A0A087XQE0_POEFO Loading...

DNA polymerase

AlphaFold DB , UniProt , Accession A0A087XQE0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,109 aa.

						>A0A087XQE0_POEFO|A0A087XQE0
MDFKRRNGGPLMGGASQAKRGKATGDWEDSPSQFEEELSMFDDAEMDVEDMEGQAGHDVIPVGDLFSADLNPRWRRPPAPSLDPSSDKLVFQQIDLDYYLGGSVAGMPGQSQGKVPIIRMFGVTDSGNSVCCHVHGFAPYFYVPAPNGGFTSNYLEEFKRELNSVVLKDMRSNKDNISITVLAVDICRKETKGIYGYHGQRSLDFLRITMAMPRLIAPAKRLLEQGFKFGPFPIQSYQAYEANIDFEIRFMVDSDVVGCCWIELPKGKYRVREEKSSTDADSQTLGKVSLCQYEVDVGWTDFISHPAEGEWQKIAPLRVLSFDIECAGRKGIFPEPDRDPVIQIASMVQRQGETEPFIRTVFTLQSCASIVGSQILCFTQEKQLLQSWAEFLRTVDPDIITGYNIQNFDFPYLLNRAAALKVNYFPYLGRMRGIKSVLRELSFQSKQMGRRENKTINMEGRVQFDLLQVLLRDYKLRSYTLNAVSFHFLQEQKEDVQHSIITDLQNGNEQTRRRLAVYCLKDAYLPLRLLQKLMCVINYMEMARVTGVPLTYLLSRGQQIKVVSQLLRQAMKQDLVMPVVKTEGGEDYTGATVIEPEKGYYSVPIATLDFSSLYPSIMMAHNLCYTTLLQKGAAEKLGLSPDDFIKTPTGDQFVKSSVRKGLLPEILENLLSARKRAKTELKKETDPFKKQVLDGRQLALKISANSVYGFTGAQVGKLPCLEISQSVTGFGRQMIEKTKQLVESKYTISNGYQADARVVYGDTDSVMVKLGVTTVKEAMEIGREAAEWVSSHFTPPIKLEFEKVYYPYLLINKKRYAGLYFSSSPDTHDKMDCKGIETVRRDNCPLVANLINTCLQKILIERDPQGAVDHAKEVISDLLCNRIDISQLVITKELTRTAQEYAGKQAHVELAESRMRKRDAGSAPNLGDRVPYVIIKAAKGAAAYMKSEDPIYVLENNIPIDTQYYLEQQLSKPLLRIFEPILGETKAESVLLKGDHTRCKTVLTSKVGGLMAFAQKRSTCIGCKAVLKTDAAVCDFCKKKESELYQKEIFHLNALEERFSRLWTQCQRCQGSLHEDVLCTSRDCPIFYMRKKVQKDLDDQSKLVSRFGW
					

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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	30.1	Very low	29.7	Very low	234 Å²	234	164.7 Å²	164.7	100%	1.153	86%	0.862	S	S	*	*				0	105.4	0	-58.5	178	-166.1	0	0	105.6
2	D	29.2	Very low	29.4	Very low	165 Å²	165	167 Å²	167	88%	0.882	87%	0.869	S	S	*	*			cis	-149.6	165.1	7	-89.2	-31.3	0	0	0	110.9
3	F	31.6	Very low	29	Very low	192 Å²	192	159.9 Å²	159.9	84%	0.842	86%	0.861	S	S	*	*			trans	-101	143.8	-161.4	-113	-90.8	0	0	0	113.1
4	K	30.5	Very low	28.7	Very low	175 Å²	175	155 Å²	155	76%	0.761	87%	0.867	S	S	*	*				152.8	121.5	116.7	-96.3	165.4	-177.9	177.9	0	116.1
5	R	32.5	Very low	28.3	Very low	216 Å²	216	151.1 Å²	151.1	82%	0.815	86%	0.862	S	S	*	*				51.1	143.8	129.2	-70.3	-176.7	177.9	-175.6	-1.4	120.5
6	R	31.7	Very low	28.3	Very low	216 Å²	216	149 Å²	149	82%	0.815	86%	0.86	S	S	*	*			cis	-174.6	135.8	-19.7	-132.1	-174.9	-174.9	179.2	0.2	107.2
7	N	28.6	Very low	28.2	Very low	152 Å²	152	151.9 Å²	151.9	81%	0.813	86%	0.864	S	S	*	*			trans	27.7	133.4	151	-56	0.3	0	0	0	121.2
8	G	26	Very low	28	Very low	84 Å²	84	148.8 Å²	148.8	87%	0.866	86%	0.86	S	S	*	*			cis	98.2	104.2	6	0	0	0	0	0	114.1
9	G	22.9	Very low	27.9	Very low	76 Å²	76	152.1 Å²	152.1	78%	0.784	86%	0.863	S	S	*	*			trans	-169.1	121.5	168.3	0	0	0	0	0	113.2
10	P	31.9	Very low	27.7	Very low	134 Å²	134	156.8 Å²	156.8	87%	0.87	87%	0.866	S	S	*	*			trans	-115.1	171.9	180	38.9	-27.5	0	0	0	115.7
11	L	32.1	Very low	27.6	Very low	168 Å²	168	153.1 Å²	153.1	88%	0.88	86%	0.864	S	S	*	*			trans	-43.5	152.5	178.5	-68.2	139.2	0	0	0	118.4
12	M	25.7	Very low	27.3	Very low	192 Å²	192	150.8 Å²	150.8	95%	0.946	85%	0.848	S	S	*	*			trans	175.1	140.5	135.7	-93.2	-95.3	174.8	0	0	114.2
