993 K1182	C988-S991 PolarHBondContact O-N 3.46Å; C988-S991 VanDerWaalsContact O-N 3.08Å; C988-S991 PolarHBondContact O-OG 2.69Å; S989-S991 VanDerWaalsContact C-N 3.31Å; S989-S991 PolarHBondContact O-N 3.32Å; S991-Y993 PolarHBondContact O-N 3.42Å; S991-Y993 VanDerWaalsContact O-N 3.16Å; S991-Y993 PolarHBondContact OG-N 3.26Å; S991-Y993 PolarHBondContact OG-O 3.03Å; S991-K1182 WeakPolarHBondContact O-CD 3.48Å
992	A	91	Very high	88.1	Confident	2 Å²	2	34.8 Å²	34.8	2%	0.017	20%	0.2	C	C	.	.	S	Bend	trans	-78.6	16.1	171.6	0	0	0	0	0	113.9	I1002 A1172 V1173 Q1174 A1179	A992-I1002 WeakPolarHBondContact O-CB 3.28Å; A992-I1002 PolarHBondContact O-N 2.95Å; A992-A1172 HydrophobicContact CB-CB 4.42Å; A992-V1173 WeakPolarHBondContact CB-O 2.93Å; A992-Q1174 HydrophobicContact CB-CB 3.93Å; A992-A1179 HydrophobicContact CB-CB 4.05Å
993	Y	91.7	Very high	88.8	Confident	37 Å²	37	33 Å²	33	15%	0.145	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	164.6	-178.3	-60.3	-102.2	0	0	0	110.6	H973 C988 S991 C998 K1000 E1001 A1172 K1182	H973-Y993 HydrophobicContact CB-CD1 4.34Å; H973-Y993 HydrophobicContact CB-CD2 3.49Å; H973-Y993 VanDerWaalsContact CB-CD2 3.49Å; H973-Y993 HydrophobicContact CB-CE1 4.42Å; H973-Y993 HydrophobicContact CB-CE2 3.65Å; H973-Y993 HydrophobicContact CB-CG 3.89Å; H973-Y993 AromaticContact CD2-CZ 3.92Å; H973-Y993 AromaticContact CE1-CD1 3.95Å; H973-Y993 AromaticContact CE1-CE1 3.7Å; H973-Y993 AromaticContact CG-CD1 3.93Å; H973-Y993 AromaticContact CG-CD2 3.92Å; H973-Y993 AromaticContact CG-CE1 3.78Å; H973-Y993 AromaticContact CG-CE2 3.82Å; H973-Y993 AromaticContact CG-CG 4Å; H973-Y993 AromaticContact CG-CZ 3.75Å; H973-Y993 AromaticContact ND1-CD1 3.44Å; H973-Y993 WeakPolarHBondContact ND1-CD1 3.31Å; H973-Y993 AromaticContact ND1-CE1 3.53Å; H973-Y993 AromaticContact ND1-CG 3.8Å; C988-Y993 WeakPolarHBondContact CB-O 3.25Å; S991-Y993 PolarHBondContact O-N 3.42Å; S991-Y993 VanDerWaalsContact O-N 3.16Å; S991-Y993 PolarHBondContact OG-N 3.26Å; S991-Y993 PolarHBondContact OG-O 3.03Å; Y993-C998 VanDerWaalsContact CB-O 3.27Å; Y993-C998 WeakPolarHBondContact CB-O 3.13Å; Y993-K1000 CarbonylContact C-O 3.53Å; Y993-K1000 VanDerWaalsContact CA-O 3.27Å; Y993-K1000 WeakPolarHBondContact CA-O 3.28Å; Y993-E1001 HydrophobicContact CD1-CG 3.87Å; Y993-E1001 HydrophobicContact CE1-CG 3.49Å; Y993-E1001 VanDerWaalsContact CE1-CG 3.49Å; Y993-A1172 HydrophobicContact CE1-CB 4.42Å; Y993-A1172 HydrophobicContact CE2-CB 4.25Å; Y993-K1182 PolarHBondContact O-NZ 3.06Å
994	A	88.3	Confident	89.3	Confident	16 Å²	16	33 Å²	33	13%	0.132	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	-175.4	178.6	0	0	0	0	0	110.9	C998 S999 K1000 I1002	A994-C998 CarbonylContact O-C 3.54Å; A994-C998 WeakPolarHBondContact O-CA 2.93Å; A994-S999 PolarHBondContact O-N 3.05Å; A994-S999 VanDerWaalsContact O-N 3.1Å; A994-K1000 PolarHBondContact N-O 2.88Å; A994-K1000 WeakPolarHBondContact O-CB 3.47Å; A994-K1000 PolarHBondContact O-N 3.11Å; A994-I1002 HydrophobicContact CB-CD1 4.21Å; A994-I1002 HydrophobicContact CB-CG1 4.14Å
995	G	85.9	Confident	89.6	Confident	22 Å²	22	36.7 Å²	36.7	23%	0.227	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	172.2	-177	0	0	0	0	0	113.1	C988 F997 C998	C988-G995 PolarHBondContact SG-O 2.8Å; G995-F997 PolarHBondContact O-N 2.97Å; G995-C998 PolarHBondContact O-N 3.49Å; G995-C998 VanDerWaalsContact O-N 3.13Å
996	P	86.1	Confident	89.9	Confident	31 Å²	31	32.6 Å²	32.6	20%	0.201	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-27.1	-169.2	21.6	-33.4	0	0	0	114.5	T629 C986	T629-P996 WeakPolarHBondContact O-CB 3.32Å; T629-P996 WeakPolarHBondContact O-CG 3.23Å; C986-P996 VanDerWaalsContact CB-O 3.28Å; C986-P996 WeakPolarHBondContact CB-O 2.93Å; C986-P996 PolarHBondContact SG-O 3.5Å; C986-P996 VanDerWaalsContact SG-O 3.36Å
997	F	89.8	Confident	89.9	Confident	28 Å²	28	32.3 Å²	32.3	12%	0.123	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.5	19.6	-176	-60.4	-53.2	0	0	0	112.3	K600 L970 R972 F984 G995 S999	K600-F997 HydrophobicContact CG-CE2 4.22Å; K600-F997 HydrophobicContact CG-CZ 4.12Å; K600-F997 WeakPolarHBondContact O-CE2 3.47Å; K600-F997 WeakPolarHBondContact O-CZ 3.41Å; L970-F997 HydrophobicContact CB-CD1 3.69Å; L970-F997 HydrophobicContact CB-CE1 3.83Å; L970-F997 HydrophobicContact CD1-CE1 4Å; L970-F997 HydrophobicContact CD1-CZ 4.35Å; L970-F997 WeakPolarHBondContact O-CB 3.01Å; R972-F997 PolarHBondContact N-O 3.39Å; F984-F997 HydrophobicContact CE2-CE1 4.39Å; F984-F997 HydrophobicContact CZ-CE1 4.01Å; G995-F997 PolarHBondContact O-N 2.97Å; F997-S999 VanDerWaalsContact C-N 3.3Å; F997-S999 PolarHBondContact O-N 3.17Å; F997-S999 PolarHBondContact O-OG 3.28Å
998	C	91.6	Very high	89.9	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	44	-179.1	-47	0	0	0	0	113.4	R972 H973 C988 Y993 A994 G995	R972-C998 WeakPolarHBondContact O-CB 3.01Å; H973-C998 PolarHBondContact ND1-O 3.4Å; C988-C998 WeakPolarHBondContact CA-SG 3.48Å; C988-C998 HydrophobicContact CB-CB 3.87Å; C988-C998 WeakPolarHBondContact CB-SG 3.3Å; C988-C998 WeakPolarHBondContact SG-CA 3.26Å; C988-C998 WeakPolarHBondContact SG-CB 3.48Å; C988-C998 CovalentContact SG-SG 2.04Å; C988-C998 PolarHBondContact SG-SG 3.49Å; Y993-C998 VanDerWaalsContact CB-O 3.27Å; Y993-C998 WeakPolarHBondContact CB-O 3.13Å; A994-C998 CarbonylContact O-C 3.54Å; A994-C998 WeakPolarHBondContact O-CA 2.93Å; G995-C998 PolarHBondContact O-N 3.49Å; G995-C998 VanDerWaalsContact O-N 3.13Å
999	S	88.1	Confident	89.9	Confident	54 Å²	54	35.6 Å²	35.6	38%	0.378	21%	0.211	S	C	.	.			trans	-114	-14.3	-176.6	-61.5	0	0	0	0	114	A994 F997 E1001	A994-S999 PolarHBondContact O-N 3.05Å; A994-S999 VanDerWaalsContact O-N 3.1Å; F997-S999 VanDerWaalsContact C-N 3.3Å; F997-S999 PolarHBondContact O-N 3.17Å; F997-S999 PolarHBondContact O-OG 3.28Å; S999-E1001 PolarHBondContact O-N 3.08Å
1000	K	87.7	Confident	90.4	Very high	121 Å²	121	31.6 Å²	31.6	53%	0.526	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	114	174.5	-175.5	-169.7	173	-160.9	0	108.4	Y993 A994 E1201	Y993-K1000 CarbonylContact C-O 3.53Å; Y993-K1000 VanDerWaalsContact CA-O 3.27Å; Y993-K1000 WeakPolarHBondContact CA-O 3.28Å; A994-K1000 PolarHBondContact N-O 2.88Å; A994-K1000 WeakPolarHBondContact O-CB 3.47Å; A994-K1000 PolarHBondContact O-N 3.11Å; K1000-E1201 IonicContact NZ-OE1 3.59Å; K1000-E1201 PolarHBondContact NZ-OE1 3.43Å
1001	E	89.7	Confident	91	Very high	65 Å²	65	29.4 Å²	29.4	30%	0.304	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	140.6	173	-67.4	179	-164.2	0	0	111	Y993 S999 S1171 A1172	Y993-E1001 HydrophobicContact CD1-CG 3.87Å; Y993-E1001 HydrophobicContact CE1-CG 3.49Å; Y993-E1001 VanDerWaalsContact CE1-CG 3.49Å; S999-E1001 PolarHBondContact O-N 3.08Å; E1001-S1171 WeakPolarHBondContact CB-OG 3.43Å; E1001-S1171 PolarHBondContact OE2-OG 3.06Å; E1001-A1172 HydrophobicContact CB-CB 4.44Å; E1001-A1172 HydrophobicContact CG-CB 4.18Å
1002	I	91.3	Very high	91.2	Very high	11 Å²	11	29.3 Å²	29.3	6%	0.056	17%	0.167	C	C	.	.			trans	-90.9	122	170.3	-63.5	175.1	0	0	0	107.7	A992 A994 S1171 A1172 L1181 K1182 L1185	A992-I1002 WeakPolarHBondContact O-CB 3.28Å; A992-I1002 PolarHBondContact O-N 2.95Å; A994-I1002 HydrophobicContact CB-CD1 4.21Å; A994-I1002 HydrophobicContact CB-CG1 4.14Å; I1002-S1171 CarbonylContact O-C 3.57Å; I1002-S1171 WeakPolarHBondContact O-CA 3.33Å; I1002-A1172 PolarHBondContact O-N 2.92Å; I1002-L1181 HydrophobicContact CG2-CG 4.44Å; I1002-K1182 HydrophobicContact CD1-CB 3.58Å; I1002-K1182 HydrophobicContact CD1-CD 3.41Å; I1002-K1182 VanDerWaalsContact CD1-CD 3.41Å; I1002-K1182 HydrophobicContact CD1-CG 3.38Å; I1002-L1185 HydrophobicContact CG2-CD1 3.81Å
1003	S	93	Very high	91.3	Very high	11 Å²	11	31.3 Å²	31.3	8%	0.077	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	140.2	-167.7	-47.3	0	0	0	0	109.7	L1170 S1171 E1201 S1202	S1003-L1170 CarbonylContact C-O 3.55Å; S1003-L1170 VanDerWaalsContact CA-O 3.27Å; S1003-L1170 WeakPolarHBondContact CA-O 3.35Å; S1003-S1171 PolarHBondContact OG-OG 3.45Å; S1003-E1201 WeakPolarHBondContact O-CA 3.41Å; S1003-S1202 CarbonylContact C-O 3.43Å; S1003-S1202 WeakPolarHBondContact CB-O 3.41Å; S1003-S1202 PolarHBondContact O-N 2.95Å
1004	A	94	Very high	91.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	143.1	179.5	0	0	0	0	0	112	F1006 C1169 L1170 L1181 L1185 V1199 T1200	A1004-F1006 HydrophobicContact CB-CD2 4.48Å; A1004-F1006 HydrophobicContact CB-CE2 4.06Å; A1004-C1169 WeakPolarHBondContact O-CA 3.4Å; A1004-L1170 PolarHBondContact N-O 2.99Å; A1004-L1170 PolarHBondContact O-N 3.07Å; A1004-L1181 HydrophobicContact CB-CD1 3.63Å; A1004-L1181 HydrophobicContact CB-CD2 3.97Å; A1004-L1181 HydrophobicContact CB-CG 4.06Å; A1004-L1185 HydrophobicContact CB-CD1 3.92Å; A1004-L1185 HydrophobicContact CB-CD2 4.32Å; A1004-L1185 HydrophobicContact CB-CG 4.48Å; A1004-V1199 HydrophobicContact CB-CG1 3.93Å; A1004-T1200 CarbonylContact C-O 3.51Å; A1004-T1200 VanDerWaalsContact CA-O 3.26Å; A1004-T1200 WeakPolarHBondContact CA-O 3.48Å
1005	Y	94.8	Very high	91.3	Very high	96 Å²	96	33.1 Å²	33.1	38%	0.376	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	131.1	167.6	178	-101.2	0	0	0	110.3	G1168 V1199 T1200	Y1005-G1168 WeakPolarHBondContact CA-O 3.25Å; Y1005-G1168 WeakPolarHBondContact CD2-O 3.37Å; Y1005-V1199 WeakPolarHBondContact O-CA 3.34Å; Y1005-T1200 PolarHBondContact N-O 3.3Å; Y1005-T1200 PolarHBondContact O-N 3Å; Y1005-T1200 VanDerWaalsContact O-N 3.14Å
1006	F	96	Very high	91.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	113.7	175	-76	-113.1	0	0	0	108.9	A1004 V1012 L1145 F1166 T1167 G1168 L1170 L1181 V1199	A1004-F1006 HydrophobicContact CB-CD2 4.48Å; A1004-F1006 HydrophobicContact CB-CE2 4.06Å; F1006-V1012 HydrophobicContact CE1-CB 4.3Å; F1006-V1012 HydrophobicContact CE1-CG2 3.74Å; F1006-V1012 HydrophobicContact CZ-CB 4.34Å; F1006-V1012 HydrophobicContact CZ-CG2 3.71Å; F1006-L1145 HydrophobicContact CE1-CB 4.07Å; F1006-L1145 HydrophobicContact CZ-CB 4.1Å; F1006-L1145 HydrophobicContact CZ-CD1 4.43Å; F1006-F1166 HydrophobicContact CB-CD1 3.7Å; F1006-F1166 HydrophobicContact CB-CE1 4.14Å; F1006-F1166 HydrophobicContact CD1-CD1 4.41Å; F1006-F1166 HydrophobicContact CD2-CD1 4.18Å; F1006-F1166 HydrophobicContact CD2-CE1 4.24Å; F1006-F1166 AromaticContact CG-CD1 3.86Å; F1006-F1166 HydrophobicContact CG-CD1 3.86Å; F1006-F1166 HydrophobicContact CG-CE1 4.31Å; F1006-T1167 WeakPolarHBondContact O-CA 3.26Å; F1006-T1167 WeakPolarHBondContact O-CG2 3.37Å; F1006-G1168 PolarHBondContact N-O 2.79Å; F1006-G1168 PolarHBondContact O-N 2.79Å; F1006-L1170 HydrophobicContact CD2-CB 4.44Å; F1006-L1170 HydrophobicContact CD2-CD1 4.23Å; F1006-L1170 HydrophobicContact CD2-CG 4.44Å; F1006-L1170 HydrophobicContact CE2-CB 4.02Å; F1006-L1170 HydrophobicContact CE2-CD1 3.74Å; F1006-L1170 HydrophobicContact CE2-CG 4.2Å; F1006-L1170 HydrophobicContact CZ-CD1 3.9Å; F1006-L1181 HydrophobicContact CE2-CD1 3.82Å; F1006-L1181 HydrophobicContact CZ-CD1 3.88Å; F1006-V1199 HydrophobicContact CD1-CG2 4.06Å; F1006-V1199 HydrophobicContact CE1-CG2 4.11Å; F1006-V1199 HydrophobicContact CE2-CG1 4.2Å; F1006-V1199 HydrophobicContact CG-CG2 4.49Å; F1006-V1199 HydrophobicContact CZ-CG1 4.21Å
1007	G	92.8	Very high	90.4	Very high	7 Å²	7	35.2 Å²	35.2	7%	0.072	18%	0.184	C	C	.	.			trans	-71	164.2	169.5	0	0	0	0	0	112.1	G1009 S1010 H1198	G1007-G1009 PolarHBondContact O-N 3.12Å; G1007-S1010 VanDerWaalsContact C-OG 3.32Å; G1007-S1010 PolarHBondContact N-OG 2.99Å; G1007-S1010 VanDerWaalsContact O-CB 3.28Å; G1007-S1010 WeakPolarHBondContact O-CB 3.35Å; G1007-S1010 PolarHBondContact O-N 3.27Å; G1007-S1010 VanDerWaalsContact O-N 3.09Å; G1007-S1010 PolarHBondContact O-OG 2.95Å; G1007-H1198 PolarHBondContact N-O 3.3Å
1008	S	90.7	Very high	88.8	Confident	88 Å²	88	41.9 Å²	41.9	62%	0.615	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	128.2	178.9	-169.6	0	0	0	0	111.4	S1010 R1052	S1008-S1010 VanDerWaalsContact C-N 3.33Å; S1008-R1052 PolarHBondContact OG-NH1 3.07Å
1009	G	90.8	Very high	86.6	Confident	21 Å²	21	48.6 Å²	48.6	22%	0.216	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	1.1	-179.9	0	0	0	0	0	115.7	G1007	G1007-G1009 PolarHBondContact O-N 3.12Å
1010	S	94.4	Very high	84.2	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.007	27%	0.27	C	S	.	.			trans	-79.5	154.3	-179.2	-42.3	0	0	0	0	112.4	G1007 S1008 R1147 T1196 H1198	G1007-S1010 VanDerWaalsContact C-OG 3.32Å; G1007-S1010 PolarHBondContact N-OG 2.99Å; G1007-S1010 VanDerWaalsContact O-CB 3.28Å; G1007-S1010 WeakPolarHBondContact O-CB 3.35Å; G1007-S1010 PolarHBondContact O-N 3.27Å; G1007-S1010 VanDerWaalsContact O-N 3.09Å; G1007-S1010 PolarHBondContact O-OG 2.95Å; S1008-S1010 VanDerWaalsContact C-N 3.33Å; S1010-R1147 PolarHBondContact O-N 3.18Å; S1010-T1196 CarbonylContact C-O 3.55Å; S1010-T1196 WeakPolarHBondContact CA-O 3.5Å; S1010-T1196 WeakPolarHBondContact CB-O 3.41Å; S1010-H1198 PolarHBondContact OG-N 3.46Å; S1010-H1198 PolarHBondContact OG-O 3.36Å
1011	S	94.3	Very high	82	Confident	5 Å²	5	55.3 Å²	55.3	4%	0.035	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	154.1	173.4	74.4	0	0	0	0	113.4	L1145 R1147 V1195 T1196	S1011-L1145 CarbonylContact C-O 3.56Å; S1011-L1145 WeakPolarHBondContact CA-O 3.17Å; S1011-L1145 WeakPolarHBondContact CB-O 3.49Å; S1011-R1147 WeakPolarHBondContact CB-O 3.37Å; S1011-R1147 PolarHBondContact OG-O 2.85Å; S1011-V1195 WeakPolarHBondContact O-CA 3.29Å; S1011-T1196 PolarHBondContact N-O 2.89Å; S1011-T1196 PolarHBondContact O-N 2.66Å; S1011-T1196 PolarHBondContact OG-OG1 2.83Å
1012	V	94.1	Very high	79.7	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	121.8	170.5	174	0	0	0	0	107.4	F1006 V1144 L1145 A1184 V1193 V1195 V1199	F1006-V1012 HydrophobicContact CE1-CB 4.3Å; F1006-V1012 HydrophobicContact CE1-CG2 3.74Å; F1006-V1012 HydrophobicContact CZ-CB 4.34Å; F1006-V1012 HydrophobicContact CZ-CG2 3.71Å; V1012-V1144 CarbonylContact O-C 3.57Å; V1012-V1144 WeakPolarHBondContact O-CA 3.4Å; V1012-L1145 HydrophobicContact CB-CB 4.28Å; V1012-L1145 HydrophobicContact CB-CD1 4.46Å; V1012-L1145 PolarHBondContact N-O 3.11Å; V1012-L1145 PolarHBondContact O-N 3.32Å; V1012-A1184 HydrophobicContact CG1-CB 3.69Å; V1012-A1184 HydrophobicContact CG2-CB 4.08Å; V1012-V1193 HydrophobicContact CG1-CG1 3.78Å; V1012-V1195 HydrophobicContact CG2-CG1 4.44Å; V1012-V1195 HydrophobicContact CG2-CG2 4.38Å; V1012-V1199 HydrophobicContact CG2-CG1 4.16Å; V1012-V1199 HydrophobicContact CG2-CG2 4.13Å
1013	I	93	Very high	77.3	Confident	44 Å²	44	63.8 Å²	63.8	23%	0.226	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	117.8	-179.1	-53.8	178	0	0	0	108.4	L1143 V1144 V1193 T1194	I1013-L1143 CarbonylContact C-O 3.52Å; I1013-L1143 WeakPolarHBondContact CA-O 3.31Å; I1013-V1144 HydrophobicContact CG1-CG1 4.25Å; I1013-V1144 HydrophobicContact CG1-CG2 4.16Å; I1013-V1144 HydrophobicContact CG2-CG2 4.21Å; I1013-V1193 CarbonylContact O-C 3.58Å; I1013-V1193 WeakPolarHBondContact O-CA 3.05Å; I1013-T1194 PolarHBondContact N-O 3.24Å; I1013-T1194 PolarHBondContact O-N 3.18Å
1014	Y	90.9	Very high	74.9	Confident	43 Å²	43	72.8 Å²	72.8	17%	0.169	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	121.8	171.6	-172.6	-77.8	0	0	0	109.6	F1016 S1142 L1143 I1178 P1180 A1183 P1192 V1193	Y1014-F1016 HydrophobicContact CE1-CD1 4.27Å; Y1014-S1142 CarbonylContact O-C 3.48Å; Y1014-S1142 VanDerWaalsContact O-CA 3.23Å; Y1014-S1142 WeakPolarHBondContact O-CA 3.45Å; Y1014-S1142 WeakPolarHBondContact O-CB 3.06Å; Y1014-L1143 PolarHBondContact N-O 3.11Å; Y1014-L1143 PolarHBondContact O-N 3.49Å; Y1014-I1178 HydrophobicContact CD1-CG2 4.18Å; Y1014-I1178 HydrophobicContact CD2-CG2 4.02Å; Y1014-I1178 HydrophobicContact CE1-CD1 4.15Å; Y1014-I1178 HydrophobicContact CE1-CG2 3.84Å; Y1014-I1178 HydrophobicContact CE2-CG2 3.66Å; Y1014-I1178 HydrophobicContact CG-CG2 4.29Å; Y1014-P1180 HydrophobicContact CD2-CB 4.33Å; Y1014-P1180 HydrophobicContact CG-CB 4.5Å; Y1014-A1183 HydrophobicContact CD2-CB 4.45Å; Y1014-A1183 HydrophobicContact CE2-CB 4.31Å; Y1014-P1192 HydrophobicContact CE1-CG 4.26Å; Y1014-P1192 HydrophobicContact CE2-CG 4.03Å; Y1014-V1193 HydrophobicContact CD2-CG2 3.48Å; Y1014-V1193 VanDerWaalsContact CD2-CG2 3.48Å; Y1014-V1193 HydrophobicContact CE2-CG2 4.12Å; Y1014-V1193 HydrophobicContact CG-CG2 4.29Å
1015	N	89	Confident	72.5	Confident	47 Å²	47	79.1 Å²	79.1	25%	0.251	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.9	178.8	-61.8	-53.3	0	0	0	110	S1142 P1192	N1015-S1142 WeakPolarHBondContact OD1-CB 3.28Å; N1015-P1192 HydrophobicContact CB-CB 4.38Å; N1015-P1192 PolarHBondContact N-O 2.8Å; N1015-P1192 VanDerWaalsContact O-CB 3.3Å; N1015-P1192 WeakPolarHBondContact O-CB 3.4Å; N1015-P1192 WeakPolarHBondContact O-CG 3.2Å
1016	F	82.2	Confident	70.1	Confident	42 Å²	42	79 Å²	79	18%	0.184	43%	0.425	C	S	.	.	S	Bend	trans	-81.8	-21.3	-178.2	-70.6	-92.2	0	0	0	113.3	Y1014 M1037 M1060 V1140 K1141 L1143 F1175 I1178	Y1014-F1016 HydrophobicContact CE1-CD1 4.27Å; F1016-M1037 HydrophobicContact CB-CE 4.15Å; F1016-M1037 HydrophobicContact CD1-CE 3.33Å; F1016-M1037 HydrophobicContact CD1-SD 4.22Å; F1016-M1037 HydrophobicContact CD2-CE 4.48Å; F1016-M1037 HydrophobicContact CE1-CE 3.67Å; F1016-M1037 HydrophobicContact CG-CE 3.77Å; F1016-M1037 HydrophobicContact CZ-CE 4.42Å; F1016-M1060 HydrophobicContact CE2-SD 4.48Å; F1016-M1060 HydrophobicContact CZ-SD 4.25Å; F1016-V1140 HydrophobicContact CD2-CG1 3.68Å; F1016-V1140 HydrophobicContact CE2-CG1 3.61Å; F1016-V1140 HydrophobicContact CG-CG1 4.33Å; F1016-V1140 HydrophobicContact CZ-CG1 4.19Å; F1016-K1141 PolarHBondContact N-O 3.19Å; F1016-K1141 VanDerWaalsContact N-O 3.09Å; F1016-L1143 HydrophobicContact CE2-CB 3.86Å; F1016-L1143 HydrophobicContact CZ-CB 4.28Å; F1016-F1175 HydrophobicContact CE1-CD1 4.23Å; F1016-F1175 HydrophobicContact CE1-CE1 4.27Å; F1016-F1175 HydrophobicContact CZ-CD1 4.04Å; F1016-F1175 HydrophobicContact CZ-CE1 4.13Å; F1016-I1178 HydrophobicContact CD1-CD1 3.78Å; F1016-I1178 HydrophobicContact CE1-CD1 3.25Å; F1016-I1178 HydrophobicContact CZ-CD1 4.21Å
1017	Q	71	Confident	68	Low	55 Å²	55	81.3 Å²	81.3	26%	0.257	44%	0.442	S	S	.	.	S	Bend	trans	-98.4	132.9	175.4	-75.9	176.4	-21.3	0	0	110.5	H1034	Q1017-H1034 VanDerWaalsContact NE2-CB 3.31Å; Q1017-H1034 PolarHBondContact NE2-CD2 2.65Å; Q1017-H1034 VanDerWaalsContact NE2-CD2 3.32Å; Q1017-H1034 VanDerWaalsContact NE2-CG 3.33Å
1018	E	55.6	Low	65.8	Low	169 Å²	169	86 Å²	86	79%	0.79	46%	0.46	S	S	*	.			trans	-61.4	147.6	174.4	-86.9	-175.3	157.9	0	0	111.9	Y1020	E1018-Y1020 PolarHBondContact O-N 3.17Å
1019	N	45	Very low	63.9	Low	140 Å²	140	88.2 Å²	88.2	75%	0.749	46%	0.46	S	S	*	.			trans	-57.1	72.4	174.8	-77.4	-30	0	0	0	113.1
1020	Y	38.4	Very low	61.9	Low	194 Å²	194	88.6 Å²	88.6	76%	0.761	46%	0.462	S	S	*	.			trans	-79	128.6	150.6	-88.6	-83.1	0	0	0	108.5	E1018 L1022	E1018-Y1020 PolarHBondContact O-N 3.17Å; Y1020-L1022 PolarHBondContact O-N 2.01Å
1021	S	41.6	Very low	59.7	Low	122 Å²	122	88.6 Å²	88.6	85%	0.853	46%	0.462	S	S	*	.			trans	-32.3	107.4	-179	-73.5	0	0	0	0	112.2	S1023	S1021-S1023 VanDerWaalsContact C-N 3.34Å; S1021-S1023 PolarHBondContact O-N 3.17Å
1022	L	40.2	Very low	57.5	Low	151 Å²	151	92.5 Å²	92.5	79%	0.791	49%	0.489	S	S	*	.			trans	-50	95	172.7	-83	142.8	0	0	0	109.9	Y1020 K1024	Y1020-L1022 PolarHBondContact O-N 2.01Å; L1022-K1024 PolarHBondContact O-N 2.79Å
1023	S	41.6	Very low	55.3	Low	103 Å²	103	100.7 Å²	100.7	72%	0.72	53%	0.525	S	S	*	.			trans	-66.2	119.4	144.2	67.2	0	0	0	0	105.5	S1021 N1025	S1021-S1023 VanDerWaalsContact C-N 3.34Å; S1021-S1023 PolarHBondContact O-N 3.17Å; S1023-N1025 PolarHBondContact O-N 3.04Å
1024	K	43.5	Very low	53.3	Low	200 Å²	200	102.2 Å²	102.2	87%	0.87	53%	0.531	S	S	*	.	S	Bend	trans	-63.7	14.3	-164.9	-91.4	-178.9	173	179.3	0	116.6	L1022	L1022-K1024 PolarHBondContact O-N 2.79Å
1025	N	42.4	Very low	51.5	Low	133 Å²	133	103.9 Å²	103.9	71%	0.711	56%	0.561	S	S	*	*			trans	-113.4	96.2	-179.2	-76.8	-11.5	0	0	0	110.7	S1023 S1027	S1023-N1025 PolarHBondContact O-N 3.04Å; N1025-S1027 PolarHBondContact O-N 3.37Å
1026	S	45	Very low	50.1	Low	94 Å²	94	104.5 Å²	104.5	66%	0.657	57%	0.565	S	S	*	*			trans	-65.9	70.7	168.8	63.3	0	0	0	0	110.4
1027	S	51.2	Low	49.8	Very low	49 Å²	49	105.8 Å²	105.8	34%	0.343	57%	0.572	S	S	.	*			trans	-96.2	156.2	178	71.6	0	0	0	0	110.3	N1025 H1029 A1030	N1025-S1027 PolarHBondContact O-N 3.37Å; S1027-H1029 PolarHBondContact O-N 2.04Å; S1027-A1030 WeakPolarHBondContact O-CB 3.28Å; S1027-A1030 PolarHBondContact O-N 3.32Å
1028	F	47.8	Very low	50.4	Low	105 Å²	105	108.7 Å²	108.7	46%	0.461	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-49.4	-23.4	172.3	-73.3	-89.7	0	0	0	113.5	A1030 A1031 Y1064	F1028-A1030 VanDerWaalsContact C-N 3.26Å; F1028-A1030 PolarHBondContact O-N 2.85Å; F1028-A1031 PolarHBondContact O-N 2.87Å; F1028-Y1064 AromaticContact CD1-CD1 3.92Å; F1028-Y1064 HydrophobicContact CD1-CD1 3.92Å; F1028-Y1064 HydrophobicContact CD1-CE1 4.26Å; F1028-Y1064 HydrophobicContact CE1-CD1 4.07Å
1029	H	49	Very low	52	Low	134 Å²	134	102 Å²	102	62%	0.62	55%	0.553	S	S	*	*	H	α-helix	trans	-66.2	-24.6	176.8	-67.8	-67.4	0	0	0	113.8	S1027 A1031 S1032 F1033	S1027-H1029 PolarHBondContact O-N 2.04Å; H1029-A1031 VanDerWaalsContact C-N 3.3Å; H1029-A1031 PolarHBondContact O-N 3.03Å; H1029-S1032 WeakPolarHBondContact CA-OG 3.32Å; H1029-S1032 PolarHBondContact O-N 3.44Å; H1029-S1032 PolarHBondContact O-OG 3.34Å; H1029-F1033 VanDerWaalsContact O-CD2 3.23Å; H1029-F1033 WeakPolarHBondContact O-CD2 3.28Å