13	G	25	Very low	27.2	Very low	75 Å²	75	147.3 Å²	147.3	77%	0.773	84%	0.842	S	S	*	*			trans	86.1	103.2	132.2	0	0	0	0	0	120.5
14	G	23.9	Very low	26.9	Very low	91 Å²	91	144.4 Å²	144.4	94%	0.938	84%	0.84	S	S	*	*			trans	-89.2	111.5	164.6	0	0	0	0	0	112.1
15	A	22.8	Very low	26.8	Very low	96 Å²	96	139.9 Å²	139.9	79%	0.793	84%	0.843	S	S	*	*			trans	-134.6	144.4	165.3	0	0	0	0	0	110
16	S	28.6	Very low	26.4	Very low	118 Å²	118	136.3 Å²	136.3	83%	0.825	84%	0.84	S	S	*	*			trans	-44.2	135.8	-175.3	58.9	0	0	0	0	116.1
17	Q	26.6	Very low	26.2	Very low	198 Å²	198	137.4 Å²	137.4	93%	0.925	84%	0.844	S	S	*	*			trans	-133.9	134.7	154.9	-82.4	-166.8	-4.5	0	0	112.8
18	A	23.9	Very low	26.1	Very low	96 Å²	96	137.7 Å²	137.7	79%	0.793	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-67.9	148.2	-175.7	0	0	0	0	0	113.2	R20	A18-R20 PolarHBondContact O-N 3.03Å
19	K	26.6	Very low	26.6	Very low	212 Å²	212	139.8 Å²	139.8	92%	0.922	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-56.5	119.8	168.8	-72.9	176.9	173.7	179.3	0	110.8
20	R	24.2	Very low	26.8	Very low	246 Å²	246	140.7 Å²	140.7	93%	0.928	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-95.3	128.3	155.6	-97.1	-178.9	166.9	178.9	-3.8	108.5	A18	A18-R20 PolarHBondContact O-N 3.03Å
21	G	25.5	Very low	26.8	Very low	80 Å²	80	138.1 Å²	138.1	83%	0.825	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-65.9	136.5	-177.7	0	0	0	0	0	112.9
22	K	24.1	Very low	27.2	Very low	185 Å²	185	132 Å²	132	80%	0.804	78%	0.781	S	S	*	*			trans	-86.9	111.2	162.6	-94.9	-175.4	170.7	-173.3	0	107.9	E28	K22-E28 IonicContact NZ-OE1 3.95Å; K22-E28 PolarHBondContact NZ-OE1 3.11Å
23	A	26.1	Very low	28	Very low	92 Å²	92	128.5 Å²	128.5	76%	0.76	76%	0.762	S	S	*	*			trans	-109.6	112.6	158	0	0	0	0	0	106.2
24	T	25.8	Very low	28.8	Very low	131 Å²	131	126.3 Å²	126.3	80%	0.804	73%	0.732	S	S	*	*			trans	178.5	132.7	152.3	31	0	0	0	0	108.3	D26	T24-D26 PolarHBondContact O-N 3.18Å
25	G	28.7	Very low	29.7	Very low	80 Å²	80	126.1 Å²	126.1	83%	0.825	71%	0.706	S	S	*	*			trans	-81.8	88.9	176.1	0	0	0	0	0	111.4
26	D	23.7	Very low	30.7	Very low	141 Å²	141	125.3 Å²	125.3	75%	0.754	69%	0.686	S	S	*	*			trans	-114.5	131.1	158.7	-87.4	-34.4	0	0	0	108.2	T24 E28	T24-D26 PolarHBondContact O-N 3.18Å; D26-E28 PolarHBondContact O-N 3.42Å; D26-E28 VanDerWaalsContact O-N 3.13Å
27	W	27.3	Very low	31.5	Very low	239 Å²	239	121.5 Å²	121.5	91%	0.905	66%	0.655	S	S	*	*			trans	-69.8	101.7	167.5	-65.3	81.7	0	0	0	106.1	D29	W27-D29 PolarHBondContact O-N 3.34Å; W27-D29 VanDerWaalsContact O-N 3.14Å
28	E	26.2	Very low	32.3	Very low	158 Å²	158	114.8 Å²	114.8	74%	0.738	63%	0.625	S	S	*	*			trans	-61.1	116.8	175.1	-85.7	177.6	172	0	0	108.8	K22 D26 S30	K22-E28 IonicContact NZ-OE1 3.95Å; K22-E28 PolarHBondContact NZ-OE1 3.11Å; D26-E28 PolarHBondContact O-N 3.42Å; D26-E28 VanDerWaalsContact O-N 3.13Å; E28-S30 PolarHBondContact O-N 2.58Å
29	D	36.6	Very low	33	Very low	128 Å²	128	113 Å²	113	68%	0.684	61%	0.607	S	S	*	*			trans	-66	115.2	172.9	-81.4	-55.8	0	0	0	109.4	W27 R1068	W27-D29 PolarHBondContact O-N 3.34Å; W27-D29 VanDerWaalsContact O-N 3.14Å; D29-R1068 IonicContact OD1-NH1 3.42Å; D29-R1068 PolarHBondContact OD1-NH1 2.82Å
30	S	28.2	Very low	33.7	Very low	95 Å²	95	108.5 Å²	108.5	66%	0.664	59%	0.591	S	S	*	*			trans	-144.3	147.7	165.3	-51.6	0	0	0	0	109.1	E28	E28-S30 PolarHBondContact O-N 2.58Å
31	P	30.9	Very low	34.5	Very low	80 Å²	80	98.7 Å²	98.7	52%	0.519	56%	0.555	S	S	.	*			trans	-55.2	165.2	173.7	-23	34.5	0	0	0	112.3	Q33 E36	P31-Q33 PolarHBondContact O-N 2.89Å; P31-E36 HydrophobicContact CB-CG 4.1Å; P31-E36 VanDerWaalsContact CD-OE1 3.26Å; P31-E36 WeakPolarHBondContact CD-OE1 3.4Å; P31-E36 HydrophobicContact CG-CG 4.36Å; P31-E36 WeakPolarHBondContact CG-OE1 3.17Å
32	S	39.9	Very low	35.4	Very low	38 Å²	38	98.4 Å²	98.4	27%	0.266	53%	0.534	S	S	.	.			trans	-57.6	119.3	170.8	127.4	0	0	0	0	108.3	F34 E35 E36	S32-F34 PolarHBondContact O-N 2.64Å; S32-F34 PolarHBondContact OG-N 2.87Å; S32-E35 PolarHBondContact O-N 3.49Å; S32-E35 PolarHBondContact OG-N 2.98Å; S32-E36 PolarHBondContact O-N 3.41Å
33	Q	44.1	Very low	36	Very low	119 Å²	119	95 Å²	95	56%	0.556	53%	0.525	S	S	*	.	H	α-helix	trans	-53.9	-20.7	-179.3	-156.2	175.7	28.1	0	0	112.1	P31 E37	P31-Q33 PolarHBondContact O-N 2.89Å; Q33-E37 WeakPolarHBondContact O-CB 3.32Å; Q33-E37 WeakPolarHBondContact O-CG 3.34Å; Q33-E37 PolarHBondContact O-N 3.22Å
34	F	40.3	Very low	36.4	Very low	30 Å²	30	93.3 Å²	93.3	13%	0.132	51%	0.511	C	S	.	.	H	α-helix	trans	-77.1	-35.6	177.4	179.5	-109.5	0	0	0	114.2	S32 L38 K521 Y524	S32-F34 PolarHBondContact O-N 2.64Å; S32-F34 PolarHBondContact OG-N 2.87Å; F34-L38 HydrophobicContact CD1-CD1 3.9Å; F34-L38 HydrophobicContact CE1-CD1 3.52Å; F34-L38 HydrophobicContact CE1-CG 4.47Å; F34-L38 HydrophobicContact CE2-CD1 4.46Å; F34-L38 HydrophobicContact CZ-CD1 3.84Å; F34-L38 HydrophobicContact CZ-CG 4.42Å; F34-L38 WeakPolarHBondContact O-CB 3.39Å; F34-L38 VanDerWaalsContact O-CG 3.26Å; F34-L38 WeakPolarHBondContact O-CG 3.31Å; F34-L38 PolarHBondContact O-N 3.36Å; F34-K521 VanDerWaalsContact CB-NZ 3.32Å; F34-K521 HydrophobicContact CD1-CD 4.08Å; F34-K521 HydrophobicContact CD2-CD 4.28Å; F34-K521 HydrophobicContact CE1-CD 3.93Å; F34-K521 HydrophobicContact CE2-CD 4.14Å; F34-K521 HydrophobicContact CG-CD 4.24Å; F34-K521 HydrophobicContact CZ-CD 3.96Å; F34-Y524 HydrophobicContact CD2-CD1 4.15Å; F34-Y524 HydrophobicContact CD2-CE1 4.11Å; F34-Y524 AromaticContact CE2-CD1 3.63Å; F34-Y524 HydrophobicContact CE2-CD1 3.63Å; F34-Y524 AromaticContact CE2-CE1 3.89Å; F34-Y524 HydrophobicContact CE2-CE1 3.89Å
35	E	44.5	Very low	37.1	Very low	86 Å²	86	91.2 Å²	91.2	40%	0.402	49%	0.492	S	S	.	.	H	α-helix	trans	-77.6	-35.7	175.2	-74	-175.5	158.7	0	0	110.8	S32 L38 S39 G1071	S32-E35 PolarHBondContact O-N 3.49Å; S32-E35 PolarHBondContact OG-N 2.98Å; E35-L38 CarbonylContact O-C 3.55Å; E35-L38 WeakPolarHBondContact O-CB 3.23Å; E35-L38 PolarHBondContact O-N 3.47Å; E35-S39 PolarHBondContact O-N 3.31Å; E35-S39 PolarHBondContact O-OG 3.44Å; E35-G1071 WeakPolarHBondContact OE1-CA 3.39Å