1030	A	48.7	Very low	54.1	Low	30 Å²	30	96.8 Å²	96.8	25%	0.248	53%	0.528	C	S	.	.	H	α-helix	trans	-62.6	-38.9	176	0	0	0	0	0	111.2	S1027 F1028 S1032 F1033 H1034	S1027-A1030 WeakPolarHBondContact O-CB 3.28Å; S1027-A1030 PolarHBondContact O-N 3.32Å; F1028-A1030 VanDerWaalsContact C-N 3.26Å; F1028-A1030 PolarHBondContact O-N 2.85Å; A1030-S1032 VanDerWaalsContact C-N 3.33Å; A1030-S1032 PolarHBondContact O-N 3.28Å; A1030-F1033 PolarHBondContact O-N 2.96Å; A1030-H1034 PolarHBondContact O-CD2 3.04Å
1031	A	49.1	Very low	56.7	Low	1 Å²	1	96.1 Å²	96.1	1%	0.008	52%	0.524	C	S	.	.	H	α-helix	trans	-59.3	-43.3	177.6	0	0	0	0	0	111.7	F1028 H1029 F1033 H1034 F1063 Y1064 A1139	F1028-A1031 PolarHBondContact O-N 2.87Å; H1029-A1031 VanDerWaalsContact C-N 3.3Å; H1029-A1031 PolarHBondContact O-N 3.03Å; A1031-F1033 PolarHBondContact O-N 3.18Å; A1031-F1033 VanDerWaalsContact O-N 3.13Å; A1031-H1034 PolarHBondContact O-N 3.36Å; A1031-F1063 HydrophobicContact CB-CB 4.42Å; A1031-Y1064 HydrophobicContact CB-CE1 4.1Å; A1031-A1139 HydrophobicContact CB-CB 4.36Å
1032	S	49.1	Very low	59.2	Low	86 Å²	86	90.6 Å²	90.6	60%	0.601	48%	0.484	S	S	*	.	H	α-helix	trans	-64.7	-17.2	-178.2	30.2	0	0	0	0	115.8	H1029 A1030	H1029-S1032 WeakPolarHBondContact CA-OG 3.32Å; H1029-S1032 PolarHBondContact O-N 3.44Å; H1029-S1032 PolarHBondContact O-OG 3.34Å; A1030-S1032 VanDerWaalsContact C-N 3.33Å; A1030-S1032 PolarHBondContact O-N 3.28Å
1033	F	47.8	Very low	61.8	Low	172 Å²	172	85.7 Å²	85.7	75%	0.754	46%	0.458	S	S	*	.	H	α-helix	trans	-91.7	-11.3	174.8	-72.1	-73.3	0	0	0	113.4	H1029 A1030 A1031	H1029-F1033 VanDerWaalsContact O-CD2 3.23Å; H1029-F1033 WeakPolarHBondContact O-CD2 3.28Å; A1030-F1033 PolarHBondContact O-N 2.96Å; A1031-F1033 PolarHBondContact O-N 3.18Å; A1031-F1033 VanDerWaalsContact O-N 3.13Å
1034	H	51.4	Low	64.3	Low	77 Å²	77	80.8 Å²	80.8	36%	0.356	42%	0.424	S	S	.	.	S	Bend	trans	-111.7	143.2	-177.2	-66.3	-63.5	0	0	0	109.5	Q1017 A1030 A1031 D1036	Q1017-H1034 VanDerWaalsContact NE2-CB 3.31Å; Q1017-H1034 PolarHBondContact NE2-CD2 2.65Å; Q1017-H1034 VanDerWaalsContact NE2-CD2 3.32Å; Q1017-H1034 VanDerWaalsContact NE2-CG 3.33Å; A1030-H1034 PolarHBondContact O-CD2 3.04Å; A1031-H1034 PolarHBondContact O-N 3.36Å; H1034-D1036 PolarHBondContact O-N 3.48Å
1035	G	51.8	Low	66.8	Low	78 Å²	78	74.8 Å²	74.8	80%	0.804	40%	0.398	S	S	*	.			trans	-57.8	111.7	168	0	0	0	0	0	108	M1037	G1035-M1037 PolarHBondContact O-N 2.82Å
1036	D	60.5	Low	69.3	Low	60 Å²	60	68.7 Å²	68.7	32%	0.321	37%	0.365	S	S	.	.			trans	-54.1	111.9	-179.2	-78.8	-38.2	0	0	0	108.9	H1034 K1038	H1034-D1036 PolarHBondContact O-N 3.48Å; D1036-K1038 HydrophobicContact CB-CD 4.19Å; D1036-K1038 HydrophobicContact CB-CG 3.99Å; D1036-K1038 PolarHBondContact O-N 3.44Å
1037	M	74.8	Confident	71.7	Confident	68 Å²	68	64.5 Å²	64.5	34%	0.335	34%	0.336	S	S	.	.			trans	-70.2	101	171.2	-166.8	169.2	76.7	0	0	107.3	F1016 G1035 L1039 A1139 V1140	F1016-M1037 HydrophobicContact CB-CE 4.15Å; F1016-M1037 HydrophobicContact CD1-CE 3.33Å; F1016-M1037 HydrophobicContact CD1-SD 4.22Å; F1016-M1037 HydrophobicContact CD2-CE 4.48Å; F1016-M1037 HydrophobicContact CE1-CE 3.67Å; F1016-M1037 HydrophobicContact CG-CE 3.77Å; F1016-M1037 HydrophobicContact CZ-CE 4.42Å; G1035-M1037 PolarHBondContact O-N 2.82Å; M1037-L1039 HydrophobicContact CE-CD1 4.34Å; M1037-L1039 HydrophobicContact CG-CD2 4.34Å; M1037-A1139 PolarHBondContact O-N 3.14Å; M1037-A1139 VanDerWaalsContact O-N 3.1Å; M1037-V1140 HydrophobicContact CE-CB 3.66Å; M1037-V1140 HydrophobicContact CE-CG1 4.06Å; M1037-V1140 HydrophobicContact CE-CG2 4.14Å
1038	K	83.8	Confident	73.8	Confident	117 Å²	117	62.2 Å²	62.2	51%	0.509	32%	0.319	S	S	.	.			trans	-101.2	111.6	-178	-72.3	166.7	159.8	-122.1	0	109.2	D1036 E1136	D1036-K1038 HydrophobicContact CB-CD 4.19Å; D1036-K1038 HydrophobicContact CB-CG 3.99Å; D1036-K1038 PolarHBondContact O-N 3.44Å; K1038-E1136 HydrophobicContact CB-CG 4.39Å; K1038-E1136 WeakPolarHBondContact CB-OE1 3.49Å; K1038-E1136 WeakPolarHBondContact CD-OE1 3.22Å; K1038-E1136 WeakPolarHBondContact CE-OE1 3.41Å; K1038-E1136 WeakPolarHBondContact CG-OE1 3.43Å; K1038-E1136 IonicContact NZ-OE1 2.94Å; K1038-E1136 PolarHBondContact NZ-OE1 3.07Å
1039	L	88.6	Confident	76.1	Confident	27 Å²	27	61.5 Å²	61.5	14%	0.141	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-102.5	109	177.9	-58.9	178.3	0	0	0	108.9	M1037 R1112 F1137 V1140 F1175	M1037-L1039 HydrophobicContact CE-CD1 4.34Å; M1037-L1039 HydrophobicContact CG-CD2 4.34Å; L1039-R1112 PolarHBondContact O-NH2 3.07Å; L1039-F1137 HydrophobicContact CB-CB 4.29Å; L1039-F1137 HydrophobicContact CD1-CD1 4.42Å; L1039-F1137 PolarHBondContact N-O 3.13Å; L1039-F1137 PolarHBondContact O-N 2.73Å; L1039-V1140 HydrophobicContact CD1-CG2 3.86Å; L1039-V1140 HydrophobicContact CG-CG2 4.31Å; L1039-F1175 HydrophobicContact CD1-CE1 3.98Å; L1039-F1175 HydrophobicContact CD1-CZ 3.71Å
1040	S	90.8	Very high	78.3	Confident	31 Å²	31	55.3 Å²	55.3	22%	0.217	29%	0.286	C	S	.	.	S	Bend	trans	-94.1	-8.9	165.8	85.4	0	0	0	0	112.3	R1112 E1114	S1040-R1112 PolarHBondContact O-NH1 3.3Å; S1040-E1114 WeakPolarHBondContact CB-OE1 3.44Å; S1040-E1114 WeakPolarHBondContact O-CA 3.49Å; S1040-E1114 PolarHBondContact O-N 3.13Å; S1040-E1114 PolarHBondContact OG-OE1 3.31Å
1041	R	93.4	Very high	80.4	Confident	181 Å²	181	59.2 Å²	59.2	68%	0.683	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.5	147.3	176.3	70.9	-173.6	90.7	179.7	6	111.3	R1112	R1041-R1112 WeakPolarHBondContact CA-O 3.41Å; R1041-R1112 WeakPolarHBondContact CB-O 3.26Å
1042	E	93.4	Very high	82.6	Confident	5 Å²	5	64.1 Å²	64.1	2%	0.023	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	156.4	171.3	70.3	-79.9	177.7	0	0	111.5	I1044 Y1082 N1111 R1112 F1175	E1042-I1044 HydrophobicContact CG-CD1 4.41Å; E1042-I1044 HydrophobicContact CG-CG1 4.25Å; E1042-Y1082 VanDerWaalsContact OE1-CE1 3.25Å; E1042-Y1082 WeakPolarHBondContact OE1-CE1 3.37Å; E1042-Y1082 PolarHBondContact OE1-OH 3.16Å; E1042-N1111 WeakPolarHBondContact O-CA 3.46Å; E1042-R1112 PolarHBondContact N-O 3.36Å; E1042-R1112 VanDerWaalsContact N-O 3.14Å; E1042-R1112 PolarHBondContact O-N 2.83Å; E1042-R1112 VanDerWaalsContact OE1-CB 3.25Å; E1042-R1112 WeakPolarHBondContact OE1-CB 3.31Å; E1042-R1112 WeakPolarHBondContact OE1-CD 3.25Å; E1042-R1112 IonicContact OE1-CZ 3.76Å; E1042-R1112 IonicContact OE1-NE 2.77Å; E1042-R1112 PolarHBondContact OE1-NE 3.45Å; E1042-R1112 IonicContact OE1-NH2 3.87Å; E1042-R1112 IonicContact OE2-CZ 3.15Å; E1042-R1112 IonicContact OE2-NE 2.89Å; E1042-R1112 PolarHBondContact OE2-NE 3.43Å; E1042-R1112 IonicContact OE2-NH2 2.67Å; E1042-R1112 PolarHBondContact OE2-NH2 2.92Å; E1042-F1175 HydrophobicContact CB-CE2 3.75Å; E1042-F1175 HydrophobicContact CB-CZ 3.72Å; E1042-F1175 HydrophobicContact CG-CE2 3.78Å; E1042-F1175 HydrophobicContact CG-CZ 4.13Å
1043	M	93.6	Very high	84.7	Confident	48 Å²	48	62 Å²	62	24%	0.236	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	126.3	173.1	178.3	-98.3	-68.4	0	0	109	K1045 I1110 S1176	M1043-K1045 HydrophobicContact CE-CD 4.49Å; M1043-K1045 HydrophobicContact SD-CB 4.43Å; M1043-K1045 HydrophobicContact SD-CD 3.44Å; M1043-K1045 WeakPolarHBondContact SD-CD 3.46Å; M1043-K1045 WeakPolarHBondContact SD-CE 3.46Å; M1043-K1045 HydrophobicContact SD-CG 3.61Å; M1043-I1110 CarbonylContact C-O 3.57Å; M1043-I1110 WeakPolarHBondContact CA-O 3.39Å; M1043-S1176 PolarHBondContact N-OG 3.23Å; M1043-S1176 PolarHBondContact O-N 3.1Å
1044	I	95.9	Very high	87	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	126.5	-179.4	-44.1	-172.4	0	0	0	107.6	E1042 F1046 L1058 M1060 L1068 I1070 K1109 I1110 Q1174 F1175	E1042-I1044 HydrophobicContact CG-CD1 4.41Å; E1042-I1044 HydrophobicContact CG-CG1 4.25Å; I1044-F1046 HydrophobicContact CG2-CD1 4.12Å; I1044-F1046 HydrophobicContact CG2-CE1 4.31Å; I1044-L1058 HydrophobicContact CG2-CD1 3.94Å; I1044-M1060 HydrophobicContact CD1-CE 4.47Å; I1044-L1068 HydrophobicContact CD1-CD2 3.33Å; I1044-I1070 HydrophobicContact CD1-CD1 4.41Å; I1044-I1070 HydrophobicContact CG2-CD1 4.26Å; I1044-K1109 CarbonylContact O-C 3.54Å; I1044-K1109 WeakPolarHBondContact O-CA 3.33Å; I1044-I1110 HydrophobicContact CB-CB 4.2Å; I1044-I1110 PolarHBondContact N-O 2.04Å; I1044-I1110 PolarHBondContact O-N 3.49Å; I1044-Q1174 WeakPolarHBondContact CA-O 2.94Å; I1044-F1175 HydrophobicContact CD1-CD2 3.98Å; I1044-F1175 HydrophobicContact CD1-CE2 3.97Å; I1044-F1175 HydrophobicContact CG1-CD2 3.77Å; I1044-F1175 HydrophobicContact CG1-CE2 3.95Å
1045	K	94.9	Very high	89.1	Confident	74 Å²	74	50.8 Å²	50.8	32%	0.322	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	136.5	175.5	-71.6	173.7	-175.5	170.2	0	109.2	M1043 I1108 K1109 A1172 Q1174	M1043-K1045 HydrophobicContact CE-CD 4.49Å; M1043-K1045 HydrophobicContact SD-CB 4.43Å; M1043-K1045 HydrophobicContact SD-CD 3.44Å; M1043-K1045 WeakPolarHBondContact SD-CD 3.46Å; M1043-K1045 WeakPolarHBondContact SD-CE 3.46Å; M1043-K1045 HydrophobicContact SD-CG 3.61Å; K1045-I1108 VanDerWaalsContact CA-O 3.31Å; K1045-I1108 WeakPolarHBondContact CA-O 3.48Å; K1045-K1109 HydrophobicContact CD-CD 4.43Å; K1045-K1109 HydrophobicContact CD-CG 4.38Å; K1045-K1109 HydrophobicContact CG-CB 4.07Å; K1045-K1109 HydrophobicContact CG-CD 4.37Å; K1045-K1109 HydrophobicContact CG-CG 3.82Å; K1045-A1172 VanDerWaalsContact O-O 3.07Å; K1045-Q1174 PolarHBondContact N-O 3.47Å; K1045-Q1174 PolarHBondContact O-N 3.28Å
1046	F	95.9	Very high	91.2	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.026	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167	161.1	170	62.9	-79.5	0	0	0	109.3	I1044 F1048 L1057 I1070 I1108 L1170 S1171 V1173	I1044-F1046 HydrophobicContact CG2-CD1 4.12Å; I1044-F1046 HydrophobicContact CG2-CE1 4.31Å; F1046-F1048 HydrophobicContact CD2-CB 4.28Å; F1046-F1048 HydrophobicContact CD2-CD1 4.17Å; F1046-F1048 HydrophobicContact CE2-CB 4.26Å; F1046-F1048 AromaticContact CE2-CD1 3.59Å; F1046-F1048 HydrophobicContact CE2-CD1 3.59Å; F1046-F1048 HydrophobicContact CE2-CE1 4.36Å; F1046-F1048 HydrophobicContact CE2-CG 4.27Å; F1046-L1057 HydrophobicContact CE2-CB 4.03Å; F1046-L1057 HydrophobicContact CE2-CD1 4.01Å; F1046-L1057 HydrophobicContact CE2-CG 4.42Å; F1046-L1057 HydrophobicContact CZ-CB 4.14Å; F1046-L1057 HydrophobicContact CZ-CD1 4.16Å; F1046-I1070 HydrophobicContact CE1-CD1 3.78Å; F1046-I1070 HydrophobicContact CZ-CD1 4.25Å; F1046-I1070 HydrophobicContact CZ-CG2 4.05Å; F1046-I1108 HydrophobicContact CD1-CB 4.32Å; F1046-I1108 HydrophobicContact CE1-CB 3.95Å; F1046-I1108 HydrophobicContact CE1-CG2 3.95Å; F1046-I1108 HydrophobicContact CE2-CB 4.44Å; F1046-I1108 HydrophobicContact CE2-CG1 4.25Å; F1046-I1108 HydrophobicContact CZ-CB 4.02Å; F1046-I1108 HydrophobicContact CZ-CG1 4.08Å; F1046-I1108 HydrophobicContact CZ-CG2 4.19Å; F1046-I1108 PolarHBondContact N-O 3.47Å; F1046-I1108 PolarHBondContact O-N 2.82Å; F1046-L1170 HydrophobicContact CD2-CD2 4.01Å; F1046-L1170 HydrophobicContact CE2-CD2 4.41Å; F1046-S1171 WeakPolarHBondContact CA-O 3.34Å; F1046-V1173 HydrophobicContact CB-CB 4.21Å; F1046-V1173 HydrophobicContact CB-CG1 4.3Å; F1046-V1173 HydrophobicContact CB-CG2 3.9Å
1047	S	94.9	Very high	92.9	Very high	6 Å²	6	44.3 Å²	44.3	4%	0.042	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	148.8	166.4	-45.6	0	0	0	0	109.9	H1106 H1107 L1170 S1171	S1047-H1106 CarbonylContact C-O 3.58Å; S1047-H1106 WeakPolarHBondContact CA-O 3.48Å; S1047-H1106 VanDerWaalsContact CB-O 3.31Å; S1047-H1106 WeakPolarHBondContact CB-O 3.34Å; S1047-H1107 PolarHBondContact OG-CD2 3.14Å; S1047-H1107 PolarHBondContact OG-NE2 2.79Å; S1047-L1170 WeakPolarHBondContact O-CA 3.3Å; S1047-S1171 PolarHBondContact N-O 3.13Å; S1047-S1171 PolarHBondContact O-N 3.05Å
1048	F	95.7	Very high	94	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	154.5	177.8	75.7	-87.3	0	0	0	112.3	F1046 T1050 L1057 I1072 L1078 M1100 H1106 I1108 F1166 C1169 L1170	F1046-F1048 HydrophobicContact CD2-CB 4.28Å; F1046-F1048 HydrophobicContact CD2-CD1 4.17Å; F1046-F1048 HydrophobicContact CE2-CB 4.26Å; F1046-F1048 AromaticContact CE2-CD1 3.59Å; F1046-F1048 HydrophobicContact CE2-CD1 3.59Å; F1046-F1048 HydrophobicContact CE2-CE1 4.36Å; F1046-F1048 HydrophobicContact CE2-CG 4.27Å; F1048-T1050 HydrophobicContact CD2-CG2 4.09Å; F1048-T1050 HydrophobicContact CE2-CG2 4.17Å; F1048-L1057 HydrophobicContact CB-CD2 3.97Å; F1048-L1057 HydrophobicContact CD1-CD1 3.89Å; F1048-L1057 HydrophobicContact CD1-CD2 4.29Å; F1048-L1057 HydrophobicContact CD2-CD1 4.29Å; F1048-L1057 HydrophobicContact CD2-CD2 3.78Å; F1048-L1057 HydrophobicContact CE1-CD1 3.74Å; F1048-L1057 HydrophobicContact CE2-CD1 4.19Å; F1048-L1057 HydrophobicContact CE2-CD2 4.35Å; F1048-L1057 HydrophobicContact CG-CD1 4.14Å; F1048-L1057 HydrophobicContact CG-CD2 3.74Å; F1048-L1057 HydrophobicContact CZ-CD1 3.89Å; F1048-I1072 HydrophobicContact CD2-CD1 4.29Å; F1048-I1072 HydrophobicContact CE2-CD1 3.55Å; F1048-I1072 HydrophobicContact CE2-CG1 4.39Å; F1048-I1072 HydrophobicContact CZ-CD1 4.16Å; F1048-L1078 HydrophobicContact CE1-CD1 4.43Å; F1048-L1078 HydrophobicContact CZ-CD1 4.42Å; F1048-M1100 HydrophobicContact CE2-CB 4.38Å; F1048-M1100 WeakPolarHBondContact CE2-O 3.11Å; F1048-M1100 HydrophobicContact CZ-CB 3.96Å; F1048-H1106 HydrophobicContact CD1-CB 4.12Å; F1048-H1106 HydrophobicContact CE1-CB 3.71Å; F1048-H1106 HydrophobicContact CE2-CB 4.45Å; F1048-H1106 HydrophobicContact CZ-CB 3.9Å; F1048-H1106 PolarHBondContact N-O 2.04Å; F1048-H1106 PolarHBondContact O-N 2.88Å; F1048-I1108 HydrophobicContact CD1-CG1 4Å; F1048-I1108 HydrophobicContact CE1-CD1 4.03Å; F1048-I1108 HydrophobicContact CE1-CG1 3.67Å; F1048-F1166 HydrophobicContact CB-CZ 4.4Å; F1048-C1169 CarbonylContact C-O 3.57Å; F1048-C1169 VanDerWaalsContact CA-O 3.26Å; F1048-C1169 WeakPolarHBondContact CA-O 3.19Å; F1048-L1170 HydrophobicContact CB-CD2 3.61Å
1049	R	94.7	Very high	94.6	Very high	90 Å²	90	35.8 Å²	35.8	34%	0.34	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	123.2	174.1	178.4	177.6	-177	-169.7	1	109.5	G1103 Q1104 L1105 G1168 C1169	R1049-G1103 WeakPolarHBondContact CG-O 3.35Å; R1049-G1103 PolarHBondContact NE-O 3.19Å; R1049-G1103 PolarHBondContact NH2-O 2.76Å; R1049-Q1104 WeakPolarHBondContact CA-O 3.47Å; R1049-Q1104 WeakPolarHBondContact CG-O 3.4Å; R1049-L1105 HydrophobicContact CB-CD1 4.22Å; R1049-G1168 CarbonylContact O-C 3.58Å; R1049-G1168 VanDerWaalsContact O-CA 3.25Å; R1049-G1168 WeakPolarHBondContact O-CA 3.44Å; R1049-C1169 HydrophobicContact CB-CB 4.44Å; R1049-C1169 PolarHBondContact N-O 2.03Å; R1049-C1169 PolarHBondContact O-N 3.05Å
1050	T	95.1	Very high	94.8	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.031	17%	0.165	C	C	.	.			trans	-155	157.6	177.2	-173.4	0	0	0	0	111.5	F1048 R1052 I1072 A1101 D1102 G1103 F1166 T1167	F1048-T1050 HydrophobicContact CD2-CG2 4.09Å; F1048-T1050 HydrophobicContact CE2-CG2 4.17Å; T1050-R1052 PolarHBondContact OG1-N 3.21Å; T1050-R1052 VanDerWaalsContact OG1-N 3.08Å; T1050-I1072 HydrophobicContact CG2-CD1 3.42Å; T1050-I1072 VanDerWaalsContact CG2-CD1 3.42Å; T1050-A1101 HydrophobicContact CG2-CB 4.31Å; T1050-A1101 CarbonylContact O-C 3.45Å; T1050-A1101 VanDerWaalsContact O-CA 3.29Å; T1050-A1101 WeakPolarHBondContact O-CA 3.07Å; T1050-D1102 PolarHBondContact O-N 3.03Å; T1050-G1103 WeakPolarHBondContact O-CA 3.45Å; T1050-G1103 PolarHBondContact O-N 2.82Å; T1050-F1166 HydrophobicContact CG2-CE2 3.97Å; T1050-T1167 WeakPolarHBondContact CB-O 3.25Å; T1050-T1167 PolarHBondContact OG1-O 2.84Å
1051	T	94.3	Very high	94.9	Very high	111 Å²	111	34 Å²	34	68%	0.681	16%	0.162	S	C	*	.	S	Bend	trans	-113.2	8.6	170.2	54.1	0	0	0	0	112	A1101	T1051-A1101 WeakPolarHBondContact CA-O 3.01Å
1052	R	94.6	Very high	94.7	Very high	104 Å²	104	25.9 Å²	25.9	39%	0.392	13%	0.133	S	C	.	.			trans	-108	137.7	-176.8	-58.7	-169.5	86	-179.9	4.3	111.5	S1008 T1050 S1055 A1101 T1167	S1008-R1052 PolarHBondContact OG-NH1 3.07Å; T1050-R1052 PolarHBondContact OG1-N 3.21Å; T1050-R1052 VanDerWaalsContact OG1-N 3.08Å; R1052-S1055 PolarHBondContact O-OG 2.9Å; R1052-A1101 WeakPolarHBondContact O-CB 3.46Å; R1052-T1167 VanDerWaalsContact CD-CB 3.5Å; R1052-T1167 PolarHBondContact NH1-OG1 2.96Å
1053	A	94	Very high	94.4	Very high	42 Å²	42	27.1 Å²	27.1	35%	0.347	14%	0.138	S	C	.	.	S	Bend	trans	-142.7	139	171.3	0	0	0	0	0	108.8	I1072 A1101	A1053-I1072 HydrophobicContact CB-CG2 3.87Å; A1053-A1101 HydrophobicContact CB-CB 4.02Å
1054	P	95.3	Very high	94.1	Very high	11 Å²	11	28 Å²	28	7%	0.071	14%	0.139	C	C	.	.	S	Bend	cis	-72.1	160	-4.6	32.8	-35.2	0	0	0	112.1	I1072 L1160 A1161	P1054-I1072 CarbonylContact C-O 3.39Å; P1054-I1072 WeakPolarHBondContact CA-O 3.47Å; P1054-I1072 VanDerWaalsContact CB-O 3.28Å; P1054-I1072 WeakPolarHBondContact CB-O 3.05Å; P1054-L1160 HydrophobicContact CG-CD2 4.19Å; P1054-L1160 HydrophobicContact CG-CG 4.13Å; P1054-A1161 HydrophobicContact CB-CB 4.29Å
1055	S	95.7	Very high	93.7	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.021	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	144	177.3	-73.1	0	0	0	0	112.7	R1052 I1071 I1072 G1165	R1052-S1055 PolarHBondContact O-OG 2.9Å; S1055-I1071 CarbonylContact O-C 3.37Å; S1055-I1071 VanDerWaalsContact O-CA 3.31Å; S1055-I1071 WeakPolarHBondContact O-CA 3.48Å; S1055-I1072 PolarHBondContact N-O 3.24Å; S1055-I1072 PolarHBondContact O-N 3.01Å; S1055-G1165 CarbonylContact C-O 3.47Å; S1055-G1165 WeakPolarHBondContact CA-O 3.47Å; S1055-G1165 WeakPolarHBondContact CB-O 3.13Å; S1055-G1165 PolarHBondContact OG-O 3.15Å
1056	L	95.9	Very high	93.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	109	177.2	176.4	61.1	0	0	0	111.3	H1059 I1071 G1146 M1148 A1161 A1162 G1165 F1166	L1056-H1059 HydrophobicContact CD1-CB 4Å; L1056-H1059 HydrophobicContact CD2-CB 3.91Å; L1056-H1059 HydrophobicContact CG-CB 4.42Å; L1056-I1071 HydrophobicContact CD1-CG2 3.63Å; L1056-G1146 WeakPolarHBondContact CD2-O 3.4Å; L1056-G1146 PolarHBondContact O-N 3.08Å; L1056-M1148 HydrophobicContact CD2-CB 4.44Å; L1056-A1161 HydrophobicContact CB-CB 4.4Å; L1056-A1162 HydrophobicContact CD2-CB 3.77Å; L1056-G1165 PolarHBondContact N-O 3.45Å; L1056-F1166 WeakPolarHBondContact O-CB 3.42Å
1057	L	96.7	Very high	93.5	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	-49.2	-179.8	-62.7	169.4	0	0	0	111.4	F1046 F1048 I1070 I1072 L1078 L1145 F1166 L1170	F1046-L1057 HydrophobicContact CE2-CB 4.03Å; F1046-L1057 HydrophobicContact CE2-CD1 4.01Å; F1046-L1057 HydrophobicContact CE2-CG 4.42Å; F1046-L1057 HydrophobicContact CZ-CB 4.14Å; F1046-L1057 HydrophobicContact CZ-CD1 4.16Å; F1048-L1057 HydrophobicContact CB-CD2 3.97Å; F1048-L1057 HydrophobicContact CD1-CD1 3.89Å; F1048-L1057 HydrophobicContact CD1-CD2 4.29Å; F1048-L1057 HydrophobicContact CD2-CD1 4.29Å; F1048-L1057 HydrophobicContact CD2-CD2 3.78Å; F1048-L1057 HydrophobicContact CE1-CD1 3.74Å; F1048-L1057 HydrophobicContact CE2-CD1 4.19Å; F1048-L1057 HydrophobicContact CE2-CD2 4.35Å; F1048-L1057 HydrophobicContact CG-CD1 4.14Å; F1048-L1057 HydrophobicContact CG-CD2 3.74Å; F1048-L1057 HydrophobicContact CZ-CD1 3.89Å; L1057-I1070 HydrophobicContact CB-CG2 4.43Å; L1057-I1070 WeakPolarHBondContact CB-O 3.49Å; L1057-I1070 HydrophobicContact CD1-CG2 4.21Å; L1057-I1070 PolarHBondContact N-O 2.92Å; L1057-I1072 HydrophobicContact CD1-CD1 4.4Å; L1057-I1072 HydrophobicContact CD1-CG1 4.01Å; L1057-I1072 HydrophobicContact CG-CG1 4.4Å; L1057-L1078 HydrophobicContact CD1-CD1 3.69Å; L1057-L1145 VanDerWaalsContact O-CD2 3.27Å; L1057-L1145 WeakPolarHBondContact O-CD2 3.21Å; L1057-F1166 HydrophobicContact CD2-CD2 3.53Å; L1057-F1166 HydrophobicContact CD2-CE2 3.43Å; L1057-F1166 VanDerWaalsContact CD2-CE2 3.43Å; L1057-F1166 HydrophobicContact CD2-CG 4.47Å; L1057-F1166 HydrophobicContact CD2-CZ 4.34Å; L1057-L1170 HydrophobicContact CD2-CD2 4.32Å
1058	L	97	Very high	93.5	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	134.2	-179.4	-177.2	152.5	0	0	0	109.9	I1044 M1060 S1069 I1070 L1143 V1144 L1145	I1044-L1058 HydrophobicContact CG2-CD1 3.94Å; L1058-M1060 HydrophobicContact CD2-CG 4.06Å; L1058-S1069 CarbonylContact O-C 3.51Å; L1058-S1069 WeakPolarHBondContact O-CA 3.25Å; L1058-I1070 HydrophobicContact CB-CB 4.4Å; L1058-I1070 HydrophobicContact CB-CD1 4.21Å; L1058-I1070 HydrophobicContact CB-CG1 4.49Å; L1058-I1070 HydrophobicContact CD2-CD1 4.26Å; L1058-I1070 PolarHBondContact N-O 2.75Å; L1058-I1070 PolarHBondContact O-N 3.33Å; L1058-L1143 HydrophobicContact CD1-CD1 4.12Å; L1058-L1143 HydrophobicContact CD1-CG 4.45Å; L1058-L1143 HydrophobicContact CG-CD1 4.42Å; L1058-L1143 HydrophobicContact CG-CD2 4.47Å; L1058-L1143 HydrophobicContact CG-CG 4.28Å; L1058-V1144 CarbonylContact C-O 3.57Å; L1058-V1144 WeakPolarHBondContact CA-O 3.05Å; L1058-L1145 HydrophobicContact CB-CD2 4Å; L1058-L1145 HydrophobicContact CD1-CD2 4.12Å; L1058-L1145 HydrophobicContact CG-CD2 4.07Å
1059	H	95.9	Very high	93.5	Very high	5 Å²	5	29.3 Å²	29.3	2%	0.023	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	135.6	170.5	179.5	65.3	0	0	0	110	L1056 Y1067 L1068 L1143 V1144 M1148 V1154	L1056-H1059 HydrophobicContact CD1-CB 4Å; L1056-H1059 HydrophobicContact CD2-CB 3.91Å; L1056-H1059 HydrophobicContact CG-CB 4.42Å; H1059-Y1067 AromaticContact CE1-CG 3.86Å; H1059-L1068 CarbonylContact C-O 3.4Å; H1059-L1068 WeakPolarHBondContact CA-O 3.36Å; H1059-L1068 PolarHBondContact ND1-O 2.99Å; H1059-L1143 CarbonylContact O-C 3.57Å; H1059-L1143 VanDerWaalsContact O-CA 3.28Å; H1059-L1143 WeakPolarHBondContact O-CA 3.46Å; H1059-V1144 HydrophobicContact CB-CB 4.38Å; H1059-V1144 PolarHBondContact N-O 3.13Å; H1059-V1144 PolarHBondContact O-N 3.29Å; H1059-M1148 PolarHBondContact CD2-SD 3.08Å; H1059-V1154 VanDerWaalsContact CE1-CG1 3.47Å; H1059-V1154 WeakPolarHBondContact CE1-CG1 3.44Å
1060	M	93.9	Very high	93.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	135.7	166.9	-68.4	-164.6	-67.5	0	0	110	F1016 I1044 L1058 Y1067 L1068 F1137 S1142 L1143 F1175	F1016-M1060 HydrophobicContact CE2-SD 4.48Å; F1016-M1060 HydrophobicContact CZ-SD 4.25Å; I1044-M1060 HydrophobicContact CD1-CE 4.47Å; L1058-M1060 HydrophobicContact CD2-CG 4.06Å; M1060-Y1067 CarbonylContact O-C 3.5Å; M1060-Y1067 WeakPolarHBondContact O-CA 3.16Å; M1060-Y1067 WeakPolarHBondContact O-CB 3.31Å; M1060-L1068 HydrophobicContact CB-CB 4.44Å; M1060-L1068 HydrophobicContact CE-CB 4.17Å; M1060-L1068 HydrophobicContact CE-CD2 3.54Å; M1060-L1068 HydrophobicContact CE-CG 4.38Å; M1060-L1068 PolarHBondContact N-O 3.3Å; M1060-L1068 PolarHBondContact O-N 3.18Å; M1060-F1137 HydrophobicContact CB-CE1 3.9Å; M1060-F1137 HydrophobicContact CB-CZ 4.12Å; M1060-F1137 HydrophobicContact CE-CD1 4.39Å; M1060-F1137 HydrophobicContact CE-CE1 3.89Å; M1060-F1137 HydrophobicContact SD-CE1 4.47Å; M1060-S1142 VanDerWaalsContact CA-O 3.29Å; M1060-S1142 WeakPolarHBondContact CA-O 3.41Å; M1060-L1143 HydrophobicContact CG-CB 3.93Å; M1060-L1143 HydrophobicContact CG-CD1 4.04Å; M1060-L1143 HydrophobicContact CG-CG 3.92Å; M1060-L1143 HydrophobicContact SD-CD1 4.12Å; M1060-F1175 HydrophobicContact CE-CD2 3.82Å; M1060-F1175 HydrophobicContact CE-CE1 4.4Å; M1060-F1175 HydrophobicContact CE-CE2 3.06Å; M1060-F1175 HydrophobicContact CE-CZ 3.41Å; M1060-F1175 VanDerWaalsContact CE-CZ 3.41Å; M1060-F1175 HydrophobicContact SD-CD1 4.27Å; M1060-F1175 HydrophobicContact SD-CD2 3.8Å; M1060-F1175 HydrophobicContact SD-CE1 3.92Å; M1060-F1175 HydrophobicContact SD-CE2 3.45Å; M1060-F1175 WeakPolarHBondContact SD-CE2 3.17Å; M1060-F1175 HydrophobicContact SD-CG 4.21Å; M1060-F1175 HydrophobicContact SD-CZ 3.51Å; M1060-F1175 VanDerWaalsContact SD-CZ 3.51Å
1061	S	92.3	Very high	93.8	Very high	22 Å²	22	24.9 Å²	24.9	15%	0.154	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	154.7	-179.8	65.5	0	0	0	0	111.6	K1141 S1142	S1061-K1141 PolarHBondContact O-N 3.07Å; S1061-S1142 PolarHBondContact N-O 3.3Å; S1061-S1142 PolarHBondContact OG-OG 3.4Å
1062	S	89.9	Confident	93.9	Very high	9 Å²	9	19.6 Å²	19.6	6%	0.063	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	155.1	172.8	159	0	0	0	0	111.4	Y1064 K1065 E1066 S1138 A1139	S1062-Y1064 PolarHBondContact O-N 3.36Å; S1062-Y1064 PolarHBondContact OG-N 3.07Å; S1062-K1065 PolarHBondContact O-N 3.05Å; S1062-E1066 WeakPolarHBondContact CB-O 3.44Å; S1062-E1066 PolarHBondContact N-O 2.76Å; S1062-S1138 WeakPolarHBondContact CB-O 3.42Å; S1062-S1138 PolarHBondContact OG-O 2.88Å; S1062-A1139 VanDerWaalsContact CA-O 3.28Å; S1062-A1139 WeakPolarHBondContact CA-O 3.29Å; S1062-A1139 PolarHBondContact OG-O 3.42Å
1063	F	85.9	Confident	93.9	Very high	32 Å²	32	15.2 Å²	15.2	14%	0.14	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-20.9	170.2	-67.3	-74.1	0	0	0	113.8	A1031 K1065 A1139 K1141	A1031-F1063 HydrophobicContact CB-CB 4.42Å; F1063-K1065 VanDerWaalsContact C-N 3.29Å; F1063-A1139 HydrophobicContact CB-CB 4.21Å; F1063-A1139 HydrophobicContact CD2-CB 4.21Å; F1063-A1139 VanDerWaalsContact CD2-O 3.28Å; F1063-A1139 WeakPolarHBondContact CD2-O 3.26Å; F1063-A1139 PolarHBondContact N-O 2.88Å; F1063-K1141 HydrophobicContact CD1-CD 4.32Å; F1063-K1141 HydrophobicContact CD2-CB 4.1Å; F1063-K1141 HydrophobicContact CE1-CB 4.35Å; F1063-K1141 HydrophobicContact CE1-CD 3.94Å; F1063-K1141 HydrophobicContact CE1-CG 3.95Å; F1063-K1141 HydrophobicContact CE2-CB 3.79Å; F1063-K1141 HydrophobicContact CE2-CG 4.09Å; F1063-K1141 HydrophobicContact CG-CB 4.5Å; F1063-K1141 HydrophobicContact CZ-CB 3.93Å; F1063-K1141 HydrophobicContact CZ-CD 4.22Å; F1063-K1141 HydrophobicContact CZ-CG 3.69Å
1064	Y	87.3	Confident	93.8	Very high	65 Å²	65	21.4 Å²	21.4	26%	0.255	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	10.7	177.2	-61.4	-40	0	0	0	114.1	F1028 A1031 S1062 E1066 A1139	F1028-Y1064 AromaticContact CD1-CD1 3.92Å; F1028-Y1064 HydrophobicContact CD1-CD1 3.92Å; F1028-Y1064 HydrophobicContact CD1-CE1 4.26Å; F1028-Y1064 HydrophobicContact CE1-CD1 4.07Å; A1031-Y1064 HydrophobicContact CB-CE1 4.1Å; S1062-Y1064 PolarHBondContact O-N 3.36Å; S1062-Y1064 PolarHBondContact OG-N 3.07Å; Y1064-E1066 PolarHBondContact O-N 2.83Å; Y1064-A1139 HydrophobicContact CD2-CB 3.81Å; Y1064-A1139 HydrophobicContact CE2-CB 3.66Å; Y1064-A1139 HydrophobicContact CG-CB 4.47Å
1065	K	88.6	Confident	93.7	Very high	87 Å²	87	25.9 Å²	25.9	38%	0.378	12%	0.123	S	C	.	.	S	Bend	trans	64.2	24.8	-176.3	-49.2	179.6	170.3	-131.6	0	113.2	S1062 F1063 K1086 D1153	S1062-K1065 PolarHBondContact O-N 3.05Å; F1063-K1065 VanDerWaalsContact C-N 3.29Å; K1065-K1086 HydrophobicContact CB-CB 4.48Å; K1065-D1153 HydrophobicContact CB-CB 4.11Å; K1065-D1153 WeakPolarHBondContact CD-OD1 3.4Å; K1065-D1153 WeakPolarHBondContact CE-OD1 3.45Å; K1065-D1153 HydrophobicContact CG-CB 4.22Å; K1065-D1153 IonicContact NZ-OD1 2.7Å; K1065-D1153 PolarHBondContact NZ-OD1 2.79Å
1066	E	91.8	Very high	93.5	Very high	24 Å²	24	25.8 Å²	25.8	11%	0.112	12%	0.123	C	C	.	.			trans	-85.6	151	165.6	-64.2	163.9	-163.1	0	0	108.8	S1062 Y1064 K1083 F1137 S1138	S1062-E1066 WeakPolarHBondContact CB-O 3.44Å; S1062-E1066 PolarHBondContact N-O 2.76Å; Y1064-E1066 PolarHBondContact O-N 2.83Å; E1066-K1083 CarbonylContact C-O 3.48Å; E1066-K1083 WeakPolarHBondContact CA-O 3.44Å; E1066-K1083 WeakPolarHBondContact CB-O 3.47Å; E1066-F1137 HydrophobicContact CB-CD2 3.79Å; E1066-F1137 HydrophobicContact CB-CE2 3.66Å; E1066-S1138 PolarHBondContact OE2-N 2.93Å
1067	Y	94.1	Very high	93.4	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.016	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	162.7	176	66.8	-98.1	0	0	0	114	H1059 M1060 R1081 K1083 P1090 D1153 V1154 D1155	H1059-Y1067 AromaticContact CE1-CG 3.86Å; M1060-Y1067 CarbonylContact O-C 3.5Å; M1060-Y1067 WeakPolarHBondContact O-CA 3.16Å; M1060-Y1067 WeakPolarHBondContact O-CB 3.31Å; Y1067-R1081 HydrophobicContact CE2-CB 4.5Å; Y1067-K1083 HydrophobicContact CD1-CB 3.89Å; Y1067-K1083 HydrophobicContact CD1-CD 3.99Å; Y1067-K1083 HydrophobicContact CD1-CG 4.47Å; Y1067-K1083 HydrophobicContact CD2-CB 4.42Å; Y1067-K1083 HydrophobicContact CE1-CB 3.67Å; Y1067-K1083 HydrophobicContact CE1-CD 3.39Å; Y1067-K1083 HydrophobicContact CE1-CG 4.14Å; Y1067-K1083 HydrophobicContact CE2-CB 4.21Å; Y1067-K1083 HydrophobicContact CG-CB 4.24Å; Y1067-K1083 PolarHBondContact N-O 3.04Å; Y1067-K1083 PolarHBondContact O-N 2.93Å; Y1067-P1090 WeakPolarHBondContact OH-CG 3.33Å; Y1067-D1153 WeakPolarHBondContact CD1-O 3.28Å; Y1067-D1153 WeakPolarHBondContact CE1-O 3.44Å; Y1067-V1154 HydrophobicContact CD1-CG1 4.03Å; Y1067-V1154 HydrophobicContact CE1-CB 4.26Å; Y1067-V1154 HydrophobicContact CE1-CG1 4.18Å; Y1067-V1154 HydrophobicContact CG-CG1 4.27Å; Y1067-D1155 WeakPolarHBondContact OH-CB 3.16Å; Y1067-D1155 PolarHBondContact OH-N 2.85Å; Y1067-D1155 PolarHBondContact OH-OD1 3.3Å
1068	L	94.9	Very high	93.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.8	163.9	170	58.3	0	0	0	108.5	I1044 H1059 M1060 I1080 R1081 Y1082	I1044-L1068 HydrophobicContact CD1-CD2 3.33Å; H1059-L1068 CarbonylContact C-O 3.4Å; H1059-L1068 WeakPolarHBondContact CA-O 3.36Å; H1059-L1068 PolarHBondContact ND1-O 2.99Å; M1060-L1068 HydrophobicContact CB-CB 4.44Å; M1060-L1068 HydrophobicContact CE-CB 4.17Å; M1060-L1068 HydrophobicContact CE-CD2 3.54Å; M1060-L1068 HydrophobicContact CE-CG 4.38Å; M1060-L1068 PolarHBondContact N-O 3.3Å; M1060-L1068 PolarHBondContact O-N 3.18Å; L1068-I1080 HydrophobicContact CD1-CG2 3.92Å; L1068-R1081 CarbonylContact C-O 3.47Å; L1068-R1081 VanDerWaalsContact CA-O 3.31Å; L1068-R1081 WeakPolarHBondContact CA-O 2.88Å; L1068-R1081 VanDerWaalsContact CD1-O 3.26Å; L1068-R1081 WeakPolarHBondContact CD1-O 3.05Å; L1068-Y1082 HydrophobicContact CB-CD1 4.39Å; L1068-Y1082 HydrophobicContact CB-CE1 4.27Å; L1068-Y1082 HydrophobicContact CD1-CD1 3.92Å; L1068-Y1082 HydrophobicContact CD1-CD2 3.65Å; L1068-Y1082 HydrophobicContact CD1-CE1 3.71Å; L1068-Y1082 HydrophobicContact CD1-CE2 3.41Å; L1068-Y1082 VanDerWaalsContact CD1-CE2 3.41Å; L1068-Y1082 HydrophobicContact CD1-CG 3.9Å; L1068-Y1082 VanDerWaalsContact CD1-CZ 3.45Å; L1068-Y1082 HydrophobicContact CD2-CE1 3.83Å; L1068-Y1082 HydrophobicContact CD2-CE2 4.46Å; L1068-Y1082 HydrophobicContact CG-CE1 4.14Å
1069	S	96.3	Very high	93.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	141.5	170.3	65.2	0	0	0	0	111.8	L1058 R1081 T1158	L1058-S1069 CarbonylContact O-C 3.51Å; L1058-S1069 WeakPolarHBondContact O-CA 3.25Å; S1069-R1081 PolarHBondContact N-O 2.94Å; S1069-R1081 PolarHBondContact O-N 3.3Å; S1069-R1081 WeakPolarHBondContact OG-CB 3.44Å; S1069-T1158 PolarHBondContact OG-OG1 3.34Å
1070	I	97.5	Very high	93.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	112	172.4	-51.4	173.5	0	0	0	106.3	I1044 F1046 L1057 L1058 L1078 Q1079 I1080 I1110	I1044-I1070 HydrophobicContact CD1-CD1 4.41Å; I1044-I1070 HydrophobicContact CG2-CD1 4.26Å; F1046-I1070 HydrophobicContact CE1-CD1 3.78Å; F1046-I1070 HydrophobicContact CZ-CD1 4.25Å; F1046-I1070 HydrophobicContact CZ-CG2 4.05Å; L1057-I1070 HydrophobicContact CB-CG2 4.43Å; L1057-I1070 WeakPolarHBondContact CB-O 3.49Å; L1057-I1070 HydrophobicContact CD1-CG2 4.21Å; L1057-I1070 PolarHBondContact N-O 2.92Å; L1058-I1070 HydrophobicContact CB-CB 4.4Å; L1058-I1070 HydrophobicContact CB-CD1 4.21Å; L1058-I1070 HydrophobicContact CB-CG1 4.49Å; L1058-I1070 HydrophobicContact CD2-CD1 4.26Å; L1058-I1070 PolarHBondContact N-O 2.75Å; L1058-I1070 PolarHBondContact O-N 3.33Å; I1070-L1078 HydrophobicContact CG2-CD1 3.91Å; I1070-Q1079 WeakPolarHBondContact CA-O 3.48Å; I1070-I1080 HydrophobicContact CG1-CG1 4.49Å; I1070-I1080 HydrophobicContact CG2-CG1 4.33Å; I1070-I1110 HydrophobicContact CD1-CD1 3.42Å; I1070-I1110 VanDerWaalsContact CD1-CD1 3.42Å; I1070-I1110 HydrophobicContact CG1-CD1 4.15Å
1071	I	97.1	Very high	93.4	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	154	-173	66.8	173.9	0	0	0	111	S1055 L1056 Q1079 E1157 A1161	S1055-I1071 CarbonylContact O-C 3.37Å; S1055-I1071 VanDerWaalsContact O-CA 3.31Å; S1055-I1071 WeakPolarHBondContact O-CA 3.48Å; L1056-I1071 HydrophobicContact CD1-CG2 3.63Å; I1071-Q1079 HydrophobicContact CG1-CB 3.92Å; I1071-Q1079 PolarHBondContact N-O 3.49Å; I1071-Q1079 PolarHBondContact O-N 3Å; I1071-E1157 HydrophobicContact CD1-CB 4.34Å; I1071-A1161 HydrophobicContact CB-CB 3.87Å; I1071-A1161 HydrophobicContact CD1-CB 4.3Å; I1071-A1161 HydrophobicContact CG2-CB 3.67Å
1072	I	96.4	Very high	93.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	117.8	157.9	-55.6	176.3	0	0	0	106	F1048 T1050 A1053 P1054 S1055 L1057 S1077 A1101	F1048-I1072 HydrophobicContact CD2-CD1 4.29Å; F1048-I1072 HydrophobicContact CE2-CD1 3.55Å; F1048-I1072 HydrophobicContact CE2-CG1 4.39Å; F1048-I1072 HydrophobicContact CZ-CD1 4.16Å; T1050-I1072 HydrophobicContact CG2-CD1 3.42Å; T1050-I1072 VanDerWaalsContact CG2-CD1 3.42Å; A1053-I1072 HydrophobicContact CB-CG2 3.87Å; P1054-I1072 CarbonylContact C-O 3.39Å; P1054-I1072 WeakPolarHBondContact CA-O 3.47Å; P1054-I1072 VanDerWaalsContact CB-O 3.28Å; P1054-I1072 WeakPolarHBondContact CB-O 3.05Å; S1055-I1072 PolarHBondContact N-O 3.24Å; S1055-I1072 PolarHBondContact O-N 3.01Å; L1057-I1072 HydrophobicContact CD1-CD1 4.4Å; L1057-I1072 HydrophobicContact CD1-CG1 4.01Å; L1057-I1072 HydrophobicContact CG-CG1 4.4Å; I1072-S1077 CarbonylContact C-O 3.49Å; I1072-S1077 WeakPolarHBondContact CA-O 3.41Å; I1072-A1101 HydrophobicContact CD1-CB 4.42Å; I1072-A1101 HydrophobicContact CG2-CB 4.24Å
1073	A	95.1	Very high	93.8	Very high	12 Å²	12	26.9 Å²	26.9	10%	0.099	12%	0.124	C	C	.	.			trans	-72.6	170.2	178.1	0	0	0	0	0	111.2	N1075 G1076 S1077 Q1079	A1073-N1075 WeakPolarHBondContact CB-OD1 3.09Å; A1073-N1075 PolarHBondContact O-N 3.01Å; A1073-G1076 WeakPolarHBondContact O-CA 3.37Å; A1073-G1076 PolarHBondContact O-N 3.47Å; A1073-S1077 PolarHBondContact N-O 3.13Å; A1073-Q1079 HydrophobicContact CB-CG 4.3Å
1074	K	93	Very high	94.1	Very high	172 Å²	172	25.7 Å²	25.7	75%	0.748	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-28.3	-176.4	-171.9	178.6	178.5	-176.9	0	113.5	G1076	K1074-G1076 PolarHBondContact O-N 2.8Å
1075	N	91.8	Very high	94.2	Very high	106 Å²	106	25 Å²	25	57%	0.567	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-1.1	174.7	66.5	-12.2	0	0	0	113.3	A1073 S1077 D1096	A1073-N1075 WeakPolarHBondContact CB-OD1 3.09Å; A1073-N1075 PolarHBondContact O-N 3.01Å; N1075-S1077 PolarHBondContact ND2-OG 2.88Å; N1075-S1077 PolarHBondContact OD1-N 3.22Å; N1075-S1077 PolarHBondContact OD1-OG 2.91Å; N1075-D1096 PolarHBondContact ND2-OD1 3.22Å
1076	G	92.3	Very high	94	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.01	12%	0.119	C	C	.	.	S	Bend	trans	87.3	-1.8	-177.8	0	0	0	0	0	115	A1073 K1074 S1099 M1100	A1073-G1076 WeakPolarHBondContact O-CA 3.37Å; A1073-G1076 PolarHBondContact O-N 3.47Å; K1074-G1076 PolarHBondContact O-N 2.8Å; G1076-S1099 CarbonylContact O-C 3.57Å; G1076-S1099 WeakPolarHBondContact O-CA 3.27Å; G1076-M1100 PolarHBondContact O-N 3.06Å
1077	S	94.2	Very high	93.8	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.014	15%	0.148	C	C	.	.			trans	-74.9	143.2	179.3	69.7	0	0	0	0	112.3	I1072 A1073 N1075 S1094 F1095 D1096	I1072-S1077 CarbonylContact C-O 3.49Å; I1072-S1077 WeakPolarHBondContact CA-O 3.41Å; A1073-S1077 PolarHBondContact N-O 3.13Å; N1075-S1077 PolarHBondContact ND2-OG 2.88Å; N1075-S1077 PolarHBondContact OD1-N 3.22Å; N1075-S1077 PolarHBondContact OD1-OG 2.91Å; S1077-S1094 PolarHBondContact OG-OG 2.89Å; S1077-F1095 VanDerWaalsContact CB-O 3.31Å; S1077-F1095 WeakPolarHBondContact CB-O 3.01Å; S1077-D1096 WeakPolarHBondContact CB-OD1 3.07Å; S1077-D1096 PolarHBondContact OG-OD1 2.03Å
1078	L	94.7	Very high	93.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	128	172.5	-177.8	73.8	0	0	0	108.8	F1048 L1057 I1070 F1095 M1100 I1108 I1121	F1048-L1078 HydrophobicContact CE1-CD1 4.43Å; F1048-L1078 HydrophobicContact CZ-CD1 4.42Å; L1057-L1078 HydrophobicContact CD1-CD1 3.69Å; I1070-L1078 HydrophobicContact CG2-CD1 3.91Å; L1078-F1095 HydrophobicContact CB-CB 4.45Å; L1078-F1095 PolarHBondContact O-N 2.93Å; L1078-M1100 HydrophobicContact CB-CG 3.95Å; L1078-I1108 HydrophobicContact CD2-CD1 3.53Å; L1078-I1108 HydrophobicContact CD2-CG1 4.28Å; L1078-I1121 HydrophobicContact CD2-CD1 3.76Å; L1078-I1121 HydrophobicContact CD2-CG1 4.37Å
1079	Q	95.9	Very high	93.3	Very high	18 Å²	18	43.4 Å²	43.4	8%	0.084	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.4	178.5	-63.3	-175.7	-7.9	0	0	110.8	I1070 I1071 A1073 V1092 I1093	I1070-Q1079 WeakPolarHBondContact CA-O 3.48Å; I1071-Q1079 HydrophobicContact CG1-CB 3.92Å; I1071-Q1079 PolarHBondContact N-O 3.49Å; I1071-Q1079 PolarHBondContact O-N 3Å; A1073-Q1079 HydrophobicContact CB-CG 4.3Å; Q1079-V1092 HydrophobicContact CB-CG1 4.38Å; Q1079-V1092 HydrophobicContact CG-CG1 4.47Å; Q1079-I1093 WeakPolarHBondContact CA-O 3.03Å
1080	I	96	Very high	93.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	122.3	172.9	-58.1	159.8	0	0	0	107	L1068 I1070 Y1082 I1093 F1095 I1110 V1119	L1068-I1080 HydrophobicContact CD1-CG2 3.92Å; I1070-I1080 HydrophobicContact CG1-CG1 4.49Å; I1070-I1080 HydrophobicContact CG2-CG1 4.33Å; I1080-Y1082 HydrophobicContact CG2-CD2 4.01Å; I1080-Y1082 HydrophobicContact CG2-CE2 3.69Å; I1080-I1093 HydrophobicContact CB-CB 4.32Å; I1080-I1093 PolarHBondContact N-O 2.91Å; I1080-I1093 PolarHBondContact O-N 2.89Å; I1080-F1095 HydrophobicContact CD1-CE2 4.06Å; I1080-I1110 HydrophobicContact CD1-CD1 3.5Å; I1080-I1110 VanDerWaalsContact CD1-CD1 3.5Å; I1080-I1110 HydrophobicContact CD1-CG1 3.81Å; I1080-I1110 HydrophobicContact CG1-CD1 3.85Å; I1080-I1110 HydrophobicContact CG2-CD1 4.29Å; I1080-V1119 HydrophobicContact CD1-CB 4.22Å; I1080-V1119 HydrophobicContact CD1-CG1 3.61Å; I1080-V1119 HydrophobicContact CD1-CG2 3.51Å
1081	R	96.1	Very high	93	Very high	7 Å²	7	45.3 Å²	45.3	3%	0.026	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	121.4	-173.6	-54.9	-177.5	163.1	-115.9	-12.3	110.4	Y1067 L1068 S1069 P1090 D1091 V1092 D1155 E1157 T1158	Y1067-R1081 HydrophobicContact CE2-CB 4.5Å; L1068-R1081 CarbonylContact C-O 3.47Å; L1068-R1081 VanDerWaalsContact CA-O 3.31Å; L1068-R1081 WeakPolarHBondContact CA-O 2.88Å; L1068-R1081 VanDerWaalsContact CD1-O 3.26Å; L1068-R1081 WeakPolarHBondContact CD1-O 3.05Å; S1069-R1081 PolarHBondContact N-O 2.94Å; S1069-R1081 PolarHBondContact O-N 3.3Å; S1069-R1081 WeakPolarHBondContact OG-CB 3.44Å; R1081-P1090 HydrophobicContact CB-CB 4.45Å; R1081-D1091 CarbonylContact C-O 3.38Å; R1081-D1091 VanDerWaalsContact CA-O 3.26Å; R1081-D1091 WeakPolarHBondContact CA-O 3.43Å; R1081-V1092 HydrophobicContact CG-CG1 4.25Å; R1081-V1092 HydrophobicContact CG-CG2 4.12Å; R1081-D1155 IonicContact CZ-OD2 3.53Å; R1081-D1155 IonicContact NH1-OD1 3.92Å; R1081-D1155 IonicContact NH1-OD2 2.69Å; R1081-D1155 PolarHBondContact NH1-OD2 2.61Å; R1081-E1157 IonicContact CZ-OE2 3.14Å; R1081-E1157 IonicContact NH1-OE2 2.8Å; R1081-E1157 PolarHBondContact NH1-OE2 3.18Å; R1081-E1157 IonicContact NH2-OE1 3.75Å; R1081-E1157 IonicContact NH2-OE2 2.66Å; R1081-E1157 PolarHBondContact NH2-OE2 3.03Å; R1081-T1158 WeakPolarHBondContact CD-OG1 3.26Å
1082	Y	95.7	Very high	92.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.2	175.4	-83.8	-89.1	0	0	0	110.3	E1042 L1068 I1080 L1084 P1090 D1091 V1117 L1131 S1133	E1042-Y1082 VanDerWaalsContact OE1-CE1 3.25Å; E1042-Y1082 WeakPolarHBondContact OE1-CE1 3.37Å; E1042-Y1082 PolarHBondContact OE1-OH 3.16Å; L1068-Y1082 HydrophobicContact CB-CD1 4.39Å; L1068-Y1082 HydrophobicContact CB-CE1 4.27Å; L1068-Y1082 HydrophobicContact CD1-CD1 3.92Å; L1068-Y1082 HydrophobicContact CD1-CD2 3.65Å; L1068-Y1082 HydrophobicContact CD1-CE1 3.71Å; L1068-Y1082 HydrophobicContact CD1-CE2 3.41Å; L1068-Y1082 VanDerWaalsContact CD1-CE2 3.41Å; L1068-Y1082 HydrophobicContact CD1-CG 3.9Å; L1068-Y1082 VanDerWaalsContact CD1-CZ 3.45Å; L1068-Y1082 HydrophobicContact CD2-CE1 3.83Å; L1068-Y1082 HydrophobicContact CD2-CE2 4.46Å; L1068-Y1082 HydrophobicContact CG-CE1 4.14Å; I1080-Y1082 HydrophobicContact CG2-CD2 4.01Å; I1080-Y1082 HydrophobicContact CG2-CE2 3.69Å; Y1082-L1084 HydrophobicContact CD1-CD1 4.31Å; Y1082-L1084 HydrophobicContact CD1-CD2 4.03Å; Y1082-L1084 HydrophobicContact CD1-CG 4.2Å; Y1082-P1090 CarbonylContact O-C 3.59Å; Y1082-P1090 VanDerWaalsContact O-CA 3.23Å; Y1082-P1090 WeakPolarHBondContact O-CA 3.41Å; Y1082-D1091 PolarHBondContact N-O 2.93Å; Y1082-D1091 PolarHBondContact O-N 2.87Å; Y1082-V1117 HydrophobicContact CD2-CG2 4.28Å; Y1082-V1117 HydrophobicContact CE2-CG1 4.29Å; Y1082-V1117 HydrophobicContact CE2-CG2 3.9Å; Y1082-L1131 HydrophobicContact CD1-CD1 3.97Å; Y1082-L1131 HydrophobicContact CD2-CD1 4.18Å; Y1082-L1131 HydrophobicContact CD2-CD2 3.99Å; Y1082-L1131 HydrophobicContact CG-CD1 3.78Å; Y1082-L1131 HydrophobicContact CG-CD2 4.08Å; Y1082-S1133 PolarHBondContact O-OG 2.06Å
1083	K	94.4	Very high	92.8	Very high	33 Å²	33	48.4 Å²	48.4	14%	0.143	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	89.8	167.3	-173.3	174.5	-179.4	162.2	0	108.7	E1066 Y1067 K1086 H1088 P1090	E1066-K1083 CarbonylContact C-O 3.48Å; E1066-K1083 WeakPolarHBondContact CA-O 3.44Å; E1066-K1083 WeakPolarHBondContact CB-O 3.47Å; Y1067-K1083 HydrophobicContact CD1-CB 3.89Å; Y1067-K1083 HydrophobicContact CD1-CD 3.99Å; Y1067-K1083 HydrophobicContact CD1-CG 4.47Å; Y1067-K1083 HydrophobicContact CD2-CB 4.42Å; Y1067-K1083 HydrophobicContact CE1-CB 3.67Å; Y1067-K1083 HydrophobicContact CE1-CD 3.39Å; Y1067-K1083 HydrophobicContact CE1-CG 4.14Å; Y1067-K1083 HydrophobicContact CE2-CB 4.21Å; Y1067-K1083 HydrophobicContact CG-CB 4.24Å; Y1067-K1083 PolarHBondContact N-O 3.04Å; Y1067-K1083 PolarHBondContact O-N 2.93Å; K1083-K1086 WeakPolarHBondContact CE-O 3.06Å; K1083-K1086 PolarHBondContact NZ-O 3.13Å; K1083-H1088 WeakPolarHBondContact CE-O 3.38Å; K1083-P1090 HydrophobicContact CB-CB 4.16Å
1084	L	92.8	Very high	92.6	Very high	8 Å²	8	49.1 Å²	49.1	4%	0.042	23%	0.233	C	C	.	.			trans	-93.4	1.8	-179.7	-59	-174.9	0	0	0	113.7	Y1082 L1131 S1133 G1134 F1137	Y1082-L1084 HydrophobicContact CD1-CD1 4.31Å; Y1082-L1084 HydrophobicContact CD1-CD2 4.03Å; Y1082-L1084 HydrophobicContact CD1-CG 4.2Å; L1084-L1131 HydrophobicContact CD1-CD1 3.77Å; L1084-S1133 CarbonylContact C-O 3.32Å; L1084-S1133 PolarHBondContact N-OG 2.85Å; L1084-G1134 WeakPolarHBondContact CD1-O 3.27Å; L1084-F1137 HydrophobicContact CD2-CB 3.63Å; L1084-F1137 HydrophobicContact CD2-CD2 3.97Å; L1084-F1137 HydrophobicContact CD2-CG 3.89Å
1085	N	89.3	Confident	92.6	Very high	50 Å²	50	41.9 Å²	41.9	27%	0.267	20%	0.202	S	C	.	.	S	Bend	trans	-142.8	126.1	172.3	-180	-21.1	0	0	0	109.4	Y1087 H1088 S1133	N1085-Y1087 PolarHBondContact O-N 2.78Å; N1085-Y1087 VanDerWaalsContact O-N 3.13Å; N1085-Y1087 WeakPolarHBondContact OD1-CD2 3.27Å; N1085-Y1087 PolarHBondContact OD1-N 2.96Å; N1085-H1088 HydrophobicContact CB-CB 4.31Å; N1085-H1088 PolarHBondContact O-N 3.21Å; N1085-H1088 VanDerWaalsContact O-N 3.1Å; N1085-S1133 WeakPolarHBondContact CB-O 3.34Å; N1085-S1133 PolarHBondContact N-O 3.18Å