36	E	44	Very low	37.5	Very low	80 Å²	80	93.2 Å²	93.2	37%	0.374	48%	0.481	S	S	.	.	H	α-helix	trans	-65.6	-40.5	168.7	-81.8	-179.4	167.9	0	0	111.8	P31 S32 S39 M40	P31-E36 HydrophobicContact CB-CG 4.1Å; P31-E36 VanDerWaalsContact CD-OE1 3.26Å; P31-E36 WeakPolarHBondContact CD-OE1 3.4Å; P31-E36 HydrophobicContact CG-CG 4.36Å; P31-E36 WeakPolarHBondContact CG-OE1 3.17Å; S32-E36 PolarHBondContact O-N 3.41Å; E36-S39 WeakPolarHBondContact CA-OG 3.44Å; E36-S39 PolarHBondContact O-N 3.1Å; E36-S39 PolarHBondContact O-OG 3.01Å; E36-S39 VanDerWaalsContact O-OG 3.06Å; E36-M40 VanDerWaalsContact O-CB 3.27Å; E36-M40 WeakPolarHBondContact O-CB 3.41Å; E36-M40 VanDerWaalsContact O-CG 3.23Å; E36-M40 WeakPolarHBondContact O-CG 3.19Å; E36-M40 PolarHBondContact O-N 3.47Å
37	E	45	Very low	38.1	Very low	37 Å²	37	92.5 Å²	92.5	17%	0.173	48%	0.477	C	S	.	.	H	α-helix	trans	-58.2	-49.3	169.8	-84	170.2	-164.5	0	0	109.6	Q33 S39 M40 F41 R528	Q33-E37 WeakPolarHBondContact O-CB 3.32Å; Q33-E37 WeakPolarHBondContact O-CG 3.34Å; Q33-E37 PolarHBondContact O-N 3.22Å; E37-S39 PolarHBondContact O-N 3.24Å; E37-M40 PolarHBondContact O-N 3.37Å; E37-F41 HydrophobicContact CB-CD2 4.48Å; E37-F41 HydrophobicContact CB-CE2 3.78Å; E37-F41 HydrophobicContact CB-CZ 4.27Å; E37-F41 WeakPolarHBondContact O-CD2 3.45Å; E37-F41 VanDerWaalsContact O-CE2 3.31Å; E37-F41 WeakPolarHBondContact O-CE2 3.35Å; E37-F41 WeakPolarHBondContact O-CG 3.31Å; E37-F41 PolarHBondContact O-N 2.96Å; E37-R528 IonicContact OE1-NH2 3.58Å; E37-R528 PolarHBondContact OE1-NH2 2.93Å; E37-R528 IonicContact OE2-NH2 3.77Å
38	L	43.2	Very low	38.6	Very low	58 Å²	58	85.4 Å²	85.4	30%	0.304	46%	0.46	S	S	.	.	H	α-helix	trans	-56.3	-42.1	174.7	-76.6	165.4	0	0	0	113.5	F34 E35 F41 D42	F34-L38 HydrophobicContact CD1-CD1 3.9Å; F34-L38 HydrophobicContact CE1-CD1 3.52Å; F34-L38 HydrophobicContact CE1-CG 4.47Å; F34-L38 HydrophobicContact CE2-CD1 4.46Å; F34-L38 HydrophobicContact CZ-CD1 3.84Å; F34-L38 HydrophobicContact CZ-CG 4.42Å; F34-L38 WeakPolarHBondContact O-CB 3.39Å; F34-L38 VanDerWaalsContact O-CG 3.26Å; F34-L38 WeakPolarHBondContact O-CG 3.31Å; F34-L38 PolarHBondContact O-N 3.36Å; E35-L38 CarbonylContact O-C 3.55Å; E35-L38 WeakPolarHBondContact O-CB 3.23Å; E35-L38 PolarHBondContact O-N 3.47Å; L38-F41 WeakPolarHBondContact O-CB 3.29Å; L38-F41 PolarHBondContact O-N 3.11Å; L38-D42 PolarHBondContact O-N 3.32Å
39	S	37.8	Very low	39.2	Very low	57 Å²	57	84.7 Å²	84.7	40%	0.399	46%	0.457	S	S	.	.	H	α-helix	trans	-78.4	-30.2	178.8	64.8	0	0	0	0	113.8	E35 E36 E37 F41 D42	E35-S39 PolarHBondContact O-N 3.31Å; E35-S39 PolarHBondContact O-OG 3.44Å; E36-S39 WeakPolarHBondContact CA-OG 3.44Å; E36-S39 PolarHBondContact O-N 3.1Å; E36-S39 PolarHBondContact O-OG 3.01Å; E36-S39 VanDerWaalsContact O-OG 3.06Å; E37-S39 PolarHBondContact O-N 3.24Å; S39-F41 VanDerWaalsContact C-N 3.26Å; S39-D42 WeakPolarHBondContact CA-OD2 3.28Å; S39-D42 VanDerWaalsContact O-CB 3.26Å; S39-D42 WeakPolarHBondContact O-CB 3.32Å; S39-D42 PolarHBondContact O-N 3.4Å
40	M	41.1	Very low	39.2	Very low	119 Å²	119	85.7 Å²	85.7	59%	0.586	46%	0.462	S	S	*	.	H	α-helix	trans	-74	-22.6	172.3	-72.4	-166.1	-46.6	0	0	111.4	E36 E37 D42 A44	E36-M40 VanDerWaalsContact O-CB 3.27Å; E36-M40 WeakPolarHBondContact O-CB 3.41Å; E36-M40 VanDerWaalsContact O-CG 3.23Å; E36-M40 WeakPolarHBondContact O-CG 3.19Å; E36-M40 PolarHBondContact O-N 3.47Å; E37-M40 PolarHBondContact O-N 3.37Å; M40-D42 VanDerWaalsContact C-N 3.33Å; M40-A44 PolarHBondContact O-N 3.19Å