1086	K	85	Confident	92.1	Very high	83 Å²	83	41.5 Å²	41.5	36%	0.361	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.2	-176.9	73.4	-174.7	-175.1	-178.6	0	114.4	K1065 K1083	K1065-K1086 HydrophobicContact CB-CB 4.48Å; K1083-K1086 WeakPolarHBondContact CE-O 3.06Å; K1083-K1086 PolarHBondContact NZ-O 3.13Å
1087	Y	88.1	Confident	91.3	Very high	183 Å²	183	49.6 Å²	49.6	72%	0.718	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-8.4	-178.3	-56.3	-67.1	0	0	0	113.5	N1085	N1085-Y1087 PolarHBondContact O-N 2.78Å; N1085-Y1087 VanDerWaalsContact O-N 3.13Å; N1085-Y1087 WeakPolarHBondContact OD1-CD2 3.27Å; N1085-Y1087 PolarHBondContact OD1-N 2.96Å
1088	H	87.9	Confident	90.8	Very high	88 Å²	88	53.6 Å²	53.6	41%	0.407	26%	0.259	S	S	.	.	S	Bend	trans	-103.7	152.8	178.2	-69.9	-173.2	0	0	0	110.9	K1083 N1085	K1083-H1088 WeakPolarHBondContact CE-O 3.38Å; N1085-H1088 HydrophobicContact CB-CB 4.31Å; N1085-H1088 PolarHBondContact O-N 3.21Å; N1085-H1088 VanDerWaalsContact O-N 3.1Å
1089	E	89.6	Confident	90.6	Very high	148 Å²	148	56 Å²	56	69%	0.692	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-67	152.5	165.4	-73.6	-58.8	123.2	0	0	110.3
1090	P	93.5	Very high	90.4	Very high	17 Å²	17	55.9 Å²	55.9	11%	0.11	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-65.6	139.9	178.2	27.3	-34.1	0	0	0	111.7	Y1067 R1081 Y1082 K1083 V1092 D1155	Y1067-P1090 WeakPolarHBondContact OH-CG 3.33Å; R1081-P1090 HydrophobicContact CB-CB 4.45Å; Y1082-P1090 CarbonylContact O-C 3.59Å; Y1082-P1090 VanDerWaalsContact O-CA 3.23Å; Y1082-P1090 WeakPolarHBondContact O-CA 3.41Å; K1083-P1090 HydrophobicContact CB-CB 4.16Å; P1090-V1092 HydrophobicContact CG-CG2 4.49Å; P1090-V1092 PolarHBondContact O-N 2.76Å; P1090-D1155 HydrophobicContact CG-CB 4.22Å
1091	D	95.1	Very high	90.3	Very high	22 Å²	22	56.6 Å²	56.6	12%	0.118	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	123.8	163.6	-65.2	-72.5	0	0	0	109.2	R1081 Y1082 L1131 S1132 S1133	R1081-D1091 CarbonylContact C-O 3.38Å; R1081-D1091 VanDerWaalsContact CA-O 3.26Å; R1081-D1091 WeakPolarHBondContact CA-O 3.43Å; Y1082-D1091 PolarHBondContact N-O 2.93Å; Y1082-D1091 PolarHBondContact O-N 2.87Å; D1091-L1131 HydrophobicContact CB-CD2 3.65Å; D1091-L1131 WeakPolarHBondContact OD2-CB 3.45Å; D1091-S1132 VanDerWaalsContact CG-N 3.28Å; D1091-S1132 WeakPolarHBondContact OD1-CB 3.06Å; D1091-S1132 PolarHBondContact OD1-N 2.78Å; D1091-S1132 PolarHBondContact OD1-OG 3.49Å; D1091-S1132 PolarHBondContact OD2-N 2.8Å; D1091-S1133 WeakPolarHBondContact OD2-CB 3.44Å; D1091-S1133 PolarHBondContact OD2-N 3.43Å; D1091-S1133 PolarHBondContact OD2-OG 2.86Å
1092	V	94.4	Very high	90.1	Very high	63 Å²	63	58.8 Å²	58.8	38%	0.382	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	118.2	-178	-175.3	0	0	0	0	110.7	Q1079 R1081 P1090	Q1079-V1092 HydrophobicContact CB-CG1 4.38Å; Q1079-V1092 HydrophobicContact CG-CG1 4.47Å; R1081-V1092 HydrophobicContact CG-CG1 4.25Å; R1081-V1092 HydrophobicContact CG-CG2 4.12Å; P1090-V1092 HydrophobicContact CG-CG2 4.49Å; P1090-V1092 PolarHBondContact O-N 2.76Å
1093	I	93.5	Very high	89.9	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	104.7	174.4	-49.1	171.8	0	0	0	107.9	Q1079 I1080 F1095 V1117 T1129	Q1079-I1093 WeakPolarHBondContact CA-O 3.03Å; I1080-I1093 HydrophobicContact CB-CB 4.32Å; I1080-I1093 PolarHBondContact N-O 2.91Å; I1080-I1093 PolarHBondContact O-N 2.89Å; I1093-F1095 HydrophobicContact CG2-CE2 3.68Å; I1093-F1095 HydrophobicContact CG2-CZ 3.93Å; I1093-V1117 HydrophobicContact CD1-CB 4Å; I1093-V1117 HydrophobicContact CD1-CG1 3.85Å; I1093-V1117 HydrophobicContact CD1-CG2 4.47Å; I1093-T1129 HydrophobicContact CD1-CG2 4.34Å; I1093-T1129 HydrophobicContact CG1-CG2 4.13Å
1094	S	92.2	Very high	89.8	Confident	26 Å²	26	63.3 Å²	63.3	18%	0.182	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	139.6	-176.7	-167.4	0	0	0	0	113	S1077 D1096 R1127	S1077-S1094 PolarHBondContact OG-OG 2.89Å; S1094-D1096 WeakPolarHBondContact CB-OD2 3.39Å; S1094-D1096 PolarHBondContact OG-OD1 2.87Å; S1094-D1096 PolarHBondContact OG-OD2 2.66Å; S1094-R1127 PolarHBondContact O-NH1 2.65Å
1095	F	91.4	Very high	89.7	Confident	20 Å²	20	65.2 Å²	65.2	9%	0.088	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	89.9	176.4	-63.4	-93.9	0	0	0	110.3	S1077 L1078 I1080 I1093 V1119 I1121 R1127	S1077-F1095 VanDerWaalsContact CB-O 3.31Å; S1077-F1095 WeakPolarHBondContact CB-O 3.01Å; L1078-F1095 HydrophobicContact CB-CB 4.45Å; L1078-F1095 PolarHBondContact O-N 2.93Å; I1080-F1095 HydrophobicContact CD1-CE2 4.06Å; I1093-F1095 HydrophobicContact CG2-CE2 3.68Å; I1093-F1095 HydrophobicContact CG2-CZ 3.93Å; F1095-V1119 HydrophobicContact CE1-CG1 4.41Å; F1095-V1119 HydrophobicContact CE2-CB 4.36Å; F1095-V1119 HydrophobicContact CE2-CG1 3.91Å; F1095-V1119 HydrophobicContact CE2-CG2 4.48Å; F1095-V1119 HydrophobicContact CZ-CB 3.72Å; F1095-V1119 HydrophobicContact CZ-CG1 3.57Å; F1095-V1119 HydrophobicContact CZ-CG2 4.14Å; F1095-I1121 HydrophobicContact CB-CD1 4.12Å; F1095-I1121 HydrophobicContact CD1-CD1 3.49Å; F1095-I1121 VanDerWaalsContact CD1-CD1 3.49Å; F1095-I1121 HydrophobicContact CD2-CD1 3.9Å; F1095-I1121 HydrophobicContact CE1-CD1 3.79Å; F1095-I1121 HydrophobicContact CE2-CD1 4.19Å; F1095-I1121 HydrophobicContact CG-CD1 3.56Å; F1095-I1121 HydrophobicContact CZ-CD1 4.15Å; F1095-R1127 HydrophobicContact CE1-CB 4.18Å; F1095-R1127 HydrophobicContact CZ-CB 4.44Å
1096	D	82	Confident	89.9	Confident	98 Å²	98	62.9 Å²	62.9	52%	0.524	32%	0.317	S	S	.	.			trans	-96.7	15.5	-169.7	-55.9	-71	0	0	0	114.8	N1075 S1077 S1094	N1075-D1096 PolarHBondContact ND2-OD1 3.22Å; S1077-D1096 WeakPolarHBondContact CB-OD1 3.07Å; S1077-D1096 PolarHBondContact OG-OD1 2.03Å; S1094-D1096 WeakPolarHBondContact CB-OD2 3.39Å; S1094-D1096 PolarHBondContact OG-OD1 2.87Å; S1094-D1096 PolarHBondContact OG-OD2 2.66Å
1097	L	75.6	Confident	90.3	Very high	171 Å²	171	62.6 Å²	62.6	90%	0.895	32%	0.316	S	S	*	.	S	Bend	trans	-68.2	-44.7	-175	-82.7	144.9	0	0	0	113.8
1098	K	84.2	Confident	90.7	Very high	86 Å²	86	54.1 Å²	54.1	37%	0.374	28%	0.283	S	S	.	.	S	Bend	trans	-147.1	158.2	173.5	87.2	174.1	-162.9	175.5	0	109.2	M1100 D1102	K1098-M1100 PolarHBondContact O-N 2.63Å; K1098-D1102 WeakPolarHBondContact CE-OD2 3.1Å; K1098-D1102 IonicContact NZ-OD2 3.5Å; K1098-D1102 PolarHBondContact NZ-OD2 2.76Å
1099	S	90.7	Very high	91	Very high	52 Å²	52	53.7 Å²	53.7	36%	0.364	28%	0.28	S	S	.	.			trans	-63.1	126.3	169.5	178	0	0	0	0	110.3	G1076 A1101	G1076-S1099 CarbonylContact O-C 3.57Å; G1076-S1099 WeakPolarHBondContact O-CA 3.27Å; S1099-A1101 VanDerWaalsContact C-N 3.27Å; S1099-A1101 PolarHBondContact OG-N 3.39Å
1100	M	91.9	Very high	91.3	Very high	15 Å²	15	46.6 Å²	46.6	7%	0.074	25%	0.247	C	C	.	.	S	Bend	trans	-86.1	-0.6	174.3	-60.7	-66.1	-173.9	0	0	112.7	F1048 G1076 L1078 K1098 D1102 H1106 I1121	F1048-M1100 HydrophobicContact CE2-CB 4.38Å; F1048-M1100 WeakPolarHBondContact CE2-O 3.11Å; F1048-M1100 HydrophobicContact CZ-CB 3.96Å; G1076-M1100 PolarHBondContact O-N 3.06Å; L1078-M1100 HydrophobicContact CB-CG 3.95Å; K1098-M1100 PolarHBondContact O-N 2.63Å; M1100-D1102 VanDerWaalsContact C-N 3.29Å; M1100-H1106 PolarHBondContact O-CD2 3Å; M1100-H1106 VanDerWaalsContact SD-CE1 3.58Å; M1100-I1121 HydrophobicContact CE-CD1 4.27Å; M1100-I1121 HydrophobicContact CE-CG2 3.85Å
1101	A	93.1	Very high	91.4	Very high	14 Å²	14	47.6 Å²	47.6	12%	0.116	25%	0.252	C	S	.	.			trans	-96.2	45.6	169.9	0	0	0	0	0	110.7	T1050 T1051 R1052 A1053 I1072 S1099	T1050-A1101 HydrophobicContact CG2-CB 4.31Å; T1050-A1101 CarbonylContact O-C 3.45Å; T1050-A1101 VanDerWaalsContact O-CA 3.29Å; T1050-A1101 WeakPolarHBondContact O-CA 3.07Å; T1051-A1101 WeakPolarHBondContact CA-O 3.01Å; R1052-A1101 WeakPolarHBondContact O-CB 3.46Å; A1053-A1101 HydrophobicContact CB-CB 4.02Å; I1072-A1101 HydrophobicContact CD1-CB 4.42Å; I1072-A1101 HydrophobicContact CG2-CB 4.24Å; S1099-A1101 VanDerWaalsContact C-N 3.27Å; S1099-A1101 PolarHBondContact OG-N 3.39Å
1102	D	92.4	Very high	91.4	Very high	53 Å²	53	46.5 Å²	46.5	28%	0.283	25%	0.246	S	C	.	.	S	Bend	trans	-95.4	1.1	-175.6	66.6	-1.4	0	0	0	113.4	T1050 K1098 M1100 Q1104 H1106	T1050-D1102 PolarHBondContact O-N 3.03Å; K1098-D1102 WeakPolarHBondContact CE-OD2 3.1Å; K1098-D1102 IonicContact NZ-OD2 3.5Å; K1098-D1102 PolarHBondContact NZ-OD2 2.76Å; M1100-D1102 VanDerWaalsContact C-N 3.29Å; D1102-Q1104 VanDerWaalsContact C-N 3.29Å; D1102-Q1104 PolarHBondContact O-N 3.31Å; D1102-Q1104 VanDerWaalsContact OD1-CB 3.28Å; D1102-Q1104 WeakPolarHBondContact OD1-CB 3.31Å; D1102-Q1104 PolarHBondContact OD1-N 3.16Å; D1102-Q1104 PolarHBondContact OD2-NE2 3.26Å; D1102-H1106 IonicContact OD1-CD2 3.96Å; D1102-H1106 IonicContact OD1-NE2 2.74Å; D1102-H1106 PolarHBondContact OD1-NE2 3.31Å; D1102-H1106 VanDerWaalsContact OD1-NE2 3.13Å; D1102-H1106 IonicContact OD2-CE1 2.78Å; D1102-H1106 IonicContact OD2-NE2 3.62Å
1103	G	90.8	Very high	91.4	Very high	15 Å²	15	48.6 Å²	48.6	16%	0.155	25%	0.252	C	S	.	.	S	Bend	trans	76.4	8.3	-176.2	0	0	0	0	0	114.8	R1049 T1050	R1049-G1103 WeakPolarHBondContact CG-O 3.35Å; R1049-G1103 PolarHBondContact NE-O 3.19Å; R1049-G1103 PolarHBondContact NH2-O 2.76Å; T1050-G1103 WeakPolarHBondContact O-CA 3.45Å; T1050-G1103 PolarHBondContact O-N 2.82Å
1104	Q	91.7	Very high	91.3	Very high	114 Å²	114	52.6 Å²	52.6	53%	0.533	27%	0.27	S	S	.	.	S	Bend	trans	-88.6	166.7	170.4	-57.4	-177.7	32	0	0	110.8	R1049 D1102	R1049-Q1104 WeakPolarHBondContact CA-O 3.47Å; R1049-Q1104 WeakPolarHBondContact CG-O 3.4Å; D1102-Q1104 VanDerWaalsContact C-N 3.29Å; D1102-Q1104 PolarHBondContact O-N 3.31Å; D1102-Q1104 VanDerWaalsContact OD1-CB 3.28Å; D1102-Q1104 WeakPolarHBondContact OD1-CB 3.31Å; D1102-Q1104 PolarHBondContact OD1-N 3.16Å; D1102-Q1104 PolarHBondContact OD2-NE2 3.26Å
1105	L	92.2	Very high	91.2	Very high	48 Å²	48	51.9 Å²	51.9	25%	0.251	27%	0.267	S	S	.	.			trans	-89.8	119	176	-176	67.5	0	0	0	109.1	R1049 C1204	R1049-L1105 HydrophobicContact CB-CD1 4.22Å; L1105-C1204 HydrophobicContact CD1-CB 3.81Å
1106	H	93.5	Very high	91.3	Very high	1 Å²	1	53 Å²	53	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	137.1	177.8	-68.6	-64.4	0	0	0	111.5	S1047 F1048 M1100 D1102 D1122	S1047-H1106 CarbonylContact C-O 3.58Å; S1047-H1106 WeakPolarHBondContact CA-O 3.48Å; S1047-H1106 VanDerWaalsContact CB-O 3.31Å; S1047-H1106 WeakPolarHBondContact CB-O 3.34Å; F1048-H1106 HydrophobicContact CD1-CB 4.12Å; F1048-H1106 HydrophobicContact CE1-CB 3.71Å; F1048-H1106 HydrophobicContact CE2-CB 4.45Å; F1048-H1106 HydrophobicContact CZ-CB 3.9Å; F1048-H1106 PolarHBondContact N-O 2.04Å; F1048-H1106 PolarHBondContact O-N 2.88Å; M1100-H1106 PolarHBondContact O-CD2 3Å; M1100-H1106 VanDerWaalsContact SD-CE1 3.58Å; D1102-H1106 IonicContact OD1-CD2 3.96Å; D1102-H1106 IonicContact OD1-NE2 2.74Å; D1102-H1106 PolarHBondContact OD1-NE2 3.31Å; D1102-H1106 VanDerWaalsContact OD1-NE2 3.13Å; D1102-H1106 IonicContact OD2-CE1 2.78Å; D1102-H1106 IonicContact OD2-NE2 3.62Å; H1106-D1122 WeakPolarHBondContact CA-OD1 3.45Å; H1106-D1122 IonicContact CE1-OD2 3.49Å; H1106-D1122 IonicContact CG-OD2 3.89Å; H1106-D1122 IonicContact ND1-OD1 3.78Å; H1106-D1122 IonicContact ND1-OD2 3.82Å; H1106-D1122 PolarHBondContact ND1-OD2 2.91Å
1107	H	93.7	Very high	92	Very high	76 Å²	76	48.4 Å²	48.4	35%	0.352	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	119.1	177.9	-62.8	74.1	0	0	0	109.8	S1047 I1121 D1122	S1047-H1107 PolarHBondContact OG-CD2 3.14Å; S1047-H1107 PolarHBondContact OG-NE2 2.79Å; H1107-I1121 CarbonylContact O-C 3.56Å; H1107-I1121 WeakPolarHBondContact O-CA 3.39Å; H1107-D1122 PolarHBondContact N-OD1 2.86Å; H1107-D1122 PolarHBondContact O-N 3.28Å
1108	I	94.8	Very high	92.9	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.026	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.9	-177.1	-53.3	-57.4	0	0	0	109.6	K1045 F1046 F1048 L1078 I1110 I1121	K1045-I1108 VanDerWaalsContact CA-O 3.31Å; K1045-I1108 WeakPolarHBondContact CA-O 3.48Å; F1046-I1108 HydrophobicContact CD1-CB 4.32Å; F1046-I1108 HydrophobicContact CE1-CB 3.95Å; F1046-I1108 HydrophobicContact CE1-CG2 3.95Å; F1046-I1108 HydrophobicContact CE2-CB 4.44Å; F1046-I1108 HydrophobicContact CE2-CG1 4.25Å; F1046-I1108 HydrophobicContact CZ-CB 4.02Å; F1046-I1108 HydrophobicContact CZ-CG1 4.08Å; F1046-I1108 HydrophobicContact CZ-CG2 4.19Å; F1046-I1108 PolarHBondContact N-O 3.47Å; F1046-I1108 PolarHBondContact O-N 2.82Å; F1048-I1108 HydrophobicContact CD1-CG1 4Å; F1048-I1108 HydrophobicContact CE1-CD1 4.03Å; F1048-I1108 HydrophobicContact CE1-CG1 3.67Å; L1078-I1108 HydrophobicContact CD2-CD1 3.53Å; L1078-I1108 HydrophobicContact CD2-CG1 4.28Å; I1108-I1110 HydrophobicContact CG2-CD1 4.04Å; I1108-I1110 HydrophobicContact CG2-CG1 3.96Å; I1108-I1121 HydrophobicContact CD1-CB 4.21Å; I1108-I1121 HydrophobicContact CD1-CD1 4.49Å; I1108-I1121 HydrophobicContact CD1-CG1 3.88Å; I1108-I1121 HydrophobicContact CD1-CG2 3.8Å
1109	K	95.3	Very high	93.4	Very high	79 Å²	79	37.6 Å²	37.6	34%	0.343	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	120.8	171.3	175.4	178.3	162.8	-145	0	109.8	I1044 K1045 V1119 E1120	I1044-K1109 CarbonylContact O-C 3.54Å; I1044-K1109 WeakPolarHBondContact O-CA 3.33Å; K1045-K1109 HydrophobicContact CD-CD 4.43Å; K1045-K1109 HydrophobicContact CD-CG 4.38Å; K1045-K1109 HydrophobicContact CG-CB 4.07Å; K1045-K1109 HydrophobicContact CG-CD 4.37Å; K1045-K1109 HydrophobicContact CG-CG 3.82Å; K1109-V1119 WeakPolarHBondContact O-CA 3.49Å; K1109-E1120 HydrophobicContact CB-CB 4.26Å; K1109-E1120 WeakPolarHBondContact CD-OE2 3.35Å; K1109-E1120 WeakPolarHBondContact CE-OE2 3.42Å; K1109-E1120 PolarHBondContact N-O 3.29Å; K1109-E1120 IonicContact NZ-OE1 3.79Å; K1109-E1120 IonicContact NZ-OE2 2.78Å; K1109-E1120 PolarHBondContact NZ-OE2 2.88Å; K1109-E1120 PolarHBondContact O-N 3.34Å
1110	I	96.2	Very high	93.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	131.8	179.1	-55.7	163.9	0	0	0	107.5	M1043 I1044 I1070 I1080 I1108 V1117 F1118 V1119	M1043-I1110 CarbonylContact C-O 3.57Å; M1043-I1110 WeakPolarHBondContact CA-O 3.39Å; I1044-I1110 HydrophobicContact CB-CB 4.2Å; I1044-I1110 PolarHBondContact N-O 2.04Å; I1044-I1110 PolarHBondContact O-N 3.49Å; I1070-I1110 HydrophobicContact CD1-CD1 3.42Å; I1070-I1110 VanDerWaalsContact CD1-CD1 3.42Å; I1070-I1110 HydrophobicContact CG1-CD1 4.15Å; I1080-I1110 HydrophobicContact CD1-CD1 3.5Å; I1080-I1110 VanDerWaalsContact CD1-CD1 3.5Å; I1080-I1110 HydrophobicContact CD1-CG1 3.81Å; I1080-I1110 HydrophobicContact CG1-CD1 3.85Å; I1080-I1110 HydrophobicContact CG2-CD1 4.29Å; I1108-I1110 HydrophobicContact CG2-CD1 4.04Å; I1108-I1110 HydrophobicContact CG2-CG1 3.96Å; I1110-V1117 HydrophobicContact CG2-CG1 3.79Å; I1110-F1118 CarbonylContact C-O 3.53Å; I1110-F1118 VanDerWaalsContact CA-O 3.26Å; I1110-F1118 WeakPolarHBondContact CA-O 3.36Å; I1110-V1119 HydrophobicContact CG1-CG1 4.24Å; I1110-V1119 HydrophobicContact CG1-CG2 4.42Å; I1110-V1119 HydrophobicContact CG2-CG2 4.49Å
1111	N	95.4	Very high	93.5	Very high	37 Å²	37	37.4 Å²	37.4	20%	0.198	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	119.8	173.4	-172.2	66.9	0	0	0	108.2	E1042 E1113 F1118	E1042-N1111 WeakPolarHBondContact O-CA 3.46Å; N1111-E1113 PolarHBondContact ND2-OE1 3.06Å; N1111-E1113 VanDerWaalsContact ND2-OE1 3.07Å; N1111-F1118 HydrophobicContact CB-CB 4.47Å; N1111-F1118 PolarHBondContact N-O 3.1Å; N1111-F1118 WeakPolarHBondContact O-CD2 3.35Å; N1111-F1118 PolarHBondContact O-N 3.14Å
1112	R	95.1	Very high	93.3	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	134.1	173.4	-173.1	-179.1	68	91.4	1.2	110.2	L1039 S1040 R1041 E1042 E1114 M1116 V1117 L1131 T1135	L1039-R1112 PolarHBondContact O-NH2 3.07Å; S1040-R1112 PolarHBondContact O-NH1 3.3Å; R1041-R1112 WeakPolarHBondContact CA-O 3.41Å; R1041-R1112 WeakPolarHBondContact CB-O 3.26Å; E1042-R1112 PolarHBondContact N-O 3.36Å; E1042-R1112 VanDerWaalsContact N-O 3.14Å; E1042-R1112 PolarHBondContact O-N 2.83Å; E1042-R1112 VanDerWaalsContact OE1-CB 3.25Å; E1042-R1112 WeakPolarHBondContact OE1-CB 3.31Å; E1042-R1112 WeakPolarHBondContact OE1-CD 3.25Å; E1042-R1112 IonicContact OE1-CZ 3.76Å; E1042-R1112 IonicContact OE1-NE 2.77Å; E1042-R1112 PolarHBondContact OE1-NE 3.45Å; E1042-R1112 IonicContact OE1-NH2 3.87Å; E1042-R1112 IonicContact OE2-CZ 3.15Å; E1042-R1112 IonicContact OE2-NE 2.89Å; E1042-R1112 PolarHBondContact OE2-NE 3.43Å; E1042-R1112 IonicContact OE2-NH2 2.67Å; E1042-R1112 PolarHBondContact OE2-NH2 2.92Å; R1112-E1114 WeakPolarHBondContact CD-O 3.28Å; R1112-E1114 WeakPolarHBondContact CG-O 3.48Å; R1112-E1114 PolarHBondContact NH1-O 3.21Å; R1112-M1116 CarbonylContact C-O 3.57Å; R1112-M1116 VanDerWaalsContact CA-O 3.3Å; R1112-M1116 WeakPolarHBondContact CA-O 3.34Å; R1112-V1117 HydrophobicContact CB-CG2 4.14Å; R1112-V1117 HydrophobicContact CG-CG2 3.76Å; R1112-L1131 HydrophobicContact CG-CD1 4.5Å; R1112-T1135 PolarHBondContact NH1-O 2.96Å
1113	E	93	Very high	92.6	Very high	107 Å²	107	45.4 Å²	45.4	50%	0.5	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	107.7	170	-71.1	173.5	-156.7	0	0	108	N1111 G1115 M1116	N1111-E1113 PolarHBondContact ND2-OE1 3.06Å; N1111-E1113 VanDerWaalsContact ND2-OE1 3.07Å; E1113-G1115 PolarHBondContact O-N 3.46Å; E1113-M1116 PolarHBondContact N-O 3.15Å; E1113-M1116 WeakPolarHBondContact O-CB 3.48Å; E1113-M1116 PolarHBondContact O-N 2.84Å
1114	E	91.5	Very high	92.1	Very high	87 Å²	87	49.6 Å²	49.6	41%	0.407	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	-120	-173.4	-57.8	-64.2	151.8	0	0	110.7	S1040 R1112 M1116 T1135	S1040-E1114 WeakPolarHBondContact CB-OE1 3.44Å; S1040-E1114 WeakPolarHBondContact O-CA 3.49Å; S1040-E1114 PolarHBondContact O-N 3.13Å; S1040-E1114 PolarHBondContact OG-OE1 3.31Å; R1112-E1114 WeakPolarHBondContact CD-O 3.28Å; R1112-E1114 WeakPolarHBondContact CG-O 3.48Å; R1112-E1114 PolarHBondContact NH1-O 3.21Å; E1114-M1116 VanDerWaalsContact C-N 3.33Å; E1114-T1135 HydrophobicContact CB-CG2 4.35Å; E1114-T1135 WeakPolarHBondContact OE2-CB 3.47Å
1115	G	90.2	Very high	91.3	Very high	11 Å²	11	51 Å²	51	11%	0.113	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-4.4	176.3	0	0	0	0	0	114.5	E1113 Y1130 L1131	E1113-G1115 PolarHBondContact O-N 3.46Å; G1115-Y1130 CarbonylContact O-C 3.5Å; G1115-Y1130 WeakPolarHBondContact O-CA 3.35Å; G1115-L1131 PolarHBondContact O-N 2.85Å
1116	M	95	Very high	90.8	Very high	45 Å²	45	54.5 Å²	54.5	22%	0.222	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	121.3	-173.7	-168	176.8	-53.3	0	0	111.5	R1112 E1113 E1114 F1118 Y1130	R1112-M1116 CarbonylContact C-O 3.57Å; R1112-M1116 VanDerWaalsContact CA-O 3.3Å; R1112-M1116 WeakPolarHBondContact CA-O 3.34Å; E1113-M1116 PolarHBondContact N-O 3.15Å; E1113-M1116 WeakPolarHBondContact O-CB 3.48Å; E1113-M1116 PolarHBondContact O-N 2.84Å; E1114-M1116 VanDerWaalsContact C-N 3.33Å; M1116-F1118 HydrophobicContact CB-CE2 4.49Å; M1116-F1118 HydrophobicContact CG-CD2 4.41Å; M1116-F1118 HydrophobicContact CG-CE1 4.48Å; M1116-F1118 HydrophobicContact CG-CE2 3.82Å; M1116-F1118 HydrophobicContact CG-CZ 3.88Å; M1116-F1118 HydrophobicContact SD-CE1 3.92Å; M1116-F1118 HydrophobicContact SD-CE2 3.69Å; M1116-F1118 HydrophobicContact SD-CZ 3.22Å; M1116-F1118 WeakPolarHBondContact SD-CZ 3.27Å; M1116-Y1130 HydrophobicContact CB-CE1 4.49Å; M1116-Y1130 HydrophobicContact CE-CE1 3.59Å; M1116-Y1130 HydrophobicContact CE-CE2 4.17Å; M1116-Y1130 WeakPolarHBondContact CE-OH 3.31Å
1117	V	95.9	Very high	90.6	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	130.3	177.8	-178.4	0	0	0	0	109.9	Y1082 I1093 I1110 R1112 V1119 Q1128 T1129 L1131	Y1082-V1117 HydrophobicContact CD2-CG2 4.28Å; Y1082-V1117 HydrophobicContact CE2-CG1 4.29Å; Y1082-V1117 HydrophobicContact CE2-CG2 3.9Å; I1093-V1117 HydrophobicContact CD1-CB 4Å; I1093-V1117 HydrophobicContact CD1-CG1 3.85Å; I1093-V1117 HydrophobicContact CD1-CG2 4.47Å; I1110-V1117 HydrophobicContact CG2-CG1 3.79Å; R1112-V1117 HydrophobicContact CB-CG2 4.14Å; R1112-V1117 HydrophobicContact CG-CG2 3.76Å; V1117-V1119 HydrophobicContact CG1-CG2 3.92Å; V1117-Q1128 CarbonylContact O-C 3.51Å; V1117-Q1128 VanDerWaalsContact O-CA 3.31Å; V1117-Q1128 WeakPolarHBondContact O-CA 2.93Å; V1117-T1129 PolarHBondContact N-O 2.83Å; V1117-T1129 PolarHBondContact O-N 2.93Å; V1117-L1131 HydrophobicContact CG2-CD1 3.72Å; V1117-L1131 HydrophobicContact CG2-CD2 3.84Å; V1117-L1131 HydrophobicContact CG2-CG 3.73Å
1118	F	95.2	Very high	90.5	Very high	28 Å²	28	62.3 Å²	62.3	12%	0.123	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	134.6	172.3	-57.2	-91.8	0	0	0	110.8	I1110 N1111 M1116 R1126 R1127 Q1128	I1110-F1118 CarbonylContact C-O 3.53Å; I1110-F1118 VanDerWaalsContact CA-O 3.26Å; I1110-F1118 WeakPolarHBondContact CA-O 3.36Å; N1111-F1118 HydrophobicContact CB-CB 4.47Å; N1111-F1118 PolarHBondContact N-O 3.1Å; N1111-F1118 WeakPolarHBondContact O-CD2 3.35Å; N1111-F1118 PolarHBondContact O-N 3.14Å; M1116-F1118 HydrophobicContact CB-CE2 4.49Å; M1116-F1118 HydrophobicContact CG-CD2 4.41Å; M1116-F1118 HydrophobicContact CG-CE1 4.48Å; M1116-F1118 HydrophobicContact CG-CE2 3.82Å; M1116-F1118 HydrophobicContact CG-CZ 3.88Å; M1116-F1118 HydrophobicContact SD-CE1 3.92Å; M1116-F1118 HydrophobicContact SD-CE2 3.69Å; M1116-F1118 HydrophobicContact SD-CZ 3.22Å; M1116-F1118 WeakPolarHBondContact SD-CZ 3.27Å; F1118-R1126 HydrophobicContact CB-CG 4.01Å; F1118-R1126 HydrophobicContact CD1-CG 4.08Å; F1118-R1126 VanDerWaalsContact CD1-NH2 3.28Å; F1118-R1126 VanDerWaalsContact CE2-NH2 3.33Å; F1118-R1126 VanDerWaalsContact CG-CZ 3.46Å; F1118-R1127 CarbonylContact C-O 3.54Å; F1118-R1127 WeakPolarHBondContact CA-O 3.35Å; F1118-Q1128 HydrophobicContact CD1-CB 3.78Å; F1118-Q1128 HydrophobicContact CE1-CB 3.94Å
1119	V	94.7	Very high	90.3	Very high	2 Å²	2	64 Å²	64	1%	0.012	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	127.6	-177.5	-171.6	0	0	0	0	109.6	I1080 F1095 K1109 I1110 V1117 I1121 R1126 R1127	I1080-V1119 HydrophobicContact CD1-CB 4.22Å; I1080-V1119 HydrophobicContact CD1-CG1 3.61Å; I1080-V1119 HydrophobicContact CD1-CG2 3.51Å; F1095-V1119 HydrophobicContact CE1-CG1 4.41Å; F1095-V1119 HydrophobicContact CE2-CB 4.36Å; F1095-V1119 HydrophobicContact CE2-CG1 3.91Å; F1095-V1119 HydrophobicContact CE2-CG2 4.48Å; F1095-V1119 HydrophobicContact CZ-CB 3.72Å; F1095-V1119 HydrophobicContact CZ-CG1 3.57Å; F1095-V1119 HydrophobicContact CZ-CG2 4.14Å; K1109-V1119 WeakPolarHBondContact O-CA 3.49Å; I1110-V1119 HydrophobicContact CG1-CG1 4.24Å; I1110-V1119 HydrophobicContact CG1-CG2 4.42Å; I1110-V1119 HydrophobicContact CG2-CG2 4.49Å; V1117-V1119 HydrophobicContact CG1-CG2 3.92Å; V1119-I1121 HydrophobicContact CG1-CD1 4.47Å; V1119-I1121 HydrophobicContact CG1-CG1 4.09Å; V1119-R1126 WeakPolarHBondContact O-CA 3.12Å; V1119-R1127 PolarHBondContact N-O 3.06Å; V1119-R1127 PolarHBondContact O-N 2.83Å
1120	E	93.3	Very high	90.2	Very high	48 Å²	48	68.2 Å²	68.2	22%	0.224	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	131.8	171.7	-72.6	165.5	-166.9	0	0	108.1	K1109 R1126	K1109-E1120 HydrophobicContact CB-CB 4.26Å; K1109-E1120 WeakPolarHBondContact CD-OE2 3.35Å; K1109-E1120 WeakPolarHBondContact CE-OE2 3.42Å; K1109-E1120 PolarHBondContact N-O 3.29Å; K1109-E1120 IonicContact NZ-OE1 3.79Å; K1109-E1120 IonicContact NZ-OE2 2.78Å; K1109-E1120 PolarHBondContact NZ-OE2 2.88Å; K1109-E1120 PolarHBondContact O-N 3.34Å; E1120-R1126 HydrophobicContact CG-CB 3.74Å; E1120-R1126 HydrophobicContact CG-CG 3.91Å; E1120-R1126 WeakPolarHBondContact OE1-CD 3.36Å; E1120-R1126 IonicContact OE1-NE 3.98Å
1121	I	91.4	Very high	90	Very high	15 Å²	15	69.1 Å²	69.1	8%	0.077	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	123.3	179	-56	178.5	0	0	0	107.6	L1078 F1095 M1100 H1107 I1108 V1119 E1123 N1124	L1078-I1121 HydrophobicContact CD2-CD1 3.76Å; L1078-I1121 HydrophobicContact CD2-CG1 4.37Å; F1095-I1121 HydrophobicContact CB-CD1 4.12Å; F1095-I1121 HydrophobicContact CD1-CD1 3.49Å; F1095-I1121 VanDerWaalsContact CD1-CD1 3.49Å; F1095-I1121 HydrophobicContact CD2-CD1 3.9Å; F1095-I1121 HydrophobicContact CE1-CD1 3.79Å; F1095-I1121 HydrophobicContact CE2-CD1 4.19Å; F1095-I1121 HydrophobicContact CG-CD1 3.56Å; F1095-I1121 HydrophobicContact CZ-CD1 4.15Å; M1100-I1121 HydrophobicContact CE-CD1 4.27Å; M1100-I1121 HydrophobicContact CE-CG2 3.85Å; H1107-I1121 CarbonylContact O-C 3.56Å; H1107-I1121 WeakPolarHBondContact O-CA 3.39Å; I1108-I1121 HydrophobicContact CD1-CB 4.21Å; I1108-I1121 HydrophobicContact CD1-CD1 4.49Å; I1108-I1121 HydrophobicContact CD1-CG1 3.88Å; I1108-I1121 HydrophobicContact CD1-CG2 3.8Å; V1119-I1121 HydrophobicContact CG1-CD1 4.47Å; V1119-I1121 HydrophobicContact CG1-CG1 4.09Å; I1121-E1123 PolarHBondContact O-N 2.94Å; I1121-N1124 WeakPolarHBondContact O-CB 3.5Å; I1121-N1124 PolarHBondContact O-N 2.84Å; I1121-N1124 PolarHBondContact O-ND2 2.78Å
1122	D	88.8	Confident	89.8	Confident	49 Å²	49	71.7 Å²	71.7	26%	0.262	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	39.2	178.4	-58.2	-30.5	0	0	0	113.3	H1106 H1107 N1124	H1106-D1122 WeakPolarHBondContact CA-OD1 3.45Å; H1106-D1122 IonicContact CE1-OD2 3.49Å; H1106-D1122 IonicContact CG-OD2 3.89Å; H1106-D1122 IonicContact ND1-OD1 3.78Å; H1106-D1122 IonicContact ND1-OD2 3.82Å; H1106-D1122 PolarHBondContact ND1-OD2 2.91Å; H1107-D1122 PolarHBondContact N-OD1 2.86Å; H1107-D1122 PolarHBondContact O-N 3.28Å; D1122-N1124 PolarHBondContact O-N 3.28Å
1123	E	77	Confident	89.1	Confident	187 Å²	187	71.8 Å²	71.8	87%	0.874	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	14	-176.7	-53.3	-173.1	168.4	0	0	115	I1121	I1121-E1123 PolarHBondContact O-N 2.94Å
1124	N	79.4	Confident	88.8	Confident	103 Å²	103	67.9 Å²	67.9	55%	0.551	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-71.1	169	172.4	-64.5	-58.5	0	0	0	111.8	I1121 D1122 R1126	I1121-N1124 WeakPolarHBondContact O-CB 3.5Å; I1121-N1124 PolarHBondContact O-N 2.84Å; I1121-N1124 PolarHBondContact O-ND2 2.78Å; D1122-N1124 PolarHBondContact O-N 3.28Å; N1124-R1126 PolarHBondContact O-N 3.16Å
1125	T	75.1	Confident	88.7	Confident	142 Å²	142	67.1 Å²	67.1	87%	0.871	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-46	125.6	178.4	8.7	0	0	0	0	113.3	R1127	T1125-R1127 PolarHBondContact O-N 3.08Å
1126	R	82	Confident	88.7	Confident	123 Å²	123	70 Å²	70	46%	0.464	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-59.1	116.2	177.3	-173.9	178.4	-175.8	-169.4	-6.8	111	F1118 V1119 E1120 N1124	F1118-R1126 HydrophobicContact CB-CG 4.01Å; F1118-R1126 HydrophobicContact CD1-CG 4.08Å; F1118-R1126 VanDerWaalsContact CD1-NH2 3.28Å; F1118-R1126 VanDerWaalsContact CE2-NH2 3.33Å; F1118-R1126 VanDerWaalsContact CG-CZ 3.46Å; V1119-R1126 WeakPolarHBondContact O-CA 3.12Å; E1120-R1126 HydrophobicContact CG-CB 3.74Å; E1120-R1126 HydrophobicContact CG-CG 3.91Å; E1120-R1126 WeakPolarHBondContact OE1-CD 3.36Å; E1120-R1126 IonicContact OE1-NE 3.98Å; N1124-R1126 PolarHBondContact O-N 3.16Å
1127	R	89	Confident	88.4	Confident	116 Å²	116	67.8 Å²	67.8	44%	0.438	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	132.2	173.1	-171.8	178.2	-176.4	-175.6	0.7	109.6	S1094 F1095 F1118 V1119 T1125	S1094-R1127 PolarHBondContact O-NH1 2.65Å; F1095-R1127 HydrophobicContact CE1-CB 4.18Å; F1095-R1127 HydrophobicContact CZ-CB 4.44Å; F1118-R1127 CarbonylContact C-O 3.54Å; F1118-R1127 WeakPolarHBondContact CA-O 3.35Å; V1119-R1127 PolarHBondContact N-O 3.06Å; V1119-R1127 PolarHBondContact O-N 2.83Å; T1125-R1127 PolarHBondContact O-N 3.08Å
1128	Q	91.7	Very high	88	Confident	125 Å²	125	68.4 Å²	68.4	58%	0.584	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.9	140	175	68.1	-175	4.5	0	0	111.1	V1117 F1118	V1117-Q1128 CarbonylContact O-C 3.51Å; V1117-Q1128 VanDerWaalsContact O-CA 3.31Å; V1117-Q1128 WeakPolarHBondContact O-CA 2.93Å; F1118-Q1128 HydrophobicContact CD1-CB 3.78Å; F1118-Q1128 HydrophobicContact CE1-CB 3.94Å
1129	T	91.8	Very high	87.6	Confident	41 Å²	41	67.2 Å²	67.2	25%	0.252	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	146.8	178	-49.9	0	0	0	0	109.7	I1093 V1117	I1093-T1129 HydrophobicContact CD1-CG2 4.34Å; I1093-T1129 HydrophobicContact CG1-CG2 4.13Å; V1117-T1129 PolarHBondContact N-O 2.83Å; V1117-T1129 PolarHBondContact O-N 2.93Å
1130	Y	93	Very high	87.3	Confident	166 Å²	166	67.3 Å²	67.3	65%	0.651	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	136.6	174.3	-77	-93.1	0	0	0	110.8	G1115 M1116	G1115-Y1130 CarbonylContact O-C 3.5Å; G1115-Y1130 WeakPolarHBondContact O-CA 3.35Å; M1116-Y1130 HydrophobicContact CB-CE1 4.49Å; M1116-Y1130 HydrophobicContact CE-CE1 3.59Å; M1116-Y1130 HydrophobicContact CE-CE2 4.17Å; M1116-Y1130 WeakPolarHBondContact CE-OH 3.31Å
1131	L	92.7	Very high	87	Confident	19 Å²	19	67.9 Å²	67.9	10%	0.099	34%	0.343	C	S	.	.			trans	-85.1	132.9	175.5	-58.8	-178.1	0	0	0	110.4	Y1082 L1084 D1091 R1112 G1115 V1117	Y1082-L1131 HydrophobicContact CD1-CD1 3.97Å; Y1082-L1131 HydrophobicContact CD2-CD1 4.18Å; Y1082-L1131 HydrophobicContact CD2-CD2 3.99Å; Y1082-L1131 HydrophobicContact CG-CD1 3.78Å; Y1082-L1131 HydrophobicContact CG-CD2 4.08Å; L1084-L1131 HydrophobicContact CD1-CD1 3.77Å; D1091-L1131 HydrophobicContact CB-CD2 3.65Å; D1091-L1131 WeakPolarHBondContact OD2-CB 3.45Å; R1112-L1131 HydrophobicContact CG-CD1 4.5Å; G1115-L1131 PolarHBondContact O-N 2.85Å; V1117-L1131 HydrophobicContact CG2-CD1 3.72Å; V1117-L1131 HydrophobicContact CG2-CD2 3.84Å; V1117-L1131 HydrophobicContact CG2-CG 3.73Å
1132	S	89.6	Confident	87	Confident	91 Å²	91	67.7 Å²	67.7	64%	0.636	34%	0.343	S	S	*	.	S	Bend	trans	-95.6	-17.3	173.2	67.7	0	0	0	0	112.8	D1091	D1091-S1132 VanDerWaalsContact CG-N 3.28Å; D1091-S1132 WeakPolarHBondContact OD1-CB 3.06Å; D1091-S1132 PolarHBondContact OD1-N 2.78Å; D1091-S1132 PolarHBondContact OD1-OG 3.49Å; D1091-S1132 PolarHBondContact OD2-N 2.8Å
1133	S	81.5	Confident	87.2	Confident	2 Å²	2	65.3 Å²	65.3	1%	0.014	33%	0.33	C	S	.	.	S	Bend	trans	-75.7	-20	-178.8	62.9	0	0	0	0	114	Y1082 L1084 N1085 D1091	Y1082-S1133 PolarHBondContact O-OG 2.06Å; L1084-S1133 CarbonylContact C-O 3.32Å; L1084-S1133 PolarHBondContact N-OG 2.85Å; N1085-S1133 WeakPolarHBondContact CB-O 3.34Å; N1085-S1133 PolarHBondContact N-O 3.18Å; D1091-S1133 WeakPolarHBondContact OD2-CB 3.44Å; D1091-S1133 PolarHBondContact OD2-N 3.43Å; D1091-S1133 PolarHBondContact OD2-OG 2.86Å
1134	G	86.2	Confident	88.1	Confident	25 Å²	25	56.7 Å²	56.7	26%	0.258	29%	0.29	S	S	.	.			trans	152.7	-177.5	178.4	0	0	0	0	0	113.2	L1084	L1084-G1134 WeakPolarHBondContact CD1-O 3.27Å
1135	T	88.9	Confident	88.9	Confident	71 Å²	71	51.8 Å²	51.8	44%	0.436	26%	0.264	S	S	.	.	S	Bend	trans	-120.9	-8.2	177.7	64.6	0	0	0	0	113.5	R1112 E1114	R1112-T1135 PolarHBondContact NH1-O 2.96Å; E1114-T1135 HydrophobicContact CB-CG2 4.35Å; E1114-T1135 WeakPolarHBondContact OE2-CB 3.47Å
1136	E	89.6	Confident	89.8	Confident	71 Å²	71	45 Å²	45	33%	0.332	22%	0.222	S	C	.	.			trans	-125.8	132.5	-174.7	-169.1	177.9	179.6	0	0	109.4	K1038	K1038-E1136 HydrophobicContact CB-CG 4.39Å; K1038-E1136 WeakPolarHBondContact CB-OE1 3.49Å; K1038-E1136 WeakPolarHBondContact CD-OE1 3.22Å; K1038-E1136 WeakPolarHBondContact CE-OE1 3.41Å; K1038-E1136 WeakPolarHBondContact CG-OE1 3.43Å; K1038-E1136 IonicContact NZ-OE1 2.94Å; K1038-E1136 PolarHBondContact NZ-OE1 3.07Å
1137	F	90.8	Very high	90.3	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-107.3	105.6	171.6	-173.1	-157.8	0	0	0	108.2	L1039 M1060 E1066 L1084 V1140	L1039-F1137 HydrophobicContact CB-CB 4.29Å; L1039-F1137 HydrophobicContact CD1-CD1 4.42Å; L1039-F1137 PolarHBondContact N-O 3.13Å; L1039-F1137 PolarHBondContact O-N 2.73Å; M1060-F1137 HydrophobicContact CB-CE1 3.9Å; M1060-F1137 HydrophobicContact CB-CZ 4.12Å; M1060-F1137 HydrophobicContact CE-CD1 4.39Å; M1060-F1137 HydrophobicContact CE-CE1 3.89Å; M1060-F1137 HydrophobicContact SD-CE1 4.47Å; E1066-F1137 HydrophobicContact CB-CD2 3.79Å; E1066-F1137 HydrophobicContact CB-CE2 3.66Å; L1084-F1137 HydrophobicContact CD2-CB 3.63Å; L1084-F1137 HydrophobicContact CD2-CD2 3.97Å; L1084-F1137 HydrophobicContact CD2-CG 3.89Å; F1137-V1140 HydrophobicContact CD1-CG2 3.73Å; F1137-V1140 HydrophobicContact CD2-CG2 4.38Å; F1137-V1140 HydrophobicContact CE1-CG1 4.33Å; F1137-V1140 HydrophobicContact CE1-CG2 3.76Å; F1137-V1140 HydrophobicContact CE2-CG2 4.41Å; F1137-V1140 HydrophobicContact CG-CG2 4.05Å; F1137-V1140 HydrophobicContact CZ-CG2 4.12Å
1138	S	87.4	Confident	90.3	Very high	13 Å²	13	39.5 Å²	39.5	9%	0.091	20%	0.202	C	C	.	.			trans	-101.9	151.4	-168	-67.2	0	0	0	0	111.8	S1062 E1066 V1140	S1062-S1138 WeakPolarHBondContact CB-O 3.42Å; S1062-S1138 PolarHBondContact OG-O 2.88Å; E1066-S1138 PolarHBondContact OE2-N 2.93Å; S1138-V1140 PolarHBondContact O-N 3.41Å
1139	A	85.9	Confident	89.8	Confident	3 Å²	3	40.2 Å²	40.2	3%	0.025	21%	0.21	C	C	.	.	S	Bend	trans	52	47.4	172.1	0	0	0	0	0	114.1	A1031 M1037 S1062 F1063 Y1064 K1141	A1031-A1139 HydrophobicContact CB-CB 4.36Å; M1037-A1139 PolarHBondContact O-N 3.14Å; M1037-A1139 VanDerWaalsContact O-N 3.1Å; S1062-A1139 VanDerWaalsContact CA-O 3.28Å; S1062-A1139 WeakPolarHBondContact CA-O 3.29Å; S1062-A1139 PolarHBondContact OG-O 3.42Å; F1063-A1139 HydrophobicContact CB-CB 4.21Å; F1063-A1139 HydrophobicContact CD2-CB 4.21Å; F1063-A1139 VanDerWaalsContact CD2-O 3.28Å; F1063-A1139 WeakPolarHBondContact CD2-O 3.26Å; F1063-A1139 PolarHBondContact N-O 2.88Å; Y1064-A1139 HydrophobicContact CD2-CB 3.81Å; Y1064-A1139 HydrophobicContact CE2-CB 3.66Å; Y1064-A1139 HydrophobicContact CG-CB 4.47Å; A1139-K1141 PolarHBondContact O-N 3.18Å
1140	V	87.7	Confident	89	Confident	3 Å²	3	44.4 Å²	44.4	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	126	178.9	-175.9	0	0	0	0	110.6	F1016 M1037 L1039 F1137 S1138	F1016-V1140 HydrophobicContact CD2-CG1 3.68Å; F1016-V1140 HydrophobicContact CE2-CG1 3.61Å; F1016-V1140 HydrophobicContact CG-CG1 4.33Å; F1016-V1140 HydrophobicContact CZ-CG1 4.19Å; M1037-V1140 HydrophobicContact CE-CB 3.66Å; M1037-V1140 HydrophobicContact CE-CG1 4.06Å; M1037-V1140 HydrophobicContact CE-CG2 4.14Å; L1039-V1140 HydrophobicContact CD1-CG2 3.86Å; L1039-V1140 HydrophobicContact CG-CG2 4.31Å; F1137-V1140 HydrophobicContact CD1-CG2 3.73Å; F1137-V1140 HydrophobicContact CD2-CG2 4.38Å; F1137-V1140 HydrophobicContact CE1-CG1 4.33Å; F1137-V1140 HydrophobicContact CE1-CG2 3.76Å; F1137-V1140 HydrophobicContact CE2-CG2 4.41Å; F1137-V1140 HydrophobicContact CG-CG2 4.05Å; F1137-V1140 HydrophobicContact CZ-CG2 4.12Å; S1138-V1140 PolarHBondContact O-N 3.41Å
1141	K	87.9	Confident	88.2	Confident	60 Å²	60	40.3 Å²	40.3	26%	0.261	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-59.5	-174.4	174.9	-174.7	174.4	-169	0	111.7	F1016 S1061 F1063 A1139 E1150	F1016-K1141 PolarHBondContact N-O 3.19Å; F1016-K1141 VanDerWaalsContact N-O 3.09Å; S1061-K1141 PolarHBondContact O-N 3.07Å; F1063-K1141 HydrophobicContact CD1-CD 4.32Å; F1063-K1141 HydrophobicContact CD2-CB 4.1Å; F1063-K1141 HydrophobicContact CE1-CB 4.35Å; F1063-K1141 HydrophobicContact CE1-CD 3.94Å; F1063-K1141 HydrophobicContact CE1-CG 3.95Å; F1063-K1141 HydrophobicContact CE2-CB 3.79Å; F1063-K1141 HydrophobicContact CE2-CG 4.09Å; F1063-K1141 HydrophobicContact CG-CB 4.5Å; F1063-K1141 HydrophobicContact CZ-CB 3.93Å; F1063-K1141 HydrophobicContact CZ-CD 4.22Å; F1063-K1141 HydrophobicContact CZ-CG 3.69Å; A1139-K1141 PolarHBondContact O-N 3.18Å; K1141-E1150 IonicContact NZ-OE2 3.76Å
1142	S	90.9	Very high	87.4	Confident	11 Å²	11	44.2 Å²	44.2	8%	0.077	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	158	-173.6	64.2	0	0	0	0	113	Y1014 N1015 M1060 S1061	Y1014-S1142 CarbonylContact O-C 3.48Å; Y1014-S1142 VanDerWaalsContact O-CA 3.23Å; Y1014-S1142 WeakPolarHBondContact O-CA 3.45Å; Y1014-S1142 WeakPolarHBondContact O-CB 3.06Å; N1015-S1142 WeakPolarHBondContact OD1-CB 3.28Å; M1060-S1142 VanDerWaalsContact CA-O 3.29Å; M1060-S1142 WeakPolarHBondContact CA-O 3.41Å; S1061-S1142 PolarHBondContact N-O 3.3Å; S1061-S1142 PolarHBondContact OG-OG 3.4Å
1143	L	93.9	Very high	87.1	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128.7	171.1	-179.7	160.3	0	0	0	109.1	I1013 Y1014 F1016 L1058 H1059 M1060 L1145 F1175 P1180	I1013-L1143 CarbonylContact C-O 3.52Å; I1013-L1143 WeakPolarHBondContact CA-O 3.31Å; Y1014-L1143 PolarHBondContact N-O 3.11Å; Y1014-L1143 PolarHBondContact O-N 3.49Å; F1016-L1143 HydrophobicContact CE2-CB 3.86Å; F1016-L1143 HydrophobicContact CZ-CB 4.28Å; L1058-L1143 HydrophobicContact CD1-CD1 4.12Å; L1058-L1143 HydrophobicContact CD1-CG 4.45Å; L1058-L1143 HydrophobicContact CG-CD1 4.42Å; L1058-L1143 HydrophobicContact CG-CD2 4.47Å; L1058-L1143 HydrophobicContact CG-CG 4.28Å; H1059-L1143 CarbonylContact O-C 3.57Å; H1059-L1143 VanDerWaalsContact O-CA 3.28Å; H1059-L1143 WeakPolarHBondContact O-CA 3.46Å; M1060-L1143 HydrophobicContact CG-CB 3.93Å; M1060-L1143 HydrophobicContact CG-CD1 4.04Å; M1060-L1143 HydrophobicContact CG-CG 3.92Å; M1060-L1143 HydrophobicContact SD-CD1 4.12Å; L1143-L1145 HydrophobicContact CD2-CD2 3.83Å; L1143-L1145 HydrophobicContact CD2-CG 3.9Å; L1143-F1175 HydrophobicContact CD1-CB 3.87Å; L1143-F1175 HydrophobicContact CD1-CG 4.12Å; L1143-P1180 HydrophobicContact CD1-CG 3.99Å; L1143-P1180 HydrophobicContact CD2-CB 4.06Å; L1143-P1180 HydrophobicContact CD2-CG 3.75Å; L1143-P1180 HydrophobicContact CG-CG 4.49Å
1144	V	95.1	Very high	87.6	Confident	5 Å²	5	43.9 Å²	43.9	3%	0.03	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.7	-178.7	-176.4	0	0	0	0	109.7	V1012 I1013 L1058 H1059 M1148	V1012-V1144 CarbonylContact O-C 3.57Å; V1012-V1144 WeakPolarHBondContact O-CA 3.4Å; I1013-V1144 HydrophobicContact CG1-CG1 4.25Å; I1013-V1144 HydrophobicContact CG1-CG2 4.16Å; I1013-V1144 HydrophobicContact CG2-CG2 4.21Å; L1058-V1144 CarbonylContact C-O 3.57Å; L1058-V1144 WeakPolarHBondContact CA-O 3.05Å; H1059-V1144 HydrophobicContact CB-CB 4.38Å; H1059-V1144 PolarHBondContact N-O 3.13Å; H1059-V1144 PolarHBondContact O-N 3.29Å; V1144-M1148 HydrophobicContact CG1-CB 4.44Å
1145	L	95.8	Very high	87.9	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	131.4	166.9	-52.9	175.2	0	0	0	108.2	F1006 S1011 V1012 L1057 L1058 L1143 L1170 V1173 P1180	F1006-L1145 HydrophobicContact CE1-CB 4.07Å; F1006-L1145 HydrophobicContact CZ-CB 4.1Å; F1006-L1145 HydrophobicContact CZ-CD1 4.43Å; S1011-L1145 CarbonylContact C-O 3.56Å; S1011-L1145 WeakPolarHBondContact CA-O 3.17Å; S1011-L1145 WeakPolarHBondContact CB-O 3.49Å; V1012-L1145 HydrophobicContact CB-CB 4.28Å; V1012-L1145 HydrophobicContact CB-CD1 4.46Å; V1012-L1145 PolarHBondContact N-O 3.11Å; V1012-L1145 PolarHBondContact O-N 3.32Å; L1057-L1145 VanDerWaalsContact O-CD2 3.27Å; L1057-L1145 WeakPolarHBondContact O-CD2 3.21Å; L1058-L1145 HydrophobicContact CB-CD2 4Å; L1058-L1145 HydrophobicContact CD1-CD2 4.12Å; L1058-L1145 HydrophobicContact CG-CD2 4.07Å; L1143-L1145 HydrophobicContact CD2-CD2 3.83Å; L1143-L1145 HydrophobicContact CD2-CG 3.9Å; L1145-L1170 HydrophobicContact CB-CD1 4.07Å; L1145-L1170 HydrophobicContact CD1-CD1 4.26Å; L1145-L1170 HydrophobicContact CD2-CD1 4.43Å; L1145-L1170 HydrophobicContact CG-CD1 4.49Å; L1145-V1173 HydrophobicContact CD1-CB 4.47Å; L1145-V1173 HydrophobicContact CD1-CG1 4.01Å; L1145-V1173 HydrophobicContact CD1-CG2 4.37Å; L1145-V1173 HydrophobicContact CD2-CG1 4.06Å; L1145-P1180 HydrophobicContact CD1-CB 4.3Å
1146	G	93.9	Very high	88	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	83.7	-136.8	-178.7	0	0	0	0	0	113.8	L1056	L1056-G1146 WeakPolarHBondContact CD2-O 3.4Å; L1056-G1146 PolarHBondContact O-N 3.08Å
1147	R	92.6	Very high	88.2	Confident	102 Å²	102	50.2 Å²	50.2	39%	0.385	25%	0.25	S	C	.	.			trans	-76.3	140.3	-170.9	-170.3	172.8	-177.9	178.7	5	113	S1010 S1011	S1010-R1147 PolarHBondContact O-N 3.18Å; S1011-R1147 WeakPolarHBondContact CB-O 3.37Å; S1011-R1147 PolarHBondContact OG-O 2.85Å
1148	M	90.3	Very high	88.3	Confident	20 Å²	20	50.2 Å²	50.2	10%	0.099	25%	0.25	C	C	.	.			trans	-116	152.7	172.1	-166.3	171.2	59.3	0	0	110.5	L1056 H1059 V1144 E1150 Y1151 V1154 A1162	L1056-M1148 HydrophobicContact CD2-CB 4.44Å; H1059-M1148 PolarHBondContact CD2-SD 3.08Å; V1144-M1148 HydrophobicContact CG1-CB 4.44Å; M1148-E1150 WeakPolarHBondContact CE-O 3.35Å; M1148-Y1151 HydrophobicContact CE-CD1 4.19Å; M1148-Y1151 WeakPolarHBondContact O-CE1 3.27Å; M1148-Y1151 PolarHBondContact O-OH 3.29Å; M1148-V1154 HydrophobicContact CE-CG1 4.36Å; M1148-V1154 HydrophobicContact CE-CG2 4.36Å; M1148-A1162 HydrophobicContact CB-CB 4.04Å; M1148-A1162 HydrophobicContact CE-CB 3.75Å; M1148-A1162 PolarHBondContact N-O 2.86Å
1149	L	80.1	Confident	88.6	Confident	140 Å²	140	50.7 Å²	50.7	73%	0.733	26%	0.255	S	S	*	.	S	Bend	trans	-107.1	-30.2	-179.4	-70.5	165.5	0	0	0	113.8	Y1151	L1149-Y1151 WeakPolarHBondContact O-CE2 3.39Å
1150	E	75.1	Confident	89	Confident	130 Å²	130	54.4 Å²	54.4	61%	0.607	27%	0.274	S	S	*	.			trans	-100.4	122.9	178.5	-72.9	-179.1	163.2	0	0	110.3	K1141 M1148	K1141-E1150 IonicContact NZ-OE2 3.76Å; M1148-E1150 WeakPolarHBondContact CE-O 3.35Å
1151	Y	76.9	Confident	89.3	Confident	79 Å²	79	54.3 Å²	54.3	31%	0.31	27%	0.273	S	S	.	.			trans	-121.6	4.5	-176.8	-34.3	-82.2	0	0	0	114	M1148 L1149 D1153 V1154 A1162 A1163	M1148-Y1151 HydrophobicContact CE-CD1 4.19Å; M1148-Y1151 WeakPolarHBondContact O-CE1 3.27Å; M1148-Y1151 PolarHBondContact O-OH 3.29Å; L1149-Y1151 WeakPolarHBondContact O-CE2 3.39Å; Y1151-D1153 PolarHBondContact O-N 3.43Å; Y1151-V1154 WeakPolarHBondContact O-CG2 3.39Å; Y1151-V1154 PolarHBondContact O-N 2.99Å; Y1151-A1162 HydrophobicContact CD1-CB 4.06Å; Y1151-A1162 HydrophobicContact CE1-CB 4.09Å; Y1151-A1163 HydrophobicContact CE1-CB 4.27Å
1152	S	75.6	Confident	89.5	Confident	101 Å²	101	51.4 Å²	51.4	71%	0.706	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-19.7	-167.8	48.8	0	0	0	0	115.1
1153	D	83.4	Confident	89.5	Confident	60 Å²	60	52.8 Å²	52.8	32%	0.321	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	8.1	-171.7	-59.2	-48.5	0	0	0	113.7	K1065 Y1067 Y1151	K1065-D1153 HydrophobicContact CB-CB 4.11Å; K1065-D1153 WeakPolarHBondContact CD-OD1 3.4Å; K1065-D1153 WeakPolarHBondContact CE-OD1 3.45Å; K1065-D1153 HydrophobicContact CG-CB 4.22Å; K1065-D1153 IonicContact NZ-OD1 2.7Å; K1065-D1153 PolarHBondContact NZ-OD1 2.79Å; Y1067-D1153 WeakPolarHBondContact CD1-O 3.28Å; Y1067-D1153 WeakPolarHBondContact CE1-O 3.44Å; Y1151-D1153 PolarHBondContact O-N 3.43Å