41	F	42.8	Very low	39.7	Very low	39 Å²	39	89.1 Å²	89.1	17%	0.171	47%	0.47	C	S	.	.	H	α-helix	trans	-68.7	-31.2	166.9	-64.5	-48.1	0	0	0	111.8	E37 L38 S39 D43 A44 E45 E355	E37-F41 HydrophobicContact CB-CD2 4.48Å; E37-F41 HydrophobicContact CB-CE2 3.78Å; E37-F41 HydrophobicContact CB-CZ 4.27Å; E37-F41 WeakPolarHBondContact O-CD2 3.45Å; E37-F41 VanDerWaalsContact O-CE2 3.31Å; E37-F41 WeakPolarHBondContact O-CE2 3.35Å; E37-F41 WeakPolarHBondContact O-CG 3.31Å; E37-F41 PolarHBondContact O-N 2.96Å; L38-F41 WeakPolarHBondContact O-CB 3.29Å; L38-F41 PolarHBondContact O-N 3.11Å; S39-F41 VanDerWaalsContact C-N 3.26Å; F41-D43 VanDerWaalsContact C-N 3.31Å; F41-D43 PolarHBondContact O-N 3.45Å; F41-A44 PolarHBondContact O-N 3.2Å; F41-E45 WeakPolarHBondContact O-CB 3.17Å; F41-E45 PolarHBondContact O-N 3.43Å; F41-E355 HydrophobicContact CE1-CG 4.29Å; F41-E355 VanDerWaalsContact CE1-OE1 3.28Å; F41-E355 WeakPolarHBondContact CE1-OE1 3.18Å; F41-E355 WeakPolarHBondContact CE1-OE2 3.35Å; F41-E355 HydrophobicContact CZ-CG 4.3Å
42	D	42.6	Very low	39.9	Very low	75 Å²	75	92.4 Å²	92.4	40%	0.401	48%	0.478	S	S	.	.	H	α-helix	trans	-58.8	-42.2	174.5	-62.1	-28.8	0	0	0	111.4	L38 S39 M40 M46	L38-D42 PolarHBondContact O-N 3.32Å; S39-D42 WeakPolarHBondContact CA-OD2 3.28Å; S39-D42 VanDerWaalsContact O-CB 3.26Å; S39-D42 WeakPolarHBondContact O-CB 3.32Å; S39-D42 PolarHBondContact O-N 3.4Å; M40-D42 VanDerWaalsContact C-N 3.33Å; D42-M46 WeakPolarHBondContact O-CB 3.19Å; D42-M46 WeakPolarHBondContact O-CG 3.12Å; D42-M46 PolarHBondContact O-N 3.2Å
43	D	36.6	Very low	39.5	Very low	114 Å²	114	94.5 Å²	94.5	61%	0.61	51%	0.506	S	S	*	.	H	α-helix	trans	-71.4	-35	179.6	-72.4	-24.7	0	0	0	112.4	F41	F41-D43 VanDerWaalsContact C-N 3.31Å; F41-D43 PolarHBondContact O-N 3.45Å
44	A	36.1	Very low	39	Very low	55 Å²	55	98.2 Å²	98.2	46%	0.455	52%	0.523	S	S	.	.	H	α-helix	trans	-82.2	-30.3	-178.2	0	0	0	0	0	113.6	M40 F41 V48	M40-A44 PolarHBondContact O-N 3.19Å; F41-A44 PolarHBondContact O-N 3.2Å; A44-V48 WeakPolarHBondContact O-CG2 3.21Å
45	E	39.8	Very low	38.7	Very low	87 Å²	87	101.7 Å²	101.7	41%	0.407	56%	0.557	S	S	.	*	H	α-helix	trans	-76.3	-34.4	173.7	-79.2	-171.8	153	0	0	111.8	F41 D47 V48 E49	F41-E45 WeakPolarHBondContact O-CB 3.17Å; F41-E45 PolarHBondContact O-N 3.43Å; E45-D47 PolarHBondContact O-N 2.73Å; E45-V48 PolarHBondContact O-N 2.7Å; E45-E49 WeakPolarHBondContact O-CB 3.47Å; E45-E49 WeakPolarHBondContact O-CG 3.4Å; E45-E49 PolarHBondContact O-N 3.33Å
46	M	36.5	Very low	38.3	Very low	122 Å²	122	100.9 Å²	100.9	60%	0.601	57%	0.572	S	S	*	*	H	α-helix	trans	-56.6	-37.8	172.1	-87.7	-177.1	44.2	0	0	112.7	D42 V48 D50	D42-M46 WeakPolarHBondContact O-CB 3.19Å; D42-M46 WeakPolarHBondContact O-CG 3.12Å; D42-M46 PolarHBondContact O-N 3.2Å; M46-V48 VanDerWaalsContact C-N 3.29Å; M46-V48 PolarHBondContact O-N 3.21Å; M46-D50 PolarHBondContact O-N 2.84Å
47	D	37.5	Very low	38.2	Very low	127 Å²	127	105 Å²	105	68%	0.679	59%	0.591	S	S	*	*	H	α-helix	trans	-72.5	-19.3	177.3	-81.7	-15	0	0	0	113.4	E45	E45-D47 PolarHBondContact O-N 2.73Å
48	V	37.4	Very low	38.7	Very low	90 Å²	90	108.5 Å²	108.5	55%	0.545	61%	0.61	S	S	.	*	H	α-helix	trans	-97.9	-32.8	179.8	-178.6	0	0	0	0	111.6	A44 E45 M46 D50 M51 E52	A44-V48 WeakPolarHBondContact O-CG2 3.21Å; E45-V48 PolarHBondContact O-N 2.7Å; M46-V48 VanDerWaalsContact C-N 3.29Å; M46-V48 PolarHBondContact O-N 3.21Å; V48-D50 VanDerWaalsContact C-N 3.26Å; V48-D50 PolarHBondContact O-N 3.06Å; V48-M51 PolarHBondContact O-N 2.73Å; V48-M51 VanDerWaalsContact O-N 3.08Å; V48-E52 PolarHBondContact O-N 2.99Å
49	E	39.2	Very low	39.4	Very low	142 Å²	142	108 Å²	108	66%	0.664	61%	0.61	S	S	*	*	H	α-helix	trans	-65	-27.6	174.4	-75	-171.8	164.7	0	0	112.7	E45 M51	E45-E49 WeakPolarHBondContact O-CB 3.47Å; E45-E49 WeakPolarHBondContact O-CG 3.4Å; E45-E49 PolarHBondContact O-N 3.33Å; E49-M51 PolarHBondContact O-N 2.83Å
50	D	36.8	Very low	40.5	Very low	149 Å²	149	107 Å²	107	80%	0.797	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-8.3	172.8	-89.6	-14.1	0	0	0	113.5	M46 V48	M46-D50 PolarHBondContact O-N 2.84Å; V48-D50 VanDerWaalsContact C-N 3.26Å; V48-D50 PolarHBondContact O-N 3.06Å
51	M	38.1	Very low	41.1	Very low	168 Å²	168	106 Å²	106	83%	0.828	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.8	-16.6	-179.5	-66.9	-157.9	79.7	0	0	116	V48 E49	V48-M51 PolarHBondContact O-N 2.73Å; V48-M51 VanDerWaalsContact O-N 3.08Å; E49-M51 PolarHBondContact O-N 2.83Å
52	E	33.9	Very low	41.8	Very low	148 Å²	148	107.5 Å²	107.5	69%	0.692	61%	0.614	S	S	*	*	S	Bend	trans	-135	118.2	179.8	-68.2	-170.7	167.4	0	0	112.5	V48	V48-E52 PolarHBondContact O-N 2.99Å
53	G	32	Very low	42	Very low	82 Å²	82	105.1 Å²	105.1	85%	0.845	61%	0.608	S	S	*	*			trans	-56.9	133.4	-171.1	0	0	0	0	0	116.1
54	Q	35	Very low	42.7	Very low	198 Å²	198	105.8 Å²	105.8	93%	0.925	61%	0.611	S	S	*	*			trans	-4.5	109.9	163	-69.6	177.5	-14.9	0	0	117.2
55	A	33.8	Very low	43.5	Very low	103 Å²	103	108.2 Å²	108.2	85%	0.851	62%	0.616	S	S	*	*			trans	-102.4	109.1	153	0	0	0	0	0	108.7
56	G	35.5	Very low	44.4	Very low	68 Å²	68	105.5 Å²	105.5	70%	0.701	60%	0.603	S	S	*	*			trans	-75	152.6	-173.1	0	0	0	0	0	115.9
57	H	41.9	Very low	45.3	Very low	168 Å²	168	102.4 Å²	102.4	78%	0.778	59%	0.593	S	S	*	*			trans	73.2	91.5	168.1	-58.9	-62.5	0	0	0	117.8	V59	H57-V59 PolarHBondContact O-N 2.78Å
58	D	55.8	Low	45.9	Very low	109 Å²	109	97.2 Å²	97.2	58%	0.583	57%	0.568	S	S	*	*	S	Bend	trans	-64.1	-15	173.9	-62.7	-40.8	0	0	0	115.1	I375	D58-I375 PolarHBondContact O-N 3.2Å
59	V	57.3	Low	46.7	Very low	48 Å²	48	98.6 Å²	98.6	29%	0.291	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.1	114.3	177.1	-174.9	0	0	0	0	108.8	H57	H57-V59 PolarHBondContact O-N 2.78Å
60	I	60.2	Low	47.5	Very low	35 Å²	35	96.4 Å²	96.4	18%	0.179	57%	0.565	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.1	132.1	174.8	-56.6	-167.6	0	0	0	108.7	L70 I375 L376	I60-L70 HydrophobicContact CD1-CD1 4.44Å; I60-L70 HydrophobicContact CD1-CD2 4.18Å; I60-I375 PolarHBondContact N-O 3.43Å; I60-L376 HydrophobicContact CB-CD2 4.05Å; I60-L376 HydrophobicContact CD1-CD2 3.37Å; I60-L376 HydrophobicContact CG1-CD2 3.7Å