1154	V	91.5	Very high	89.4	Confident	26 Å²	26	57.1 Å²	57.1	16%	0.158	29%	0.293	C	S	.	.	S	Bend	trans	-112.3	159	-179.3	-62	0	0	0	0	112.4	H1059 Y1067 M1148 Y1151 T1158 A1159	H1059-V1154 VanDerWaalsContact CE1-CG1 3.47Å; H1059-V1154 WeakPolarHBondContact CE1-CG1 3.44Å; Y1067-V1154 HydrophobicContact CD1-CG1 4.03Å; Y1067-V1154 HydrophobicContact CE1-CB 4.26Å; Y1067-V1154 HydrophobicContact CE1-CG1 4.18Å; Y1067-V1154 HydrophobicContact CG-CG1 4.27Å; M1148-V1154 HydrophobicContact CE-CG1 4.36Å; M1148-V1154 HydrophobicContact CE-CG2 4.36Å; Y1151-V1154 WeakPolarHBondContact O-CG2 3.39Å; Y1151-V1154 PolarHBondContact O-N 2.99Å; V1154-T1158 HydrophobicContact CB-CG2 3.93Å; V1154-T1158 HydrophobicContact CG1-CG2 4.08Å; V1154-T1158 HydrophobicContact CG2-CG2 4.25Å; V1154-A1159 HydrophobicContact CG2-CB 3.97Å
1155	D	92.5	Very high	89.2	Confident	20 Å²	20	56.9 Å²	56.9	11%	0.107	29%	0.291	C	S	.	.			trans	-69.3	165.5	174.2	70.7	-75.2	0	0	0	112.2	Y1067 R1081 P1090 E1157 T1158 A1159	Y1067-D1155 WeakPolarHBondContact OH-CB 3.16Å; Y1067-D1155 PolarHBondContact OH-N 2.85Å; Y1067-D1155 PolarHBondContact OH-OD1 3.3Å; R1081-D1155 IonicContact CZ-OD2 3.53Å; R1081-D1155 IonicContact NH1-OD1 3.92Å; R1081-D1155 IonicContact NH1-OD2 2.69Å; R1081-D1155 PolarHBondContact NH1-OD2 2.61Å; P1090-D1155 HydrophobicContact CG-CB 4.22Å; D1155-E1157 VanDerWaalsContact C-N 3.3Å; D1155-E1157 PolarHBondContact O-N 3.32Å; D1155-E1157 WeakPolarHBondContact OD2-CB 3.43Å; D1155-E1157 PolarHBondContact OD2-N 2.77Å; D1155-T1158 PolarHBondContact O-N 2.98Å; D1155-T1158 WeakPolarHBondContact OD1-CB 3.05Å; D1155-T1158 PolarHBondContact OD1-OG1 3.33Å; D1155-T1158 PolarHBondContact OD2-N 3.03Å; D1155-A1159 WeakPolarHBondContact O-CB 3.34Å; D1155-A1159 PolarHBondContact O-N 2.95Å
1156	Q	91.9	Very high	89.2	Confident	176 Å²	176	56.9 Å²	56.9	82%	0.822	29%	0.291	S	S	*	.	H	α-helix	trans	-60.2	-35.9	-174.3	-173.2	175.3	2.9	0	0	113.6	L1160	Q1156-L1160 WeakPolarHBondContact O-CB 3.5Å; Q1156-L1160 PolarHBondContact O-N 3.01Å
1157	E	92.6	Very high	89.2	Confident	104 Å²	104	57.8 Å²	57.8	49%	0.486	30%	0.296	S	S	.	.	H	α-helix	trans	-79.1	-40.1	-176.3	-69.4	152.1	136.4	0	0	111	I1071 R1081 D1155 A1159 L1160 A1161	I1071-E1157 HydrophobicContact CD1-CB 4.34Å; R1081-E1157 IonicContact CZ-OE2 3.14Å; R1081-E1157 IonicContact NH1-OE2 2.8Å; R1081-E1157 PolarHBondContact NH1-OE2 3.18Å; R1081-E1157 IonicContact NH2-OE1 3.75Å; R1081-E1157 IonicContact NH2-OE2 2.66Å; R1081-E1157 PolarHBondContact NH2-OE2 3.03Å; D1155-E1157 VanDerWaalsContact C-N 3.3Å; D1155-E1157 PolarHBondContact O-N 3.32Å; D1155-E1157 WeakPolarHBondContact OD2-CB 3.43Å; D1155-E1157 PolarHBondContact OD2-N 2.77Å; E1157-A1159 VanDerWaalsContact C-N 3.34Å; E1157-L1160 PolarHBondContact O-N 3.46Å; E1157-A1161 WeakPolarHBondContact O-CB 3.42Å; E1157-A1161 PolarHBondContact O-N 2.89Å
1158	T	94.2	Very high	89.3	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61	-43.3	168.4	-61	0	0	0	0	110.9	S1069 R1081 V1154 D1155 L1160 A1161 A1162	S1069-T1158 PolarHBondContact OG-OG1 3.34Å; R1081-T1158 WeakPolarHBondContact CD-OG1 3.26Å; V1154-T1158 HydrophobicContact CB-CG2 3.93Å; V1154-T1158 HydrophobicContact CG1-CG2 4.08Å; V1154-T1158 HydrophobicContact CG2-CG2 4.25Å; D1155-T1158 PolarHBondContact O-N 2.98Å; D1155-T1158 WeakPolarHBondContact OD1-CB 3.05Å; D1155-T1158 PolarHBondContact OD1-OG1 3.33Å; D1155-T1158 PolarHBondContact OD2-N 3.03Å; T1158-L1160 VanDerWaalsContact C-N 3.33Å; T1158-L1160 PolarHBondContact O-N 2.75Å; T1158-A1161 PolarHBondContact O-N 3.47Å; T1158-A1162 WeakPolarHBondContact O-CB 3.3Å; T1158-A1162 PolarHBondContact O-N 3.47Å
1159	A	93.3	Very high	89.6	Confident	24 Å²	24	53 Å²	53	20%	0.198	28%	0.282	C	S	.	.	H	α-helix	trans	-59.8	-42.7	176.9	0	0	0	0	0	112.1	V1154 D1155 E1157 A1162 A1163	V1154-A1159 HydrophobicContact CG2-CB 3.97Å; D1155-A1159 WeakPolarHBondContact O-CB 3.34Å; D1155-A1159 PolarHBondContact O-N 2.95Å; E1157-A1159 VanDerWaalsContact C-N 3.34Å; A1159-A1162 PolarHBondContact O-N 2.76Å; A1159-A1163 WeakPolarHBondContact O-CB 3.5Å; A1159-A1163 PolarHBondContact O-N 2.92Å
1160	L	93.1	Very high	90.4	Very high	81 Å²	81	46.3 Å²	46.3	42%	0.424	25%	0.247	S	C	.	.	H	α-helix	trans	-64.4	-47	177.9	-174.2	70.4	0	0	0	111.9	P1054 Q1156 E1157 T1158 A1162 A1163 H1164	P1054-L1160 HydrophobicContact CG-CD2 4.19Å; P1054-L1160 HydrophobicContact CG-CG 4.13Å; Q1156-L1160 WeakPolarHBondContact O-CB 3.5Å; Q1156-L1160 PolarHBondContact O-N 3.01Å; E1157-L1160 PolarHBondContact O-N 3.46Å; T1158-L1160 VanDerWaalsContact C-N 3.33Å; T1158-L1160 PolarHBondContact O-N 2.75Å; L1160-A1162 VanDerWaalsContact C-N 3.35Å; L1160-A1163 PolarHBondContact O-N 2.97Å; L1160-H1164 PolarHBondContact O-N 2.86Å; L1160-H1164 PolarHBondContact O-ND1 2.86Å
1161	A	94	Very high	91.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.7	-41	176.6	0	0	0	0	0	111.6	P1054 L1056 I1071 E1157 T1158 A1163 H1164 G1165	P1054-A1161 HydrophobicContact CB-CB 4.29Å; L1056-A1161 HydrophobicContact CB-CB 4.4Å; I1071-A1161 HydrophobicContact CB-CB 3.87Å; I1071-A1161 HydrophobicContact CD1-CB 4.3Å; I1071-A1161 HydrophobicContact CG2-CB 3.67Å; E1157-A1161 WeakPolarHBondContact O-CB 3.42Å; E1157-A1161 PolarHBondContact O-N 2.89Å; T1158-A1161 PolarHBondContact O-N 3.47Å; A1161-A1163 PolarHBondContact O-N 2.88Å; A1161-H1164 PolarHBondContact O-N 2.85Å; A1161-G1165 PolarHBondContact O-N 2.79Å
1162	A	92.2	Very high	92.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.2	-38.2	178.3	0	0	0	0	0	113.3	L1056 M1148 Y1151 T1158 A1159 L1160 G1165	L1056-A1162 HydrophobicContact CD2-CB 3.77Å; M1148-A1162 HydrophobicContact CB-CB 4.04Å; M1148-A1162 HydrophobicContact CE-CB 3.75Å; M1148-A1162 PolarHBondContact N-O 2.86Å; Y1151-A1162 HydrophobicContact CD1-CB 4.06Å; Y1151-A1162 HydrophobicContact CE1-CB 4.09Å; T1158-A1162 WeakPolarHBondContact O-CB 3.3Å; T1158-A1162 PolarHBondContact O-N 3.47Å; A1159-A1162 PolarHBondContact O-N 2.76Å; L1160-A1162 VanDerWaalsContact C-N 3.35Å; A1162-G1165 PolarHBondContact O-N 2.91Å
1163	A	91	Very high	93	Very high	40 Å²	40	31.8 Å²	31.8	33%	0.331	17%	0.172	S	C	.	.	H	α-helix	trans	-67	-37	176.7	0	0	0	0	0	112.6	Y1151 A1159 L1160 A1161	Y1151-A1163 HydrophobicContact CE1-CB 4.27Å; A1159-A1163 WeakPolarHBondContact O-CB 3.5Å; A1159-A1163 PolarHBondContact O-N 2.92Å; L1160-A1163 PolarHBondContact O-N 2.97Å; A1161-A1163 PolarHBondContact O-N 2.88Å
1164	H	91.6	Very high	93.5	Very high	91 Å²	91	30 Å²	30	42%	0.421	16%	0.161	S	C	.	.	H	α-helix	trans	-74.5	-30.6	173.1	-71.1	76.7	0	0	0	112	L1160 A1161	L1160-H1164 PolarHBondContact O-N 2.86Å; L1160-H1164 PolarHBondContact O-ND1 2.86Å; A1161-H1164 PolarHBondContact O-N 2.85Å
1165	G	92.1	Very high	93.6	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.155	C	C	.	.			trans	69.9	-154	-176.5	0	0	0	0	0	112.3	S1055 L1056 A1161 A1162	S1055-G1165 CarbonylContact C-O 3.47Å; S1055-G1165 WeakPolarHBondContact CA-O 3.47Å; S1055-G1165 WeakPolarHBondContact CB-O 3.13Å; S1055-G1165 PolarHBondContact OG-O 3.15Å; L1056-G1165 PolarHBondContact N-O 3.45Å; A1161-G1165 PolarHBondContact O-N 2.79Å; A1162-G1165 PolarHBondContact O-N 2.91Å
1166	F	95.2	Very high	93.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.			trans	-120.1	139.3	174.6	176.5	-107	0	0	0	109.5	F1006 F1048 T1050 L1056 L1057 L1170	F1006-F1166 HydrophobicContact CB-CD1 3.7Å; F1006-F1166 HydrophobicContact CB-CE1 4.14Å; F1006-F1166 HydrophobicContact CD1-CD1 4.41Å; F1006-F1166 HydrophobicContact CD2-CD1 4.18Å; F1006-F1166 HydrophobicContact CD2-CE1 4.24Å; F1006-F1166 AromaticContact CG-CD1 3.86Å; F1006-F1166 HydrophobicContact CG-CD1 3.86Å; F1006-F1166 HydrophobicContact CG-CE1 4.31Å; F1048-F1166 HydrophobicContact CB-CZ 4.4Å; T1050-F1166 HydrophobicContact CG2-CE2 3.97Å; L1056-F1166 WeakPolarHBondContact O-CB 3.42Å; L1057-F1166 HydrophobicContact CD2-CD2 3.53Å; L1057-F1166 HydrophobicContact CD2-CE2 3.43Å; L1057-F1166 VanDerWaalsContact CD2-CE2 3.43Å; L1057-F1166 HydrophobicContact CD2-CG 4.47Å; L1057-F1166 HydrophobicContact CD2-CZ 4.34Å; F1166-L1170 HydrophobicContact CD1-CD1 4.13Å; F1166-L1170 HydrophobicContact CD1-CG 4.06Å; F1166-L1170 HydrophobicContact CE1-CD1 4.16Å; F1166-L1170 HydrophobicContact CE1-CD2 4.2Å; F1166-L1170 HydrophobicContact CE1-CG 3.57Å; F1166-L1170 HydrophobicContact CZ-CD2 4.14Å; F1166-L1170 HydrophobicContact CZ-CG 3.99Å
1167	T	94.7	Very high	93.1	Very high	19 Å²	19	27.6 Å²	27.6	12%	0.117	15%	0.151	C	C	.	.			trans	-132.3	123.6	167.4	-48.3	0	0	0	0	107.6	F1006 T1050 R1052	F1006-T1167 WeakPolarHBondContact O-CA 3.26Å; F1006-T1167 WeakPolarHBondContact O-CG2 3.37Å; T1050-T1167 WeakPolarHBondContact CB-O 3.25Å; T1050-T1167 PolarHBondContact OG1-O 2.84Å; R1052-T1167 VanDerWaalsContact CD-CB 3.5Å; R1052-T1167 PolarHBondContact NH1-OG1 2.96Å
1168	G	94.4	Very high	92.9	Very high	11 Å²	11	23.4 Å²	23.4	11%	0.113	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.3	-160.1	-170.8	0	0	0	0	0	111.4	Y1005 F1006 R1049	Y1005-G1168 WeakPolarHBondContact CA-O 3.25Å; Y1005-G1168 WeakPolarHBondContact CD2-O 3.37Å; F1006-G1168 PolarHBondContact N-O 2.79Å; F1006-G1168 PolarHBondContact O-N 2.79Å; R1049-G1168 CarbonylContact O-C 3.58Å; R1049-G1168 VanDerWaalsContact O-CA 3.25Å; R1049-G1168 WeakPolarHBondContact O-CA 3.44Å
1169	C	95.6	Very high	92.7	Very high	10 Å²	10	24 Å²	24	7%	0.068	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.2	-179.5	-164.5	0	0	0	0	110.7	A1004 F1048 R1049 C1204	A1004-C1169 WeakPolarHBondContact O-CA 3.4Å; F1048-C1169 CarbonylContact C-O 3.57Å; F1048-C1169 VanDerWaalsContact CA-O 3.26Å; F1048-C1169 WeakPolarHBondContact CA-O 3.19Å; R1049-C1169 HydrophobicContact CB-CB 4.44Å; R1049-C1169 PolarHBondContact N-O 2.03Å; R1049-C1169 PolarHBondContact O-N 3.05Å; C1169-C1204 HydrophobicContact CB-CB 3.77Å; C1169-C1204 WeakPolarHBondContact CB-SG 3.26Å; C1169-C1204 WeakPolarHBondContact SG-CA 3.06Å; C1169-C1204 WeakPolarHBondContact SG-CB 3.41Å; C1169-C1204 CovalentContact SG-SG 2.03Å; C1169-C1204 PolarHBondContact SG-SG 2.6Å
1170	L	96.6	Very high	92.6	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	137.6	168.4	-74.5	173	0	0	0	109.1	S1003 A1004 F1006 F1046 S1047 F1048 L1057 L1145 F1166 V1173 L1181	S1003-L1170 CarbonylContact C-O 3.55Å; S1003-L1170 VanDerWaalsContact CA-O 3.27Å; S1003-L1170 WeakPolarHBondContact CA-O 3.35Å; A1004-L1170 PolarHBondContact N-O 2.99Å; A1004-L1170 PolarHBondContact O-N 3.07Å; F1006-L1170 HydrophobicContact CD2-CB 4.44Å; F1006-L1170 HydrophobicContact CD2-CD1 4.23Å; F1006-L1170 HydrophobicContact CD2-CG 4.44Å; F1006-L1170 HydrophobicContact CE2-CB 4.02Å; F1006-L1170 HydrophobicContact CE2-CD1 3.74Å; F1006-L1170 HydrophobicContact CE2-CG 4.2Å; F1006-L1170 HydrophobicContact CZ-CD1 3.9Å; F1046-L1170 HydrophobicContact CD2-CD2 4.01Å; F1046-L1170 HydrophobicContact CE2-CD2 4.41Å; S1047-L1170 WeakPolarHBondContact O-CA 3.3Å; F1048-L1170 HydrophobicContact CB-CD2 3.61Å; L1057-L1170 HydrophobicContact CD2-CD2 4.32Å; L1145-L1170 HydrophobicContact CB-CD1 4.07Å; L1145-L1170 HydrophobicContact CD1-CD1 4.26Å; L1145-L1170 HydrophobicContact CD2-CD1 4.43Å; L1145-L1170 HydrophobicContact CG-CD1 4.49Å; F1166-L1170 HydrophobicContact CD1-CD1 4.13Å; F1166-L1170 HydrophobicContact CD1-CG 4.06Å; F1166-L1170 HydrophobicContact CE1-CD1 4.16Å; F1166-L1170 HydrophobicContact CE1-CD2 4.2Å; F1166-L1170 HydrophobicContact CE1-CG 3.57Å; F1166-L1170 HydrophobicContact CZ-CD2 4.14Å; F1166-L1170 HydrophobicContact CZ-CG 3.99Å; L1170-V1173 HydrophobicContact CB-CG2 3.91Å; L1170-L1181 HydrophobicContact CB-CD2 4.33Å; L1170-L1181 WeakPolarHBondContact O-CD2 3.28Å
1171	S	94.8	Very high	92.6	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	148.7	179.3	-160.2	0	0	0	0	111.3	E1001 I1002 S1003 F1046 S1047 V1173	E1001-S1171 WeakPolarHBondContact CB-OG 3.43Å; E1001-S1171 PolarHBondContact OE2-OG 3.06Å; I1002-S1171 CarbonylContact O-C 3.57Å; I1002-S1171 WeakPolarHBondContact O-CA 3.33Å; S1003-S1171 PolarHBondContact OG-OG 3.45Å; F1046-S1171 WeakPolarHBondContact CA-O 3.34Å; S1047-S1171 PolarHBondContact N-O 3.13Å; S1047-S1171 PolarHBondContact O-N 3.05Å; S1171-V1173 PolarHBondContact O-N 3.28Å
1172	A	93.5	Very high	92.4	Very high	3 Å²	3	20 Å²	20	3%	0.025	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	50.3	37.7	170.6	0	0	0	0	0	114.3	A992 Y993 E1001 I1002 K1045 Q1174	A992-A1172 HydrophobicContact CB-CB 4.42Å; Y993-A1172 HydrophobicContact CE1-CB 4.42Å; Y993-A1172 HydrophobicContact CE2-CB 4.25Å; E1001-A1172 HydrophobicContact CB-CB 4.44Å; E1001-A1172 HydrophobicContact CG-CB 4.18Å; I1002-A1172 PolarHBondContact O-N 2.92Å; K1045-A1172 VanDerWaalsContact O-O 3.07Å; A1172-Q1174 PolarHBondContact O-N 2.75Å; A1172-Q1174 VanDerWaalsContact O-N 3.13Å
1173	V	95.2	Very high	92.1	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.012	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	109.4	-176.6	-172.1	0	0	0	0	110.7	A992 F1046 L1145 L1170 S1171 A1179 P1180 L1181	A992-V1173 WeakPolarHBondContact CB-O 2.93Å; F1046-V1173 HydrophobicContact CB-CB 4.21Å; F1046-V1173 HydrophobicContact CB-CG1 4.3Å; F1046-V1173 HydrophobicContact CB-CG2 3.9Å; L1145-V1173 HydrophobicContact CD1-CB 4.47Å; L1145-V1173 HydrophobicContact CD1-CG1 4.01Å; L1145-V1173 HydrophobicContact CD1-CG2 4.37Å; L1145-V1173 HydrophobicContact CD2-CG1 4.06Å; L1170-V1173 HydrophobicContact CB-CG2 3.91Å; S1171-V1173 PolarHBondContact O-N 3.28Å; V1173-A1179 WeakPolarHBondContact O-CA 3.45Å; V1173-P1180 WeakPolarHBondContact O-CD 3.47Å; V1173-L1181 HydrophobicContact CB-CB 4.25Å; V1173-L1181 HydrophobicContact CG2-CB 4.37Å; V1173-L1181 HydrophobicContact CG2-CD2 4.12Å
1174	Q	94.3	Very high	92	Very high	21 Å²	21	20.9 Å²	20.9	10%	0.098	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	128.9	-178.9	-173.5	154	2.9	0	0	111.3	S990 A992 I1044 K1045 A1172 S1176 I1178	S990-Q1174 PolarHBondContact O-NE2 3.28Å; A992-Q1174 HydrophobicContact CB-CB 3.93Å; I1044-Q1174 WeakPolarHBondContact CA-O 2.94Å; K1045-Q1174 PolarHBondContact N-O 3.47Å; K1045-Q1174 PolarHBondContact O-N 3.28Å; A1172-Q1174 PolarHBondContact O-N 2.75Å; A1172-Q1174 VanDerWaalsContact O-N 3.13Å; Q1174-S1176 WeakPolarHBondContact CG-O 3.41Å; Q1174-S1176 PolarHBondContact NE2-O 2.72Å; Q1174-I1178 WeakPolarHBondContact CA-O 3.36Å
1175	F	93	Very high	91.8	Very high	5 Å²	5	18.7 Å²	18.7	2%	0.022	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	101.5	169.4	-178.7	-97.9	0	0	0	108.9	F1016 L1039 E1042 I1044 M1060 L1143 H1177 I1178	F1016-F1175 HydrophobicContact CE1-CD1 4.23Å; F1016-F1175 HydrophobicContact CE1-CE1 4.27Å; F1016-F1175 HydrophobicContact CZ-CD1 4.04Å; F1016-F1175 HydrophobicContact CZ-CE1 4.13Å; L1039-F1175 HydrophobicContact CD1-CE1 3.98Å; L1039-F1175 HydrophobicContact CD1-CZ 3.71Å; E1042-F1175 HydrophobicContact CB-CE2 3.75Å; E1042-F1175 HydrophobicContact CB-CZ 3.72Å; E1042-F1175 HydrophobicContact CG-CE2 3.78Å; E1042-F1175 HydrophobicContact CG-CZ 4.13Å; I1044-F1175 HydrophobicContact CD1-CD2 3.98Å; I1044-F1175 HydrophobicContact CD1-CE2 3.97Å; I1044-F1175 HydrophobicContact CG1-CD2 3.77Å; I1044-F1175 HydrophobicContact CG1-CE2 3.95Å; M1060-F1175 HydrophobicContact CE-CD2 3.82Å; M1060-F1175 HydrophobicContact CE-CE1 4.4Å; M1060-F1175 HydrophobicContact CE-CE2 3.06Å; M1060-F1175 HydrophobicContact CE-CZ 3.41Å; M1060-F1175 VanDerWaalsContact CE-CZ 3.41Å; M1060-F1175 HydrophobicContact SD-CD1 4.27Å; M1060-F1175 HydrophobicContact SD-CD2 3.8Å; M1060-F1175 HydrophobicContact SD-CE1 3.92Å; M1060-F1175 HydrophobicContact SD-CE2 3.45Å; M1060-F1175 WeakPolarHBondContact SD-CE2 3.17Å; M1060-F1175 HydrophobicContact SD-CG 4.21Å; M1060-F1175 HydrophobicContact SD-CZ 3.51Å; M1060-F1175 VanDerWaalsContact SD-CZ 3.51Å; L1143-F1175 HydrophobicContact CD1-CB 3.87Å; L1143-F1175 HydrophobicContact CD1-CG 4.12Å; F1175-H1177 PolarHBondContact O-N 3.09Å; F1175-I1178 HydrophobicContact CD1-CD1 4.49Å; F1175-I1178 PolarHBondContact N-O 2.83Å; F1175-I1178 WeakPolarHBondContact O-CB 3.43Å; F1175-I1178 PolarHBondContact O-N 2.96Å
1176	S	89.4	Confident	91	Very high	33 Å²	33	23.7 Å²	23.7	23%	0.231	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	-102	-173.3	-56.2	0	0	0	0	111.6	M1043 Q1174	M1043-S1176 PolarHBondContact N-OG 3.23Å; M1043-S1176 PolarHBondContact O-N 3.1Å; Q1174-S1176 WeakPolarHBondContact CG-O 3.41Å; Q1174-S1176 PolarHBondContact NE2-O 2.72Å
1177	H	84.1	Confident	89.4	Confident	134 Å²	134	30.3 Å²	30.3	62%	0.62	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.2	3	178.8	56.5	-83	0	0	0	113.6	F1175	F1175-H1177 PolarHBondContact O-N 3.09Å
1178	I	88.5	Confident	87.7	Confident	17 Å²	17	32.1 Å²	32.1	9%	0.087	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-104.5	137.3	-176.1	-62.5	162.7	0	0	0	109.4	Y1014 F1016 Q1174 F1175 P1180	Y1014-I1178 HydrophobicContact CD1-CG2 4.18Å; Y1014-I1178 HydrophobicContact CD2-CG2 4.02Å; Y1014-I1178 HydrophobicContact CE1-CD1 4.15Å; Y1014-I1178 HydrophobicContact CE1-CG2 3.84Å; Y1014-I1178 HydrophobicContact CE2-CG2 3.66Å; Y1014-I1178 HydrophobicContact CG-CG2 4.29Å; F1016-I1178 HydrophobicContact CD1-CD1 3.78Å; F1016-I1178 HydrophobicContact CE1-CD1 3.25Å; F1016-I1178 HydrophobicContact CZ-CD1 4.21Å; Q1174-I1178 WeakPolarHBondContact CA-O 3.36Å; F1175-I1178 HydrophobicContact CD1-CD1 4.49Å; F1175-I1178 PolarHBondContact N-O 2.83Å; F1175-I1178 WeakPolarHBondContact O-CB 3.43Å; F1175-I1178 PolarHBondContact O-N 2.96Å; I1178-P1180 HydrophobicContact CG2-CG 4.08Å
1179	A	91	Very high	85.9	Confident	11 Å²	11	37.1 Å²	37.1	9%	0.091	23%	0.229	C	C	.	.			trans	-120.8	84.4	174.8	0	0	0	0	0	109.9	A992 V1173 L1181 K1182 A1183	A992-A1179 HydrophobicContact CB-CB 4.05Å; V1173-A1179 WeakPolarHBondContact O-CA 3.45Å; A1179-L1181 VanDerWaalsContact C-N 3.27Å; A1179-L1181 PolarHBondContact O-N 2.83Å; A1179-K1182 HydrophobicContact CB-CB 3.82Å; A1179-K1182 HydrophobicContact CB-CD 4.48Å; A1179-K1182 WeakPolarHBondContact O-CB 3.19Å; A1179-K1182 PolarHBondContact O-N 3.35Å; A1179-K1182 VanDerWaalsContact O-N 3.11Å; A1179-A1183 PolarHBondContact O-N 2.86Å; A1179-A1183 VanDerWaalsContact O-N 3.16Å
1180	P	91.1	Very high	84.2	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-58	-38.7	-172.1	-25.1	34.5	0	0	0	113.3	Y1014 L1143 L1145 V1173 I1178 K1182 A1183 A1184	Y1014-P1180 HydrophobicContact CD2-CB 4.33Å; Y1014-P1180 HydrophobicContact CG-CB 4.5Å; L1143-P1180 HydrophobicContact CD1-CG 3.99Å; L1143-P1180 HydrophobicContact CD2-CB 4.06Å; L1143-P1180 HydrophobicContact CD2-CG 3.75Å; L1143-P1180 HydrophobicContact CG-CG 4.49Å; L1145-P1180 HydrophobicContact CD1-CB 4.3Å; V1173-P1180 WeakPolarHBondContact O-CD 3.47Å; I1178-P1180 HydrophobicContact CG2-CG 4.08Å; P1180-K1182 VanDerWaalsContact C-N 3.34Å; P1180-K1182 PolarHBondContact O-N 3.16Å; P1180-A1183 PolarHBondContact O-N 2.93Å; P1180-A1184 PolarHBondContact O-N 2.88Å
1181	L	91.4	Very high	82.8	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-68.1	-35.7	-179.2	-162.7	61.5	0	0	0	112.3	I1002 A1004 F1006 L1170 V1173 A1179 A1184 L1185	I1002-L1181 HydrophobicContact CG2-CG 4.44Å; A1004-L1181 HydrophobicContact CB-CD1 3.63Å; A1004-L1181 HydrophobicContact CB-CD2 3.97Å; A1004-L1181 HydrophobicContact CB-CG 4.06Å; F1006-L1181 HydrophobicContact CE2-CD1 3.82Å; F1006-L1181 HydrophobicContact CZ-CD1 3.88Å; L1170-L1181 HydrophobicContact CB-CD2 4.33Å; L1170-L1181 WeakPolarHBondContact O-CD2 3.28Å; V1173-L1181 HydrophobicContact CB-CB 4.25Å; V1173-L1181 HydrophobicContact CG2-CB 4.37Å; V1173-L1181 HydrophobicContact CG2-CD2 4.12Å; A1179-L1181 VanDerWaalsContact C-N 3.27Å; A1179-L1181 PolarHBondContact O-N 2.83Å; L1181-A1184 PolarHBondContact O-N 3.24Å; L1181-L1185 HydrophobicContact CG-CD1 4.27Å; L1181-L1185 WeakPolarHBondContact O-CG 3.45Å; L1181-L1185 PolarHBondContact O-N 3.03Å; L1181-L1185 VanDerWaalsContact O-N 3.11Å
1182	K	89.6	Confident	82.3	Confident	21 Å²	21	46.7 Å²	46.7	9%	0.091	29%	0.294	C	S	.	.	H	α-helix	trans	-64.1	-46.5	174.2	-177.6	169.4	-163.8	164.7	0	111.2	C988 S991 Y993 I1002 A1179 P1180 A1184 L1185 Q1186	C988-K1182 PolarHBondContact O-NZ 3.36Å; S991-K1182 WeakPolarHBondContact O-CD 3.48Å; Y993-K1182 PolarHBondContact O-NZ 3.06Å; I1002-K1182 HydrophobicContact CD1-CB 3.58Å; I1002-K1182 HydrophobicContact CD1-CD 3.41Å; I1002-K1182 VanDerWaalsContact CD1-CD 3.41Å; I1002-K1182 HydrophobicContact CD1-CG 3.38Å; A1179-K1182 HydrophobicContact CB-CB 3.82Å; A1179-K1182 HydrophobicContact CB-CD 4.48Å; A1179-K1182 WeakPolarHBondContact O-CB 3.19Å; A1179-K1182 PolarHBondContact O-N 3.35Å; A1179-K1182 VanDerWaalsContact O-N 3.11Å; P1180-K1182 VanDerWaalsContact C-N 3.34Å; P1180-K1182 PolarHBondContact O-N 3.16Å; K1182-A1184 PolarHBondContact O-N 3.18Å; K1182-L1185 PolarHBondContact O-N 2.84Å; K1182-Q1186 HydrophobicContact CG-CG 4.28Å; K1182-Q1186 WeakPolarHBondContact O-CB 3.09Å; K1182-Q1186 PolarHBondContact O-N 2.85Å
1183	A	86.8	Confident	82	Confident	33 Å²	33	47.8 Å²	47.8	27%	0.273	30%	0.301	S	S	.	.	H	α-helix	trans	-65.1	-25	177.4	0	0	0	0	0	113.1	Y1014 A1179 P1180 A1191 V1193	Y1014-A1183 HydrophobicContact CD2-CB 4.45Å; Y1014-A1183 HydrophobicContact CE2-CB 4.31Å; A1179-A1183 PolarHBondContact O-N 2.86Å; A1179-A1183 VanDerWaalsContact O-N 3.16Å; P1180-A1183 PolarHBondContact O-N 2.93Å; A1183-A1191 HydrophobicContact CB-CB 4.19Å; A1183-V1193 HydrophobicContact CB-CG2 3.61Å
1184	A	88.9	Confident	81.7	Confident	24 Å²	24	51 Å²	51	20%	0.198	32%	0.32	C	S	.	.	H	α-helix	trans	-78.7	-35.9	174.7	0	0	0	0	0	113.8	V1012 P1180 L1181 K1182 V1193 V1195	V1012-A1184 HydrophobicContact CG1-CB 3.69Å; V1012-A1184 HydrophobicContact CG2-CB 4.08Å; P1180-A1184 PolarHBondContact O-N 2.88Å; L1181-A1184 PolarHBondContact O-N 3.24Å; K1182-A1184 PolarHBondContact O-N 3.18Å; A1184-V1193 HydrophobicContact CB-CG1 3.84Å; A1184-V1195 HydrophobicContact CB-CG2 3.85Å