61	P	55.1	Low	49	Very low	98 Å²	98	90.8 Å²	90.8	64%	0.636	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-53.5	144.9	-179.4	-25.7	33.1	0	0	0	113.5	G63	P61-G63 PolarHBondContact O-N 2.85Å
62	V	56.3	Low	50.4	Low	72 Å²	72	88 Å²	88	44%	0.436	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	119.9	-178.3	176.6	0	0	0	0	110.9	C377 T379	V62-C377 HydrophobicContact CG2-CB 3.77Å; V62-T379 HydrophobicContact CG1-CG2 3.28Å
63	G	47.1	Very low	52.4	Low	25 Å²	25	89 Å²	89	26%	0.258	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	128.9	-17.7	161.2	0	0	0	0	0	117.6	P61	P61-G63 PolarHBondContact O-N 2.85Å
64	D	51.2	Low	54.9	Low	128 Å²	128	85.2 Å²	85.2	68%	0.684	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-88.2	141.4	-179	-71	-32.1	0	0	0	112.6
65	L	52.8	Low	57.5	Low	106 Å²	106	81.2 Å²	81.2	56%	0.555	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-68.3	136.2	170.4	-86.4	153	0	0	0	109.4	S67 Q383	L65-S67 PolarHBondContact O-N 3.13Å; L65-Q383 HydrophobicContact CD2-CG 4.48Å
66	F	59.7	Low	60.2	Low	30 Å²	30	77.4 Å²	77.4	13%	0.132	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-56.2	128.4	176.1	173.2	-99.8	0	0	0	111.8	A68 L70 W74 E390	F66-A68 VanDerWaalsContact CE1-CA 3.47Å; F66-A68 HydrophobicContact CE1-CB 4.02Å; F66-A68 VanDerWaalsContact CZ-CA 3.5Å; F66-A68 HydrophobicContact CZ-CB 4.41Å; F66-L70 HydrophobicContact CE2-CB 4.42Å; F66-W74 HydrophobicContact CD2-CH2 4.19Å; F66-W74 AromaticContact CD2-CZ3 3.91Å; F66-W74 HydrophobicContact CD2-CZ3 3.91Å; F66-W74 HydrophobicContact CE1-CE3 4.27Å; F66-W74 AromaticContact CE1-CZ3 3.8Å; F66-W74 HydrophobicContact CE1-CZ3 3.8Å; F66-W74 AromaticContact CE2-CE3 3.77Å; F66-W74 HydrophobicContact CE2-CE3 3.77Å; F66-W74 AromaticContact CE2-CH2 3.57Å; F66-W74 HydrophobicContact CE2-CH2 3.57Å; F66-W74 AromaticContact CE2-CZ3 3.05Å; F66-W74 HydrophobicContact CE2-CZ3 3.05Å; F66-W74 AromaticContact CZ-CE3 3.37Å; F66-W74 HydrophobicContact CZ-CE3 3.37Å; F66-W74 AromaticContact CZ-CH2 3.99Å; F66-W74 HydrophobicContact CZ-CH2 3.99Å; F66-W74 AromaticContact CZ-CZ3 2.99Å; F66-W74 HydrophobicContact CZ-CZ3 2.99Å; F66-E390 HydrophobicContact CD1-CB 4.19Å; F66-E390 HydrophobicContact CD1-CG 3.85Å; F66-E390 HydrophobicContact CE1-CG 4.03Å
67	S	54.9	Low	62.8	Low	57 Å²	57	77.5 Å²	77.5	40%	0.399	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-101.2	133.2	161.4	177.7	0	0	0	0	109.7	L65 D69 L70	L65-S67 PolarHBondContact O-N 3.13Å; S67-D69 PolarHBondContact O-N 3.09Å; S67-L70 WeakPolarHBondContact O-CB 3.48Å; S67-L70 PolarHBondContact O-N 2.74Å; S67-L70 VanDerWaalsContact O-N 3.1Å
68	A	50.7	Low	65	Low	17 Å²	17	75.3 Å²	75.3	14%	0.14	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-2.8	179.5	0	0	0	0	0	114.8	F66 R75 T394	F66-A68 VanDerWaalsContact CE1-CA 3.47Å; F66-A68 HydrophobicContact CE1-CB 4.02Å; F66-A68 VanDerWaalsContact CZ-CA 3.5Å; F66-A68 HydrophobicContact CZ-CB 4.41Å; A68-R75 VanDerWaalsContact CB-NH2 3.34Å; A68-R75 PolarHBondContact O-NE 3.35Å; A68-R75 PolarHBondContact O-NH2 2.87Å; A68-T394 HydrophobicContact CB-CG2 4.19Å