1185	L	86.6	Confident	81.5	Confident	45 Å²	45	53.1 Å²	53.1	24%	0.236	34%	0.335	C	S	.	.	H	α-helix	trans	-94.6	-31.2	-172.4	-69.2	178.2	0	0	0	114.2	I1002 A1004 L1181 K1182 V1199 E1201	I1002-L1185 HydrophobicContact CG2-CD1 3.81Å; A1004-L1185 HydrophobicContact CB-CD1 3.92Å; A1004-L1185 HydrophobicContact CB-CD2 4.32Å; A1004-L1185 HydrophobicContact CB-CG 4.48Å; L1181-L1185 HydrophobicContact CG-CD1 4.27Å; L1181-L1185 WeakPolarHBondContact O-CG 3.45Å; L1181-L1185 PolarHBondContact O-N 3.03Å; L1181-L1185 VanDerWaalsContact O-N 3.11Å; K1182-L1185 PolarHBondContact O-N 2.84Å; L1185-V1199 HydrophobicContact CD2-CG1 4.48Å; L1185-E1201 HydrophobicContact CD1-CB 4.17Å; L1185-E1201 HydrophobicContact CD1-CG 4.31Å; L1185-E1201 HydrophobicContact CD2-CB 4.45Å
1186	Q	75.6	Confident	81.4	Confident	106 Å²	106	55.7 Å²	55.7	50%	0.495	35%	0.351	S	S	.	.	S	Bend	trans	-85.9	135.7	-175.3	-70.7	-164.3	-44.2	0	0	112.4	K1182 G1188	K1182-Q1186 HydrophobicContact CG-CG 4.28Å; K1182-Q1186 WeakPolarHBondContact O-CB 3.09Å; K1182-Q1186 PolarHBondContact O-N 2.85Å; Q1186-G1188 PolarHBondContact O-N 2.94Å
1187	P	61.5	Low	81.4	Confident	139 Å²	139	57.2 Å²	57.2	90%	0.903	37%	0.372	S	S	*	.			trans	-70.5	109.6	170.5	27	-29.9	0	0	0	109.3
1188	G	59.3	Low	81.7	Confident	57 Å²	57	56.1 Å²	56.1	59%	0.588	37%	0.367	S	S	*	.			trans	-143.3	-179.7	179.3	0	0	0	0	0	111.9	Q1186	Q1186-G1188 PolarHBondContact O-N 2.94Å
1189	P	58	Low	81.9	Confident	116 Å²	116	56.3 Å²	56.3	75%	0.753	37%	0.368	S	S	*	.	S	Bend	trans	-51.4	155.2	167.9	22.6	-31.6	0	0	0	110.1	A1191	P1189-A1191 PolarHBondContact O-N 2.82Å
1190	P	60.1	Low	81.8	Confident	130 Å²	130	58.5 Å²	58.5	84%	0.844	38%	0.381	S	S	*	.			trans	-51.1	99.9	-171.5	19.3	-31.6	0	0	0	110.8
1191	A	66.8	Low	81.7	Confident	42 Å²	42	64.2 Å²	64.2	35%	0.347	41%	0.408	S	S	.	.			trans	-72.2	147.9	175.4	0	0	0	0	0	107.4	A1183 P1189 V1193	A1183-A1191 HydrophobicContact CB-CB 4.19Å; P1189-A1191 PolarHBondContact O-N 2.82Å; A1191-V1193 HydrophobicContact CB-CB 4.33Å; A1191-V1193 HydrophobicContact CB-CG2 4.16Å; A1191-V1193 PolarHBondContact O-N 2.87Å
1192	P	83.1	Confident	81.4	Confident	39 Å²	39	66.6 Å²	66.6	25%	0.253	42%	0.424	S	S	.	.	S	Bend	trans	-74.9	44.7	176.3	34.7	-37.7	0	0	0	110.8	Y1014 N1015	Y1014-P1192 HydrophobicContact CE1-CG 4.26Å; Y1014-P1192 HydrophobicContact CE2-CG 4.03Å; N1015-P1192 HydrophobicContact CB-CB 4.38Å; N1015-P1192 PolarHBondContact N-O 2.8Å; N1015-P1192 VanDerWaalsContact O-CB 3.3Å; N1015-P1192 WeakPolarHBondContact O-CB 3.4Å; N1015-P1192 WeakPolarHBondContact O-CG 3.2Å
1193	V	88.2	Confident	81.1	Confident	27 Å²	27	69.7 Å²	69.7	16%	0.164	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	131.3	-174.1	179.8	0	0	0	0	110.1	V1012 I1013 Y1014 A1183 A1184 A1191 V1195	V1012-V1193 HydrophobicContact CG1-CG1 3.78Å; I1013-V1193 CarbonylContact O-C 3.58Å; I1013-V1193 WeakPolarHBondContact O-CA 3.05Å; Y1014-V1193 HydrophobicContact CD2-CG2 3.48Å; Y1014-V1193 VanDerWaalsContact CD2-CG2 3.48Å; Y1014-V1193 HydrophobicContact CE2-CG2 4.12Å; Y1014-V1193 HydrophobicContact CG-CG2 4.29Å; A1183-V1193 HydrophobicContact CB-CG2 3.61Å; A1184-V1193 HydrophobicContact CB-CG1 3.84Å; A1191-V1193 HydrophobicContact CB-CB 4.33Å; A1191-V1193 HydrophobicContact CB-CG2 4.16Å; A1191-V1193 PolarHBondContact O-N 2.87Å; V1193-V1195 HydrophobicContact CG1-CG2 4.1Å
1194	T	89	Confident	80.9	Confident	69 Å²	69	68.3 Å²	68.3	42%	0.423	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	124.2	170.6	-50.8	0	0	0	0	108.8	I1013 T1196	I1013-T1194 PolarHBondContact N-O 3.24Å; I1013-T1194 PolarHBondContact O-N 3.18Å; T1194-T1196 HydrophobicContact CG2-CG2 4.37Å
1195	V	90.3	Very high	80.1	Confident	66 Å²	66	71.7 Å²	71.7	40%	0.4	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	128.3	176.2	-175	0	0	0	0	108.3	S1011 V1012 A1184 V1193 V1199	S1011-V1195 WeakPolarHBondContact O-CA 3.29Å; V1012-V1195 HydrophobicContact CG2-CG1 4.44Å; V1012-V1195 HydrophobicContact CG2-CG2 4.38Å; A1184-V1195 HydrophobicContact CB-CG2 3.85Å; V1193-V1195 HydrophobicContact CG1-CG2 4.1Å; V1195-V1199 HydrophobicContact CG1-CB 3.88Å; V1195-V1199 HydrophobicContact CG1-CG2 3.82Å
1196	T	90.2	Very high	78.3	Confident	58 Å²	58	71.8 Å²	71.8	36%	0.356	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	144.6	172.9	71	0	0	0	0	110.3	S1010 S1011 T1194	S1010-T1196 CarbonylContact C-O 3.55Å; S1010-T1196 WeakPolarHBondContact CA-O 3.5Å; S1010-T1196 WeakPolarHBondContact CB-O 3.41Å; S1011-T1196 PolarHBondContact N-O 2.89Å; S1011-T1196 PolarHBondContact O-N 2.66Å; S1011-T1196 PolarHBondContact OG-OG1 2.83Å; T1194-T1196 HydrophobicContact CG2-CG2 4.37Å
1197	G	90.4	Very high	76.6	Confident	65 Å²	65	72.6 Å²	72.6	67%	0.67	48%	0.477	S	S	*	.	S	Bend	trans	76.6	-156.6	-176.3	0	0	0	0	0	113.8
1198	H	90.1	Very high	75.1	Confident	111 Å²	111	70.1 Å²	70.1	51%	0.514	46%	0.462	S	S	.	.			trans	-101.5	93.8	-172.7	-174.5	-85.9	0	0	0	110.9	G1007 S1010	G1007-H1198 PolarHBondContact N-O 3.3Å; S1010-H1198 PolarHBondContact OG-N 3.46Å; S1010-H1198 PolarHBondContact OG-O 3.36Å
1199	V	91.3	Very high	73.7	Confident	21 Å²	21	70 Å²	70	13%	0.127	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	118.7	174.1	-176	0	0	0	0	108.7	A1004 Y1005 F1006 V1012 L1185 V1195	A1004-V1199 HydrophobicContact CB-CG1 3.93Å; Y1005-V1199 WeakPolarHBondContact O-CA 3.34Å; F1006-V1199 HydrophobicContact CD1-CG2 4.06Å; F1006-V1199 HydrophobicContact CE1-CG2 4.11Å; F1006-V1199 HydrophobicContact CE2-CG1 4.2Å; F1006-V1199 HydrophobicContact CG-CG2 4.49Å; F1006-V1199 HydrophobicContact CZ-CG1 4.21Å; V1012-V1199 HydrophobicContact CG2-CG1 4.16Å; V1012-V1199 HydrophobicContact CG2-CG2 4.13Å; L1185-V1199 HydrophobicContact CD2-CG1 4.48Å; V1195-V1199 HydrophobicContact CG1-CB 3.88Å; V1195-V1199 HydrophobicContact CG1-CG2 3.82Å
1200	T	89.6	Confident	72.2	Confident	58 Å²	58	71.1 Å²	71.1	36%	0.356	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	143.9	-177.3	55.7	0	0	0	0	111.2	A1004 Y1005 S1202	A1004-T1200 CarbonylContact C-O 3.51Å; A1004-T1200 VanDerWaalsContact CA-O 3.26Å; A1004-T1200 WeakPolarHBondContact CA-O 3.48Å; Y1005-T1200 PolarHBondContact N-O 3.3Å; Y1005-T1200 PolarHBondContact O-N 3Å; Y1005-T1200 VanDerWaalsContact O-N 3.14Å; T1200-S1202 PolarHBondContact O-N 2.79Å
1201	E	88.4	Confident	70.6	Confident	120 Å²	120	70.5 Å²	70.5	56%	0.561	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.6	132.4	174.6	-169.6	178.9	172.4	0	0	109.9	K1000 S1003 L1185	K1000-E1201 IonicContact NZ-OE1 3.59Å; K1000-E1201 PolarHBondContact NZ-OE1 3.43Å; S1003-E1201 WeakPolarHBondContact O-CA 3.41Å; L1185-E1201 HydrophobicContact CD1-CB 4.17Å; L1185-E1201 HydrophobicContact CD1-CG 4.31Å; L1185-E1201 HydrophobicContact CD2-CB 4.45Å
1202	S	86	Confident	68.6	Low	51 Å²	51	73 Å²	73	36%	0.357	48%	0.476	S	S	.	.			trans	-160.2	142.3	-175.8	-170.3	0	0	0	0	111	S1003 T1200	S1003-S1202 CarbonylContact C-O 3.43Å; S1003-S1202 WeakPolarHBondContact CB-O 3.41Å; S1003-S1202 PolarHBondContact O-N 2.95Å; T1200-S1202 PolarHBondContact O-N 2.79Å
1203	S	82.8	Confident	66	Low	86 Å²	86	75.7 Å²	75.7	60%	0.601	49%	0.493	S	S	*	.			trans	-76.1	124.1	174	-178.6	0	0	0	0	110.7	V1205	S1203-V1205 VanDerWaalsContact C-N 3.27Å; S1203-V1205 PolarHBondContact O-N 2.9Å
1204	C	83.6	Confident	63.1	Low	5 Å²	5	79.4 Å²	79.4	3%	0.034	52%	0.52	C	S	.	.	S	Bend	trans	-75.1	-17.4	178.5	-59.3	0	0	0	0	113.5	L1105 C1169 A1206	L1105-C1204 HydrophobicContact CD1-CB 3.81Å; C1169-C1204 HydrophobicContact CB-CB 3.77Å; C1169-C1204 WeakPolarHBondContact CB-SG 3.26Å; C1169-C1204 WeakPolarHBondContact SG-CA 3.06Å; C1169-C1204 WeakPolarHBondContact SG-CB 3.41Å; C1169-C1204 CovalentContact SG-SG 2.03Å; C1169-C1204 PolarHBondContact SG-SG 2.6Å; C1204-A1206 PolarHBondContact O-N 2.67Å
1205	V	70.7	Confident	60	Low	95 Å²	95	87.2 Å²	87.2	58%	0.576	54%	0.541	S	S	*	.	S	Bend	trans	-70.4	127.5	172.3	-172.9	0	0	0	0	107.7	S1203	S1203-V1205 VanDerWaalsContact C-N 3.27Å; S1203-V1205 PolarHBondContact O-N 2.9Å
1206	A	48.8	Very low	56.9	Low	47 Å²	47	90.2 Å²	90.2	39%	0.388	55%	0.551	S	S	.	*			trans	-54	140.8	174	0	0	0	0	0	109.1	C1204 S1208	C1204-A1206 PolarHBondContact O-N 2.67Å; A1206-S1208 PolarHBondContact O-N 2.89Å
1207	P	39.7	Very low	53.8	Low	123 Å²	123	98.2 Å²	98.2	80%	0.799	58%	0.575	S	S	*	*			trans	-60.9	101.3	159	26.2	-28.1	0	0	0	105	G1209	P1207-G1209 VanDerWaalsContact C-N 3.32Å; P1207-G1209 PolarHBondContact O-N 2.77Å
1208	S	31.1	Very low	50.7	Low	86 Å²	86	98 Å²	98	60%	0.601	56%	0.561	S	S	*	*			trans	-50	112.4	156.9	37.3	0	0	0	0	104.3	A1206 T1210	A1206-S1208 PolarHBondContact O-N 2.89Å; S1208-T1210 PolarHBondContact O-N 3.14Å; S1208-T1210 VanDerWaalsContact O-N 3.09Å
1209	G	29.9	Very low	47.7	Very low	56 Å²	56	101.2 Å²	101.2	58%	0.577	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.8	123.2	-168.4	0	0	0	0	0	108.7	P1207 D1211	P1207-G1209 VanDerWaalsContact C-N 3.32Å; P1207-G1209 PolarHBondContact O-N 2.77Å; G1209-D1211 PolarHBondContact O-N 2.87Å
1210	T	27	Very low	44.4	Very low	138 Å²	138	105.1 Å²	105.1	85%	0.847	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	47	42.5	157.1	-5.4	0	0	0	0	114.4	S1208 A1212	S1208-T1210 PolarHBondContact O-N 3.14Å; S1208-T1210 VanDerWaalsContact O-N 3.09Å; T1210-A1212 PolarHBondContact O-N 3.29Å
1211	D	24.7	Very low	41.4	Very low	118 Å²	118	110.8 Å²	110.8	63%	0.631	62%	0.624	S	S	*	*			trans	-74.4	84.3	155.5	-83.1	-16	0	0	0	105.6	G1209 T1213	G1209-D1211 PolarHBondContact O-N 2.87Å; D1211-T1213 PolarHBondContact O-N 3.35Å
1212	A	26.8	Very low	38.4	Very low	93 Å²	93	108.1 Å²	108.1	77%	0.769	62%	0.622	S	S	*	*			trans	-58.8	25.9	162	0	0	0	0	0	112.6	T1210	T1210-A1212 PolarHBondContact O-N 3.29Å
1213	T	26.5	Very low	35.5	Very low	97 Å²	97	113 Å²	113	60%	0.595	64%	0.644	S	S	*	*			trans	-137.3	73.4	170.5	61.2	0	0	0	0	105.6	D1211 R1215	D1211-T1213 PolarHBondContact O-N 3.35Å; T1213-R1215 VanDerWaalsContact C-N 3.31Å; T1213-R1215 PolarHBondContact O-N 3.28Å
1214	S	28	Very low	32.9	Very low	105 Å²	105	114.9 Å²	114.9	73%	0.734	64%	0.643	S	S	*	*			trans	-38	113.6	139.8	45.6	0	0	0	0	104.9	E1216	S1214-E1216 PolarHBondContact O-N 3.5Å
1215	R	24.8	Very low	30	Very low	232 Å²	232	120.4 Å²	120.4	88%	0.875	68%	0.682	S	S	*	*			trans	-46.6	90	-174.1	-80.1	176	169.5	172.9	-4.6	108.5	T1213 R1217	T1213-R1215 VanDerWaalsContact C-N 3.31Å; T1213-R1215 PolarHBondContact O-N 3.28Å; R1215-R1217 PolarHBondContact O-N 2.84Å
1216	E	25.6	Very low	27.8	Very low	130 Å²	130	119 Å²	119	61%	0.607	69%	0.687	S	S	*	*			trans	-63.6	95.9	166.2	-138	-177.4	-125.1	0	0	98.8	S1214 T1218	S1214-E1216 PolarHBondContact O-N 3.5Å; E1216-T1218 WeakPolarHBondContact CB-OG1 3.23Å; E1216-T1218 HydrophobicContact CG-CG2 3.94Å; E1216-T1218 VanDerWaalsContact CG-OG1 3.3Å; E1216-T1218 WeakPolarHBondContact CG-OG1 3.42Å; E1216-T1218 PolarHBondContact O-N 3.38Å; E1216-T1218 PolarHBondContact O-OG1 2.91Å; E1216-T1218 PolarHBondContact OE2-OG1 2.73Å
1217	R	25.2	Very low	26.5	Very low	226 Å²	226	123.2 Å²	123.2	85%	0.853	71%	0.708	S	S	*	*			trans	-71.1	56.2	156.3	-70.6	-169.3	-174.3	-166.9	3.4	105.7	R1215 H1219	R1215-R1217 PolarHBondContact O-N 2.84Å; R1217-H1219 PolarHBondContact O-N 2.81Å; R1217-H1219 VanDerWaalsContact O-N 3.16Å
1218	T	24.2	Very low	25.8	Very low	60 Å²	60	125 Å²	125	37%	0.368	71%	0.707	S	S	.	*			trans	-66.6	105.2	158.9	8.8	0	0	0	0	103.2	E1216 S1220 F1221	E1216-T1218 WeakPolarHBondContact CB-OG1 3.23Å; E1216-T1218 HydrophobicContact CG-CG2 3.94Å; E1216-T1218 VanDerWaalsContact CG-OG1 3.3Å; E1216-T1218 WeakPolarHBondContact CG-OG1 3.42Å; E1216-T1218 PolarHBondContact O-N 3.38Å; E1216-T1218 PolarHBondContact O-OG1 2.91Å; E1216-T1218 PolarHBondContact OE2-OG1 2.73Å; T1218-S1220 PolarHBondContact O-N 2.76Å; T1218-S1220 VanDerWaalsContact O-N 3.12Å; T1218-F1221 HydrophobicContact CG2-CD2 3.56Å; T1218-F1221 HydrophobicContact CG2-CE2 3.52Å
1219	H	26.4	Very low	25.5	Very low	179 Å²	179	126.4 Å²	126.4	83%	0.829	71%	0.708	S	S	*	*			trans	-45.8	121.8	142.3	-79.9	-88.7	0	0	0	106.1	R1217 F1221	R1217-H1219 PolarHBondContact O-N 2.81Å; R1217-H1219 VanDerWaalsContact O-N 3.16Å; H1219-F1221 PolarHBondContact O-N 2.76Å
1220	S	23.1	Very low	25.3	Very low	103 Å²	103	129.9 Å²	129.9	72%	0.72	71%	0.714	S	S	*	*			trans	-27	119.3	-169.9	52	0	0	0	0	113.7	T1218 A1222	T1218-S1220 PolarHBondContact O-N 2.76Å; T1218-S1220 VanDerWaalsContact O-N 3.12Å; S1220-A1222 VanDerWaalsContact C-N 3.28Å; S1220-A1222 PolarHBondContact O-N 2.89Å
1221	F	26.6	Very low	25.1	Very low	177 Å²	177	132.5 Å²	132.5	78%	0.776	71%	0.708	S	S	*	*			trans	-53.8	94.5	157	-94.2	-85.1	0	0	0	108.2	T1218 H1219	T1218-F1221 HydrophobicContact CG2-CD2 3.56Å; T1218-F1221 HydrophobicContact CG2-CE2 3.52Å; H1219-F1221 PolarHBondContact O-N 2.76Å
1222	A	25.7	Very low	25	Very low	64 Å²	64	135.2 Å²	135.2	53%	0.529	72%	0.717	S	S	.	*			trans	-111.6	122.7	161.4	0	0	0	0	0	106.4	S1220 H1224	S1220-A1222 VanDerWaalsContact C-N 3.28Å; S1220-A1222 PolarHBondContact O-N 2.89Å; A1222-H1224 PolarHBondContact O-N 2.86Å
1223	D	23.9	Very low	25	Very low	154 Å²	154	134.8 Å²	134.8	82%	0.824	71%	0.706	S	S	*	*			trans	-33.1	99	179.9	-72.2	-45	0	0	0	115.1
1224	H	29.2	Very low	24.9	Very low	125 Å²	125	137.9 Å²	137.9	58%	0.579	72%	0.719	S	S	*	*			trans	-128.2	62.9	162.8	-65.4	-39.3	0	0	0	110.2	N579 A1222 G1226	N579-H1224 PolarHBondContact ND2-CE1 2.84Å; N579-H1224 PolarHBondContact ND2-NE2 2.73Å; N579-H1224 VanDerWaalsContact ND2-NE2 3.19Å; N579-H1224 PolarHBondContact OD1-NE2 3.3Å; A1222-H1224 PolarHBondContact O-N 2.86Å; H1224-G1226 PolarHBondContact O-N 2.72Å; H1224-G1226 VanDerWaalsContact O-N 3.13Å
1225	S	23.2	Very low	24.6	Very low	121 Å²	121	138.7 Å²	138.7	85%	0.846	72%	0.719	S	S	*	*			trans	-80.2	63.8	156.7	48.2	0	0	0	0	108.7
1226	G	22.7	Very low	24.7	Very low	66 Å²	66	134.8 Å²	134.8	68%	0.68	71%	0.711	S	S	*	*			trans	-76.8	126.6	168.9	0	0	0	0	0	109.1	H1224 M1228	H1224-G1226 PolarHBondContact O-N 2.72Å; H1224-G1226 VanDerWaalsContact O-N 3.13Å; G1226-M1228 PolarHBondContact O-N 2.8Å
1227	T	23.1	Very low	24.6	Very low	135 Å²	135	133.3 Å²	133.3	83%	0.828	72%	0.72	S	S	*	*			trans	-49.6	132.7	177.1	46.6	0	0	0	0	112	D1229	T1227-D1229 PolarHBondContact O-N 2.66Å
1228	M	23.8	Very low	24.8	Very low	159 Å²	159	129.1 Å²	129.1	78%	0.783	71%	0.713	S	S	*	*			trans	-46.2	106.7	168	-69.1	170.9	57	0	0	109.9	G1226	G1226-M1228 PolarHBondContact O-N 2.8Å
1229	D	26.3	Very low	25	Very low	117 Å²	117	134.8 Å²	134.8	63%	0.626	73%	0.733	S	S	*	*			trans	-98.1	94.9	162.6	-159.8	20.6	0	0	0	104.9	T1227 R1231	T1227-D1229 PolarHBondContact O-N 2.66Å; D1229-R1231 PolarHBondContact O-N 3.45Å; D1229-R1231 IonicContact OD2-CZ 3.65Å; D1229-R1231 IonicContact OD2-NE 3.91Å; D1229-R1231 IonicContact OD2-NH1 2.8Å
1230	D	24.1	Very low	25.3	Very low	129 Å²	129	131.5 Å²	131.5	69%	0.69	73%	0.73	S	S	*	*			trans	-63.8	78	177.7	-73.6	-34.3	0	0	0	109.3
1231	R	23	Very low	26.1	Very low	192 Å²	192	131.6 Å²	131.6	73%	0.725	72%	0.723	S	S	*	*			trans	-114.6	91.3	170.7	-80.1	179.9	167	161.8	-1.9	108	D1229 P1233	D1229-R1231 PolarHBondContact O-N 3.45Å; D1229-R1231 IonicContact OD2-CZ 3.65Å; D1229-R1231 IonicContact OD2-NE 3.91Å; D1229-R1231 IonicContact OD2-NH1 2.8Å; R1231-P1233 WeakPolarHBondContact O-CD 3.42Å
1232	E	23.2	Very low	26.9	Very low	176 Å²	176	127.2 Å²	127.2	82%	0.822	71%	0.714	S	S	*	*			trans	-56.5	126	170.1	-76.9	-180	159.5	0	0	110.4
1233	P	27	Very low	28.1	Very low	84 Å²	84	128.2 Å²	128.2	55%	0.545	72%	0.722	S	S	.	*			trans	-81.8	128.7	179.5	29.9	-31.1	0	0	0	112.2	R1231 T1235	R1231-P1233 WeakPolarHBondContact O-CD 3.42Å; P1233-T1235 PolarHBondContact O-N 3.04Å; P1233-T1235 VanDerWaalsContact O-N 3.14Å
1234	L	24.4	Very low	29.5	Very low	162 Å²	162	125.2 Å²	125.2	85%	0.848	71%	0.709	S	S	*	*			trans	28.6	72.7	143	-73.2	151.6	0	0	0	116.9	H1236	L1234-H1236 PolarHBondContact O-N 2.8Å
1235	T	21.6	Very low	30.7	Very low	122 Å²	122	124.1 Å²	124.1	75%	0.748	71%	0.706	S	S	*	*			trans	-71.3	90.1	161.7	54.2	0	0	0	0	110.4	P1233	P1233-T1235 PolarHBondContact O-N 3.04Å; P1233-T1235 VanDerWaalsContact O-N 3.14Å
1236	H	25.4	Very low	32.3	Very low	150 Å²	150	119.9 Å²	119.9	69%	0.694	68%	0.682	S	S	*	*			trans	-144.4	48.8	159.5	-91	-66.8	0	0	0	111.7	L1234 I1238	L1234-H1236 PolarHBondContact O-N 2.8Å; H1236-I1238 PolarHBondContact O-N 2.86Å; H1236-I1238 VanDerWaalsContact O-N 3.08Å
1237	A	24.4	Very low	34.6	Very low	98 Å²	98	118.3 Å²	118.3	81%	0.81	67%	0.666	S	S	*	*			trans	-73.5	89.6	145.9	0	0	0	0	0	106.5	K1239	A1237-K1239 VanDerWaalsContact C-N 3.27Å; A1237-K1239 PolarHBondContact O-N 2.79Å
1238	I	29.3	Very low	36.7	Very low	138 Å²	138	117.2 Å²	117.2	71%	0.708	65%	0.654	S	S	*	*			trans	-56.5	104.4	162.7	-67.4	174.9	0	0	0	104.9	H1236 S1240	H1236-I1238 PolarHBondContact O-N 2.86Å; H1236-I1238 VanDerWaalsContact O-N 3.08Å; I1238-S1240 PolarHBondContact O-N 2.6Å
1239	K	28.2	Very low	39.2	Very low	179 Å²	179	114 Å²	114	78%	0.778	64%	0.64	S	S	*	*			trans	-44.5	127.5	171	-82.1	-179.8	174.2	179	0	108.1	A1237 D1241	A1237-K1239 VanDerWaalsContact C-N 3.27Å; A1237-K1239 PolarHBondContact O-N 2.79Å; K1239-D1241 VanDerWaalsContact C-N 3.26Å; K1239-D1241 PolarHBondContact O-N 2.62Å
1240	S	32.7	Very low	41.5	Very low	110 Å²	110	111 Å²	111	77%	0.769	63%	0.631	S	S	*	*	S	Bend	trans	-41.3	87	159.2	51.1	0	0	0	0	111.6	I1238	I1238-S1240 PolarHBondContact O-N 2.6Å
1241	D	40.3	Very low	44.3	Very low	106 Å²	106	108.9 Å²	108.9	57%	0.567	62%	0.622	S	S	*	*			trans	-144.4	0.3	155.4	-96.6	-30	0	0	0	112.1	K1239 A1243 V1244 I1245	K1239-D1241 VanDerWaalsContact C-N 3.26Å; K1239-D1241 PolarHBondContact O-N 2.62Å; D1241-A1243 PolarHBondContact O-N 2.98Å; D1241-V1244 PolarHBondContact O-N 2.76Å; D1241-I1245 WeakPolarHBondContact O-CG1 3.46Å; D1241-I1245 PolarHBondContact O-N 3.27Å
1242	S	43.8	Very low	47.3	Very low	85 Å²	85	103.6 Å²	103.6	59%	0.594	61%	0.611	S	S	*	*	H	α-helix	trans	-69.7	-20.4	170.6	-173.8	0	0	0	0	112.5	G1246	S1242-G1246 VanDerWaalsContact O-CA 3.31Å; S1242-G1246 WeakPolarHBondContact O-CA 3.48Å; S1242-G1246 PolarHBondContact O-N 3.06Å
1243	A	50.1	Low	50.4	Low	85 Å²	85	99.5 Å²	99.5	70%	0.702	59%	0.594	S	S	*	*	H	α-helix	trans	-71.9	-33.5	174.9	0	0	0	0	0	112.5	D1241 G1247	D1241-A1243 PolarHBondContact O-N 2.98Å; A1243-G1247 WeakPolarHBondContact O-CA 3.34Å; A1243-G1247 PolarHBondContact O-N 2.69Å
1244	V	53.1	Low	53.3	Low	91 Å²	91	101.9 Å²	101.9	55%	0.552	60%	0.596	S	S	*	*	H	α-helix	trans	-73.6	-42.7	174.6	-176.6	0	0	0	0	109.8	D1241 G1247 L1248	D1241-V1244 PolarHBondContact O-N 2.76Å; V1244-G1247 PolarHBondContact O-N 2.83Å; V1244-L1248 HydrophobicContact CG1-CD1 4.23Å; V1244-L1248 WeakPolarHBondContact O-CB 3.39Å; V1244-L1248 WeakPolarHBondContact O-CG 3.36Å; V1244-L1248 PolarHBondContact O-N 3.06Å
1245	I	54.8	Low	56.3	Low	101 Å²	101	98.7 Å²	98.7	52%	0.518	58%	0.579	S	S	.	*	H	α-helix	trans	-69.1	-44.5	178.6	-62.5	170.1	0	0	0	111.2	D1241 L1248 I1249	D1241-I1245 WeakPolarHBondContact O-CG1 3.46Å; D1241-I1245 PolarHBondContact O-N 3.27Å; I1245-L1248 PolarHBondContact O-N 2.8Å; I1245-I1249 HydrophobicContact CG2-CD1 3.85Å; I1245-I1249 WeakPolarHBondContact O-CB 3.2Å; I1245-I1249 VanDerWaalsContact O-CG1 3.24Å; I1245-I1249 WeakPolarHBondContact O-CG1 3.45Å; I1245-I1249 PolarHBondContact O-N 2.95Å
1246	G	57.1	Low	59.7	Low	32 Å²	32	98.2 Å²	98.2	33%	0.33	57%	0.571	S	S	.	*	H	α-helix	trans	-67.1	-35.6	175.3	0	0	0	0	0	112.3	S1242 I1249 A1250	S1242-G1246 VanDerWaalsContact O-CA 3.31Å; S1242-G1246 WeakPolarHBondContact O-CA 3.48Å; S1242-G1246 PolarHBondContact O-N 3.06Å; G1246-I1249 PolarHBondContact O-N 2.56Å; G1246-A1250 WeakPolarHBondContact O-CB 3.08Å; G1246-A1250 PolarHBondContact O-N 2.93Å
1247	G	70.2	Confident	62.7	Low	34 Å²	34	96 Å²	96	35%	0.351	56%	0.564	S	S	.	*	H	α-helix	trans	-62.7	-45.5	169.9	0	0	0	0	0	112	A1243 V1244 A1250 V1251	A1243-G1247 WeakPolarHBondContact O-CA 3.34Å; A1243-G1247 PolarHBondContact O-N 2.69Å; V1244-G1247 PolarHBondContact O-N 2.83Å; G1247-A1250 PolarHBondContact O-N 3.42Å; G1247-V1251 WeakPolarHBondContact O-CB 3.31Å; G1247-V1251 WeakPolarHBondContact O-CG2 3.05Å; G1247-V1251 PolarHBondContact O-N 3.27Å
1248	L	68.7	Low	65.9	Low	111 Å²	111	93.6 Å²	93.6	58%	0.581	54%	0.541	S	S	*	.	H	α-helix	trans	-62.8	-41.8	175.1	-80.2	162.7	0	0	0	112	V1244 I1245 V1251 V1252	V1244-L1248 HydrophobicContact CG1-CD1 4.23Å; V1244-L1248 WeakPolarHBondContact O-CB 3.39Å; V1244-L1248 WeakPolarHBondContact O-CG 3.36Å; V1244-L1248 PolarHBondContact O-N 3.06Å; I1245-L1248 PolarHBondContact O-N 2.8Å; L1248-V1251 PolarHBondContact O-N 2.73Å; L1248-V1252 VanDerWaalsContact O-CG2 3.25Å; L1248-V1252 WeakPolarHBondContact O-CG2 3.2Å; L1248-V1252 PolarHBondContact O-N 2.76Å
1249	I	75.3	Confident	68.7	Low	92 Å²	92	91.3 Å²	91.3	47%	0.472	53%	0.533	S	S	.	.	H	α-helix	trans	-68.8	-40.7	177.2	-67.3	166.8	0	0	0	111	I1245 G1246 V1252 I1253	I1245-I1249 HydrophobicContact CG2-CD1 3.85Å; I1245-I1249 WeakPolarHBondContact O-CB 3.2Å; I1245-I1249 VanDerWaalsContact O-CG1 3.24Å; I1245-I1249 WeakPolarHBondContact O-CG1 3.45Å; I1245-I1249 PolarHBondContact O-N 2.95Å; G1246-I1249 PolarHBondContact O-N 2.56Å; I1249-V1252 PolarHBondContact O-N 3.43Å; I1249-I1253 HydrophobicContact CG2-CD1 3.77Å; I1249-I1253 HydrophobicContact CG2-CG1 4.35Å; I1249-I1253 WeakPolarHBondContact O-CB 3.29Å; I1249-I1253 VanDerWaalsContact O-CG1 3.27Å; I1249-I1253 WeakPolarHBondContact O-CG1 3.49Å; I1249-I1253 PolarHBondContact O-N 2.87Å
1250	A	73.8	Confident	71.5	Confident	54 Å²	54	85.5 Å²	85.5	45%	0.446	52%	0.515	S	S	.	.	H	α-helix	trans	-65.2	-39	176	0	0	0	0	0	111.9	G1246 G1247 I1253 F1254	G1246-A1250 WeakPolarHBondContact O-CB 3.08Å; G1246-A1250 PolarHBondContact O-N 2.93Å; G1247-A1250 PolarHBondContact O-N 3.42Å; A1250-I1253 PolarHBondContact O-N 2.82Å; A1250-F1254 WeakPolarHBondContact O-CB 3.44Å; A1250-F1254 PolarHBondContact O-N 2.93Å
1251	V	83.3	Confident	73.9	Confident	84 Å²	84	83 Å²	83	51%	0.509	50%	0.501	S	S	.	.	H	α-helix	trans	-64	-42.1	173.6	170.2	0	0	0	0	110.6	G1247 L1248 F1254 I1255	G1247-V1251 WeakPolarHBondContact O-CB 3.31Å; G1247-V1251 WeakPolarHBondContact O-CG2 3.05Å; G1247-V1251 PolarHBondContact O-N 3.27Å; L1248-V1251 PolarHBondContact O-N 2.73Å; V1251-F1254 PolarHBondContact O-N 2.98Å; V1251-I1255 HydrophobicContact CG1-CD1 3.75Å; V1251-I1255 HydrophobicContact CG1-CG1 4.44Å; V1251-I1255 WeakPolarHBondContact O-CB 3.23Å; V1251-I1255 WeakPolarHBondContact O-CG1 3.3Å; V1251-I1255 PolarHBondContact O-N 3.35Å
1252	V	86.9	Confident	76.2	Confident	81 Å²	81	83 Å²	83	49%	0.491	50%	0.5	S	S	.	.	H	α-helix	trans	-63.2	-46.4	175	169.5	0	0	0	0	111.6	L1248 I1249 F1254 I1255 L1256	L1248-V1252 VanDerWaalsContact O-CG2 3.25Å; L1248-V1252 WeakPolarHBondContact O-CG2 3.2Å; L1248-V1252 PolarHBondContact O-N 2.76Å; I1249-V1252 PolarHBondContact O-N 3.43Å; V1252-F1254 VanDerWaalsContact C-N 3.32Å; V1252-F1254 PolarHBondContact O-N 2.75Å; V1252-I1255 PolarHBondContact O-N 2.72Å; V1252-L1256 HydrophobicContact CG1-CD1 3.95Å; V1252-L1256 WeakPolarHBondContact O-CB 3.47Å; V1252-L1256 VanDerWaalsContact O-CG 3.32Å; V1252-L1256 WeakPolarHBondContact O-CG 3.37Å; V1252-L1256 PolarHBondContact O-N 3.32Å
1253	I	87.3	Confident	78.2	Confident	90 Å²	90	81.5 Å²	81.5	46%	0.462	49%	0.493	S	S	.	.	H	α-helix	trans	-61.4	-42.5	176.3	-69.9	168.7	0	0	0	110.4	I1249 A1250 L1256 L1257	I1249-I1253 HydrophobicContact CG2-CD1 3.77Å; I1249-I1253 HydrophobicContact CG2-CG1 4.35Å; I1249-I1253 WeakPolarHBondContact O-CB 3.29Å; I1249-I1253 VanDerWaalsContact O-CG1 3.27Å; I1249-I1253 WeakPolarHBondContact O-CG1 3.49Å; I1249-I1253 PolarHBondContact O-N 2.87Å; A1250-I1253 PolarHBondContact O-N 2.82Å; I1253-L1256 PolarHBondContact O-N 3.39Å; I1253-L1257 HydrophobicContact CG2-CD1 3.94Å; I1253-L1257 HydrophobicContact CG2-CG 4.35Å; I1253-L1257 WeakPolarHBondContact O-CB 3.47Å; I1253-L1257 WeakPolarHBondContact O-CG 3.45Å; I1253-L1257 PolarHBondContact O-N 2.8Å
1254	F	88.1	Confident	79.9	Confident	135 Å²	135	81.1 Å²	81.1	59%	0.592	48%	0.482	S	S	*	.	H	α-helix	trans	-64.8	-44	179	-173.3	-96.8	0	0	0	111.8	A1250 V1251 V1252 L1256 L1257 C1258	A1250-F1254 WeakPolarHBondContact O-CB 3.44Å; A1250-F1254 PolarHBondContact O-N 2.93Å; V1251-F1254 PolarHBondContact O-N 2.98Å; V1252-F1254 VanDerWaalsContact C-N 3.32Å; V1252-F1254 PolarHBondContact O-N 2.75Å; F1254-L1256 VanDerWaalsContact C-N 3.32Å; F1254-L1256 PolarHBondContact O-N 2.77Å; F1254-L1257 PolarHBondContact O-N 2.78Å; F1254-C1258 VanDerWaalsContact CE1-SG 3.56Å; F1254-C1258 WeakPolarHBondContact O-CB 3.03Å; F1254-C1258 PolarHBondContact O-N 3.45Å; F1254-C1258 PolarHBondContact O-SG 2.85Å
1255	I	87.8	Confident	81.2	Confident	95 Å²	95	85.6 Å²	85.6	49%	0.487	49%	0.489	S	S	.	.	H	α-helix	trans	-62.7	-41.3	176.5	-68.9	166.8	0	0	0	110.5	V1251 V1252 C1258 V1259	V1251-I1255 HydrophobicContact CG1-CD1 3.75Å; V1251-I1255 HydrophobicContact CG1-CG1 4.44Å; V1251-I1255 WeakPolarHBondContact O-CB 3.23Å; V1251-I1255 WeakPolarHBondContact O-CG1 3.3Å; V1251-I1255 PolarHBondContact O-N 3.35Å; V1252-I1255 PolarHBondContact O-N 2.72Å; I1255-C1258 PolarHBondContact O-N 3.19Å; I1255-V1259 WeakPolarHBondContact O-CG2 3.34Å; I1255-V1259 PolarHBondContact O-N 3Å
1256	L	92.4	Very high	82.6	Confident	111 Å²	111	85.1 Å²	85.1	58%	0.581	49%	0.486	S	S	*	.	H	α-helix	trans	-66.9	-39.4	176	-72.2	168.9	0	0	0	112.3	V1252 I1253 F1254 V1259 S1260	V1252-L1256 HydrophobicContact CG1-CD1 3.95Å; V1252-L1256 WeakPolarHBondContact O-CB 3.47Å; V1252-L1256 VanDerWaalsContact O-CG 3.32Å; V1252-L1256 WeakPolarHBondContact O-CG 3.37Å; V1252-L1256 PolarHBondContact O-N 3.32Å; I1253-L1256 PolarHBondContact O-N 3.39Å; F1254-L1256 VanDerWaalsContact C-N 3.32Å; F1254-L1256 PolarHBondContact O-N 2.77Å; L1256-V1259 PolarHBondContact O-N 3.33Å; L1256-S1260 WeakPolarHBondContact O-CB 3.22Å; L1256-S1260 PolarHBondContact O-N 3.09Å; L1256-S1260 PolarHBondContact O-OG 3.37Å
1257	L	89.6	Confident	83.7	Confident	104 Å²	104	91.2 Å²	91.2	55%	0.545	50%	0.5	S	S	.	.	H	α-helix	trans	-64.4	-40.7	173.1	-76.1	173.2	0	0	0	111.3	I1253 F1254 S1260 A1261	I1253-L1257 HydrophobicContact CG2-CD1 3.94Å; I1253-L1257 HydrophobicContact CG2-CG 4.35Å; I1253-L1257 WeakPolarHBondContact O-CB 3.47Å; I1253-L1257 WeakPolarHBondContact O-CG 3.45Å; I1253-L1257 PolarHBondContact O-N 2.8Å; F1254-L1257 PolarHBondContact O-N 2.78Å; L1257-S1260 WeakPolarHBondContact CA-OG 3.21Å; L1257-S1260 PolarHBondContact O-N 2.98Å; L1257-S1260 PolarHBondContact O-OG 3.39Å; L1257-A1261 VanDerWaalsContact O-CB 3.3Å; L1257-A1261 WeakPolarHBondContact O-CB 3.49Å; L1257-A1261 PolarHBondContact O-N 2.81Å
1258	C	90.4	Very high	84	Confident	48 Å²	48	94.9 Å²	94.9	32%	0.324	51%	0.508	S	S	.	.	H	α-helix	trans	-61	-44.9	172.9	-71.9	0	0	0	0	111.8	F1254 I1255 S1260 A1261 I1262	F1254-C1258 VanDerWaalsContact CE1-SG 3.56Å; F1254-C1258 WeakPolarHBondContact O-CB 3.03Å; F1254-C1258 PolarHBondContact O-N 3.45Å; F1254-C1258 PolarHBondContact O-SG 2.85Å; I1255-C1258 PolarHBondContact O-N 3.19Å; C1258-S1260 VanDerWaalsContact C-N 3.34Å; C1258-S1260 PolarHBondContact O-N 3.36Å; C1258-A1261 PolarHBondContact O-N 2.93Å; C1258-I1262 WeakPolarHBondContact O-CB 3.14Å; C1258-I1262 WeakPolarHBondContact O-CD1 3.12Å; C1258-I1262 WeakPolarHBondContact O-CG1 3.16Å; C1258-I1262 PolarHBondContact O-N 2.81Å
1259	V	89.4	Confident	84.2	Confident	90 Å²	90	96 Å²	96	55%	0.545	51%	0.511	S	S	.	.	H	α-helix	trans	-60.6	-44	175.4	170.8	0	0	0	0	110.9	I1255 L1256 A1263	I1255-V1259 WeakPolarHBondContact O-CG2 3.34Å; I1255-V1259 PolarHBondContact O-N 3Å; L1256-V1259 PolarHBondContact O-N 3.33Å; V1259-A1263 WeakPolarHBondContact O-CB 3.28Å; V1259-A1263 PolarHBondContact O-N 2.92Å
1260	S	86	Confident	83.9	Confident	56 Å²	56	98.9 Å²	98.9	39%	0.392	52%	0.52	S	S	.	.	H	α-helix	trans	-67.4	-40.6	178.1	74.4	0	0	0	0	112.6	L1256 L1257 C1258 A1263 V1264	L1256-S1260 WeakPolarHBondContact O-CB 3.22Å; L1256-S1260 PolarHBondContact O-N 3.09Å; L1256-S1260 PolarHBondContact O-OG 3.37Å; L1257-S1260 WeakPolarHBondContact CA-OG 3.21Å; L1257-S1260 PolarHBondContact O-N 2.98Å; L1257-S1260 PolarHBondContact O-OG 3.39Å; C1258-S1260 VanDerWaalsContact C-N 3.34Å; C1258-S1260 PolarHBondContact O-N 3.36Å; S1260-A1263 PolarHBondContact O-N 3.07Å; S1260-V1264 WeakPolarHBondContact O-CB 3.12Å; S1260-V1264 VanDerWaalsContact O-CG2 3.29Å; S1260-V1264 WeakPolarHBondContact O-CG2 3.28Å; S1260-V1264 PolarHBondContact O-N 3.26Å
1261	A	84.1	Confident	83.3	Confident	58 Å²	58	104.7 Å²	104.7	48%	0.479	53%	0.53	S	S	.	.	H	α-helix	trans	-66.2	-41	176.8	0	0	0	0	0	111.8	L1257 C1258 V1264 R1265	L1257-A1261 VanDerWaalsContact O-CB 3.3Å; L1257-A1261 WeakPolarHBondContact O-CB 3.49Å; L1257-A1261 PolarHBondContact O-N 2.81Å; C1258-A1261 PolarHBondContact O-N 2.93Å; A1261-V1264 PolarHBondContact O-N 3.3Å; A1261-R1265 WeakPolarHBondContact O-CB 3.38Å; A1261-R1265 PolarHBondContact O-N 3.4Å
1262	I	86.9	Confident	82.4	Confident	105 Å²	105	105.6 Å²	105.6	54%	0.538	53%	0.532	S	S	.	.	H	α-helix	trans	-63.7	-43.2	174.3	-67.7	164.6	0	0	0	110	C1258 R1265 I1266	C1258-I1262 WeakPolarHBondContact O-CB 3.14Å; C1258-I1262 WeakPolarHBondContact O-CD1 3.12Å; C1258-I1262 WeakPolarHBondContact O-CG1 3.16Å; C1258-I1262 PolarHBondContact O-N 2.81Å; I1262-R1265 PolarHBondContact O-N 3.29Å; I1262-I1266 HydrophobicContact CG2-CD1 3.77Å; I1262-I1266 HydrophobicContact CG2-CG1 4.44Å; I1262-I1266 VanDerWaalsContact O-CG1 3.26Å; I1262-I1266 WeakPolarHBondContact O-CG1 3.19Å; I1262-I1266 PolarHBondContact O-N 2.88Å
1263	A	85.9	Confident	81	Confident	55 Å²	55	110.4 Å²	110.4	46%	0.455	54%	0.542	S	S	.	.	H	α-helix	trans	-62.4	-43.9	175.9	0	0	0	0	0	112.5	V1259 S1260 R1265 I1266 Y1267	V1259-A1263 WeakPolarHBondContact O-CB 3.28Å; V1259-A1263 PolarHBondContact O-N 2.92Å; S1260-A1263 PolarHBondContact O-N 3.07Å; A1263-R1265 VanDerWaalsContact C-N 3.34Å; A1263-R1265 PolarHBondContact O-N 2.94Å; A1263-I1266 PolarHBondContact O-N 2.56Å; A1263-Y1267 VanDerWaalsContact O-CB 3.31Å; A1263-Y1267 WeakPolarHBondContact O-CB 3.46Å; A1263-Y1267 PolarHBondContact O-N 2.78Å
1264	V	85.5	Confident	79.6	Confident	77 Å²	77	113.8 Å²	113.8	47%	0.467	55%	0.554	S	S	.	*	H	α-helix	trans	-62.6	-41.4	174.6	170.1	0	0	0	0	110.7	S1260 A1261 Y1267 Q1268	S1260-V1264 WeakPolarHBondContact O-CB 3.12Å; S1260-V1264 VanDerWaalsContact O-CG2 3.29Å; S1260-V1264 WeakPolarHBondContact O-CG2 3.28Å; S1260-V1264 PolarHBondContact O-N 3.26Å; A1261-V1264 PolarHBondContact O-N 3.3Å; V1264-Y1267 PolarHBondContact O-N 3.32Å; V1264-Q1268 HydrophobicContact CG1-CG 4.24Å; V1264-Q1268 WeakPolarHBondContact O-CB 3.37Å; V1264-Q1268 VanDerWaalsContact O-CG 3.3Å; V1264-Q1268 WeakPolarHBondContact O-CG 3.18Å; V1264-Q1268 PolarHBondContact O-N 2.96Å
1265	R	82.1	Confident	77.8	Confident	185 Å²	185	115.7 Å²	115.7	70%	0.698	56%	0.557	S	S	*	*	H	α-helix	trans	-66.9	-40.5	179.2	-154	177	-168.2	176.8	3.1	112	A1261 I1262 A1263 Q1268 Q1269	A1261-R1265 WeakPolarHBondContact O-CB 3.38Å; A1261-R1265 PolarHBondContact O-N 3.4Å; I1262-R1265 PolarHBondContact O-N 3.29Å; A1263-R1265 VanDerWaalsContact C-N 3.34Å; A1263-R1265 PolarHBondContact O-N 2.94Å; R1265-Q1268 PolarHBondContact O-N 2.97Å; R1265-Q1269 WeakPolarHBondContact O-CB 3.21Å; R1265-Q1269 PolarHBondContact O-N 3.1Å
1266	I	82.8	Confident	76.1	Confident	91 Å²	91	116.1 Å²	116.1	47%	0.467	56%	0.56	S	S	.	*	H	α-helix	trans	-65.4	-40.7	173.6	-67.7	167	0	0	0	110.5	I1262 A1263 Q1269 K1270	I1262-I1266 HydrophobicContact CG2-CD1 3.77Å; I1262-I1266 HydrophobicContact CG2-CG1 4.44Å; I1262-I1266 VanDerWaalsContact O-CG1 3.26Å; I1262-I1266 WeakPolarHBondContact O-CG1 3.19Å; I1262-I1266 PolarHBondContact O-N 2.88Å; A1263-I1266 PolarHBondContact O-N 2.56Å; I1266-Q1269 PolarHBondContact O-N 3.1Å; I1266-K1270 PolarHBondContact O-N 3.13Å
1267	Y	80.8	Confident	74.1	Confident	159 Å²	159	117.1 Å²	117.1	62%	0.624	56%	0.562	S	S	*	*	H	α-helix	trans	-66.4	-42.4	176.3	-173.3	-94.3	0	0	0	111.9	A1263 V1264 K1270 R1271	A1263-Y1267 VanDerWaalsContact O-CB 3.31Å; A1263-Y1267 WeakPolarHBondContact O-CB 3.46Å; A1263-Y1267 PolarHBondContact O-N 2.78Å; V1264-Y1267 PolarHBondContact O-N 3.32Å; Y1267-K1270 PolarHBondContact O-N 3.01Å; Y1267-R1271 WeakPolarHBondContact O-CB 3.44Å; Y1267-R1271 PolarHBondContact O-N 2.93Å
1268	Q	76.4	Confident	72.1	Confident	112 Å²	112	114.8 Å²	114.8	52%	0.523	56%	0.557	S	S	.	*	H	α-helix	trans	-64.6	-41.2	174.8	-76.3	-177.6	-0.3	0	0	111.6	V1264 R1265 R1271 L1272	V1264-Q1268 HydrophobicContact CG1-CG 4.24Å; V1264-Q1268 WeakPolarHBondContact O-CB 3.37Å; V1264-Q1268 VanDerWaalsContact O-CG 3.3Å; V1264-Q1268 WeakPolarHBondContact O-CG 3.18Å; V1264-Q1268 PolarHBondContact O-N 2.96Å; R1265-Q1268 PolarHBondContact O-N 2.97Å; Q1268-R1271 PolarHBondContact O-N 2.75Å; Q1268-L1272 WeakPolarHBondContact O-CB 3.19Å; Q1268-L1272 PolarHBondContact O-N 3.49Å
1269	Q	73.5	Confident	69.9	Low	135 Å²	135	119 Å²	119	63%	0.631	57%	0.57	S	S	*	*	H	α-helix	trans	-60.7	-45.1	172.5	-88.8	-175.6	-23.4	0	0	111.6	R1265 I1266 R1271 L1272 Y1273	R1265-Q1269 WeakPolarHBondContact O-CB 3.21Å; R1265-Q1269 PolarHBondContact O-N 3.1Å; I1266-Q1269 PolarHBondContact O-N 3.1Å; Q1269-R1271 VanDerWaalsContact C-N 3.32Å; Q1269-R1271 PolarHBondContact O-N 2.97Å; Q1269-L1272 PolarHBondContact O-N 3.2Å; Q1269-Y1273 WeakPolarHBondContact O-CB 3.33Å; Q1269-Y1273 PolarHBondContact O-N 3.27Å
1270	K	68.8	Low	67.6	Low	151 Å²	151	124.5 Å²	124.5	66%	0.657	58%	0.581	S	S	*	*	H	α-helix	trans	-61.4	-38.6	173.8	-94	-175.1	173.7	177.6	0	112.7	I1266 Y1267 Y1273 K1274	I1266-K1270 PolarHBondContact O-N 3.13Å; Y1267-K1270 PolarHBondContact O-N 3.01Å; K1270-Y1273 PolarHBondContact O-N 2.94Å; K1270-K1274 PolarHBondContact O-N 2.95Å
1271	R	61.6	Low	65.4	Low	177 Å²	177	125.8 Å²	125.8	67%	0.668	59%	0.59	S	S	*	*	H	α-helix	trans	-70.2	-38.8	178.4	-162	178.1	-177	-171.5	1.9	111.8	Y1267 Q1268 Q1269 R1275	Y1267-R1271 WeakPolarHBondContact O-CB 3.44Å; Y1267-R1271 PolarHBondContact O-N 2.93Å; Q1268-R1271 PolarHBondContact O-N 2.75Å; Q1269-R1271 VanDerWaalsContact C-N 3.32Å; Q1269-R1271 PolarHBondContact O-N 2.97Å; R1271-R1275 VanDerWaalsContact O-CB 3.3Å; R1271-R1275 WeakPolarHBondContact O-CB 3.07Å; R1271-R1275 PolarHBondContact O-N 2.7Å
1272	L	63.7	Low	63.2	Low	103 Å²	103	130.3 Å²	130.3	54%	0.539	60%	0.601	S	S	.	*	H	α-helix	trans	-65.7	-40.4	172.9	-102.3	144.6	0	0	0	111.6	Q1268 Q1269 R1275 N1276	Q1268-L1272 WeakPolarHBondContact O-CB 3.19Å; Q1268-L1272 PolarHBondContact O-N 3.49Å; Q1269-L1272 PolarHBondContact O-N 3.2Å; L1272-R1275 PolarHBondContact O-N 3.09Å; L1272-N1276 WeakPolarHBondContact O-CB 3.44Å; L1272-N1276 PolarHBondContact O-N 2.95Å
1273	Y	58.9	Low	61	Low	181 Å²	181	131.4 Å²	131.4	71%	0.71	61%	0.608	S	S	*	*	H	α-helix	trans	-63.5	-48.3	175.8	-134.1	-90	0	0	0	111.4	Q1269 K1270 R1275 N1276 E1277	Q1269-Y1273 WeakPolarHBondContact O-CB 3.33Å; Q1269-Y1273 PolarHBondContact O-N 3.27Å; K1270-Y1273 PolarHBondContact O-N 2.94Å; Y1273-R1275 VanDerWaalsContact C-N 3.32Å; Y1273-R1275 PolarHBondContact O-N 2.98Å; Y1273-N1276 PolarHBondContact O-N 3.32Å; Y1273-E1277 PolarHBondContact O-N 3.37Å
1274	K	57.2	Low	58.9	Low	162 Å²	162	133.6 Å²	133.6	70%	0.704	62%	0.615	S	S	*	*	H	α-helix	trans	-62.1	-35.5	174.6	-84.9	-170.3	172.3	-172.1	0	113.2	K1270 E1277 A1278	K1270-K1274 PolarHBondContact O-N 2.95Å; K1274-E1277 PolarHBondContact O-N 2.76Å; K1274-A1278 WeakPolarHBondContact O-CB 3.23Å; K1274-A1278 PolarHBondContact O-N 3.32Å
1275	R	50.9	Low	56.7	Low	175 Å²	175	136.6 Å²	136.6	66%	0.66	63%	0.629	S	S	*	*	H	α-helix	trans	-72.6	-32.8	178.6	-161.2	174.1	-169.3	174.8	2	112.3	R1271 L1272 Y1273 K1279	R1271-R1275 VanDerWaalsContact O-CB 3.3Å; R1271-R1275 WeakPolarHBondContact O-CB 3.07Å; R1271-R1275 PolarHBondContact O-N 2.7Å; L1272-R1275 PolarHBondContact O-N 3.09Å; Y1273-R1275 VanDerWaalsContact C-N 3.32Å; Y1273-R1275 PolarHBondContact O-N 2.98Å; R1275-K1279 WeakPolarHBondContact O-CB 3.4Å; R1275-K1279 PolarHBondContact O-N 2.94Å; R1275-K1279 VanDerWaalsContact O-N 3.14Å
1276	N	52	Low	54.8	Low	103 Å²	103	131.6 Å²	131.6	55%	0.551	62%	0.622	S	S	*	*	H	α-helix	trans	-75.5	-30.9	174.5	-75.2	-9.4	0	0	0	112.2	L1272 Y1273 R1280	L1272-N1276 WeakPolarHBondContact O-CB 3.44Å; L1272-N1276 PolarHBondContact O-N 2.95Å; Y1273-N1276 PolarHBondContact O-N 3.32Å; N1276-R1280 PolarHBondContact O-N 3.13Å
1277	E	48.6	Very low	52.8	Low	133 Å²	133	130.7 Å²	130.7	62%	0.621	63%	0.628	S	S	*	*	H	α-helix	trans	-72.9	-41.8	174.9	-155	159.9	-155.6	0	0	111.5	Y1273 K1274 K1279 R1280 S1281	Y1273-E1277 PolarHBondContact O-N 3.37Å; K1274-E1277 PolarHBondContact O-N 2.76Å; E1277-K1279 VanDerWaalsContact C-N 3.31Å; E1277-K1279 PolarHBondContact O-N 3.32Å; E1277-R1280 PolarHBondContact O-N 3.03Å; E1277-R1280 VanDerWaalsContact O-N 3.11Å; E1277-S1281 PolarHBondContact O-N 3.37Å; E1277-S1281 PolarHBondContact O-OG 2.77Å
1278	A	48	Very low	50.7	Low	54 Å²	54	131.5 Å²	131.5	45%	0.446	64%	0.638	S	S	.	*	H	α-helix	trans	-63.9	-33.3	173.3	0	0	0	0	0	113.1	K1274 R1280 S1281	K1274-A1278 WeakPolarHBondContact O-CB 3.23Å; K1274-A1278 PolarHBondContact O-N 3.32Å; A1278-R1280 VanDerWaalsContact C-N 3.33Å; A1278-S1281 PolarHBondContact O-OG 3.44Å
1279	K	44	Very low	48.8	Very low	136 Å²	136	130 Å²	130	59%	0.591	64%	0.644	S	S	*	*	H	α-helix	trans	-76	-16.7	174.4	-84.2	-171.9	170.8	-169.8	0	114.1	R1275 E1277	R1275-K1279 WeakPolarHBondContact O-CB 3.4Å; R1275-K1279 PolarHBondContact O-N 2.94Å; R1275-K1279 VanDerWaalsContact O-N 3.14Å; E1277-K1279 VanDerWaalsContact C-N 3.31Å; E1277-K1279 PolarHBondContact O-N 3.32Å
1280	R	41.2	Very low	47.2	Very low	207 Å²	207	128.4 Å²	128.4	78%	0.781	64%	0.644	S	S	*	*	H	α-helix	trans	-88.3	-24.6	176.8	-149.3	176	-162.2	179.1	4.6	112.3	N1276 E1277 A1278	N1276-R1280 PolarHBondContact O-N 3.13Å; E1277-R1280 PolarHBondContact O-N 3.03Å; E1277-R1280 VanDerWaalsContact O-N 3.11Å; A1278-R1280 VanDerWaalsContact C-N 3.33Å
1281	S	40	Very low	45.5	Very low	82 Å²	82	129 Å²	129	57%	0.573	65%	0.653	S	S	*	*	H	α-helix	trans	-82.4	-21.1	177.1	55	0	0	0	0	114.5	E1277 A1278	E1277-S1281 PolarHBondContact O-N 3.37Å; E1277-S1281 PolarHBondContact O-OG 2.77Å; A1278-S1281 PolarHBondContact O-OG 3.44Å
1282	E	39	Very low	44.4	Very low	153 Å²	153	130.1 Å²	130.1	72%	0.715	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-15	176.9	-79.9	-176.7	158.3	0	0	114.1	V1284	E1282-V1284 VanDerWaalsContact C-N 3.32Å; E1282-V1284 PolarHBondContact O-N 3.28Å
1283	N	40.7	Very low	42.9	Very low	128 Å²	128	130.1 Å²	130.1	68%	0.684	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	7.3	-178.7	-85.8	-4.9	0	0	0	114.7
1284	V	42.2	Very low	41.8	Very low	101 Å²	101	130 Å²	130	61%	0.612	68%	0.677	S	S	*	*	S	Bend	trans	-103.6	-26.6	178.6	-179.2	0	0	0	0	112.6	E1282	E1282-V1284 VanDerWaalsContact C-N 3.32Å; E1282-V1284 PolarHBondContact O-N 3.28Å
1285	D	38.7	Very low	40.6	Very low	140 Å²	140	130.3 Å²	130.3	75%	0.749	69%	0.686	S	S	*	*	S	Bend	trans	-99.8	-5	-171.8	-73.8	-11.2	0	0	0	115.4
1286	S	42.4	Very low	39.7	Very low	80 Å²	80	129.6 Å²	129.6	56%	0.559	69%	0.69	S	S	*	*	S	Bend	trans	-97.1	-14.9	177	76.8	0	0	0	0	114.6
1287	A	39.6	Very low	38.7	Very low	72 Å²	72	131.2 Å²	131.2	60%	0.595	70%	0.697	S	S	*	*	H	α-helix	trans	-79.3	-19.8	-176.1	0	0	0	0	0	113.3
1288	E	37.3	Very low	38	Very low	176 Å²	176	134.1 Å²	134.1	82%	0.822	71%	0.71	S	S	*	*	H	α-helix	trans	-91.3	-12.4	-175.3	-133.7	170.7	-171.1	0	0	114.1
1289	A	36.5	Very low	37.1	Very low	80 Å²	80	139.8 Å²	139.8	66%	0.661	73%	0.733	S	S	*	*	H	α-helix	trans	-102	-21.2	-177	0	0	0	0	0	115.2
1290	V	39.1	Very low	36.6	Very low	102 Å²	102	137.8 Å²	137.8	62%	0.618	74%	0.742	S	S	*	*	H	α-helix	trans	-99.4	-20	-175.1	-174.8	0	0	0	0	113.2	K1292 S1293	V1290-K1292 PolarHBondContact O-N 2.79Å; V1290-S1293 PolarHBondContact O-N 3.38Å
1291	L	34.7	Very low	36.1	Very low	163 Å²	163	135.1 Å²	135.1	85%	0.853	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-2.7	178.2	-150.4	83.8	0	0	0	114.2
1292	K	36.9	Very low	35.8	Very low	202 Å²	202	134 Å²	134	88%	0.878	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	7.2	-179	-96.5	-177.2	178	175	0	115.7	V1290	V1290-K1292 PolarHBondContact O-N 2.79Å
1293	S	33.3	Very low	35.2	Very low	102 Å²	102	135.4 Å²	135.4	71%	0.713	76%	0.757	S	S	*	*	S	Bend	trans	-124.8	-11.4	-176.2	160.2	0	0	0	0	115.8	V1290 L1295	V1290-S1293 PolarHBondContact O-N 3.38Å; S1293-L1295 PolarHBondContact O-N 2.78Å
1294	E	35	Very low	34.8	Very low	179 Å²	179	137 Å²	137	84%	0.836	77%	0.765	S	S	*	*			trans	-94.5	62.4	179.4	-73.5	-174.4	160.8	0	0	113.1
1295	L	32.5	Very low	34.2	Very low	168 Å²	168	140.6 Å²	140.6	88%	0.88	78%	0.775	S	S	*	*			trans	-135.1	54.5	163.4	-142.1	117.4	0	0	0	110.4	S1293	S1293-L1295 PolarHBondContact O-N 2.78Å
1296	H	31.7	Very low	34	Very low	161 Å²	161	142.5 Å²	142.5	75%	0.745	78%	0.777	S	S	*	*	S	Bend	trans	-151.7	92.2	162.5	-137.5	-80.2	0	0	0	114
1297	I	32.1	Very low	33.3	Very low	136 Å²	136	147 Å²	147	70%	0.697	79%	0.789	S	S	*	*			trans	50.5	99	136.2	-46.8	-178.3	0	0	0	117.5
1298	Q	32.6	Very low	33.4	Very low	194 Å²	194	153.3 Å²	153.3	91%	0.907	80%	0.799	S	S	*	*			trans	-154.8	97.3	145.9	-106.5	-179.3	10.5	0	0	110
1299	N	30.9	Very low	33.3	Very low	174 Å²	174	153 Å²	153	93%	0.93	80%	0.795	S	S	*	*			trans	-143.5	92.4	164.9	-102.7	-17	0	0	0	107.6
1300	A	32.1	Very low	33.4	Very low	93 Å²	93	162 Å²	162	77%	0.769	82%	0.82	S	S	*	*			trans	-149.7	107.4	163.8	0	0	0	0	0	110
1301	V	31.8	Very low	33.1	Very low	151 Å²	151	165 Å²	165	92%	0.915	83%	0.83	S	S	*	*			trans	59.4	121.8	133.2	-171.9	0	0	0	0	119.4
1302	G	32.1	Very low	33.1	Very low	60 Å²	60	165.1 Å²	165.1	62%	0.619	83%	0.829	S	S	*	*				114.9	104.3	124.2	0	0	0	0	0	118.2
1303	E	28.3	Very low	32.8	Very low	182 Å²	182	163 Å²	163	85%	0.85	83%	0.826	S	S	*	*			trans	47.7	117.9	133.5	-62.8	179.9	161.7	0	0	120.5
1304	N	31.9	Very low	32.8	Very low	160 Å²	160	166.6 Å²	166.6	86%	0.856	83%	0.832	S	S	*	*				-172.6	121.3	114.4	-98.8	-41.9	0	0	0	112.5
1305	Q	29.9	Very low	32.7	Very low	177 Å²	177	165.8 Å²	165.8	83%	0.827	83%	0.832	S	S	*	*			trans	-70	137.8	162.5	-68.8	178.8	-36.4	0	0	109.9
1306	K	32.7	Very low	32.7	Very low	180 Å²	180	165.7 Å²	165.7	78%	0.783	83%	0.829	S	S	*	*			trans	-140.6	104.1	154.9	-82.9	-169.1	178.1	178	0	109.7
1307	E	29	Very low	32.8	Very low	174 Å²	174	166 Å²	166	81%	0.813	84%	0.835	S	S	*	*			trans	-71.2	144	161	-66.2	175.6	150.9	0	0	109.8
1308	Y	42.1	Very low	32.8	Very low	205 Å²	205	168.3 Å²	168.3	80%	0.804	85%	0.846	S	S	*	*			trans	-130.1	143.2	156.4	-85.6	-79.7	0	0	0	109.8
1309	F	34.8	Very low	32.8	Very low	171 Å²	171	166.2 Å²	166.2	75%	0.75	84%	0.841	S	S	*	*			trans	-77.4	157.9	-159.5	-79	-102.3	0	0	0	117.2
1310	F	38.7	Very low	33	Very low	267 Å²	267	165.5 Å²	165.5	100%	1.171	83%	0.832	S	S	*	*			trans	56.7	0	156	-78.3	-72.1	0	0	0	120.9

Retrieved 1,310 of 1,310 residues in 2919 ms (Link to these results)

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