69	D	53.5	Low	66.6	Low	119 Å²	119	71.8 Å²	71.8	64%	0.636	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-7.1	177.8	-59.2	-38.6	0	0	0	113.1	S67 R75	S67-D69 PolarHBondContact O-N 3.09Å; D69-R75 IonicContact OD1-CZ 2.83Å; D69-R75 IonicContact OD1-NH1 3.78Å; D69-R75 IonicContact OD1-NH2 3.67Å; D69-R75 PolarHBondContact OD1-NH2 2.99Å
70	L	55.9	Low	68.2	Low	97 Å²	97	73.4 Å²	73.4	51%	0.508	41%	0.413	S	S	.	.	S	Bend	trans	-72.6	-28.1	-176.7	-91.1	149.7	0	0	0	114.8	I60 F66 S67	I60-L70 HydrophobicContact CD1-CD1 4.44Å; I60-L70 HydrophobicContact CD1-CD2 4.18Å; F66-L70 HydrophobicContact CE2-CB 4.42Å; S67-L70 WeakPolarHBondContact O-CB 3.48Å; S67-L70 PolarHBondContact O-N 2.74Å; S67-L70 VanDerWaalsContact O-N 3.1Å
71	N	67.3	Low	69.6	Low	31 Å²	31	77.3 Å²	77.3	17%	0.166	44%	0.443	C	S	.	.			trans	-136.3	99.6	177.1	-164.9	-23.4	0	0	0	111.4	R73 W74 Q374	N71-R73 PolarHBondContact O-N 3.17Å; N71-R73 VanDerWaalsContact O-N 3.14Å; N71-R73 VanDerWaalsContact OD1-CB 3.26Å; N71-R73 WeakPolarHBondContact OD1-CB 3.46Å; N71-R73 PolarHBondContact OD1-N 3.29Å; N71-W74 HydrophobicContact CB-CD2 4.17Å; N71-W74 HydrophobicContact CB-CG 4.2Å; N71-W74 PolarHBondContact ND2-NE1 2.91Å; N71-W74 PolarHBondContact O-N 2.8Å; N71-Q374 PolarHBondContact ND2-OE1 3.33Å
72	P	67.9	Low	71.3	Confident	109 Å²	109	74.4 Å²	74.4	71%	0.708	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-20.2	-178.9	25	-32.8	0	0	0	113	W74	P72-W74 PolarHBondContact O-N 2.87Å
73	R	75.6	Confident	73	Confident	169 Å²	169	74.5 Å²	74.5	64%	0.638	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-21.3	178.5	-62.4	-174.8	171	-177.6	-1.1	113.1	N71	N71-R73 PolarHBondContact O-N 3.17Å; N71-R73 VanDerWaalsContact O-N 3.14Å; N71-R73 VanDerWaalsContact OD1-CB 3.26Å; N71-R73 WeakPolarHBondContact OD1-CB 3.46Å; N71-R73 PolarHBondContact OD1-N 3.29Å
74	W	84.8	Confident	75	Confident	2 Å²	2	74.9 Å²	74.9	1%	0.008	42%	0.418	C	S	.	.	S	Bend	trans	-75	-38.7	-176.9	-68.4	4.2	0	0	0	113.2	F66 N71 P72 R318 I358 T360 F362 L376 F391 T394 V395	F66-W74 HydrophobicContact CD2-CH2 4.19Å; F66-W74 AromaticContact CD2-CZ3 3.91Å; F66-W74 HydrophobicContact CD2-CZ3 3.91Å; F66-W74 HydrophobicContact CE1-CE3 4.27Å; F66-W74 AromaticContact CE1-CZ3 3.8Å; F66-W74 HydrophobicContact CE1-CZ3 3.8Å; F66-W74 AromaticContact CE2-CE3 3.77Å; F66-W74 HydrophobicContact CE2-CE3 3.77Å; F66-W74 AromaticContact CE2-CH2 3.57Å; F66-W74 HydrophobicContact CE2-CH2 3.57Å; F66-W74 AromaticContact CE2-CZ3 3.05Å; F66-W74 HydrophobicContact CE2-CZ3 3.05Å; F66-W74 AromaticContact CZ-CE3 3.37Å; F66-W74 HydrophobicContact CZ-CE3 3.37Å; F66-W74 AromaticContact CZ-CH2 3.99Å; F66-W74 HydrophobicContact CZ-CH2 3.99Å; F66-W74 AromaticContact CZ-CZ3 2.99Å; F66-W74 HydrophobicContact CZ-CZ3 2.99Å; N71-W74 HydrophobicContact CB-CD2 4.17Å; N71-W74 HydrophobicContact CB-CG 4.2Å; N71-W74 PolarHBondContact ND2-NE1 2.91Å; N71-W74 PolarHBondContact O-N 2.8Å; P72-W74 PolarHBondContact O-N 2.87Å; W74-R318 PolarHBondContact O-NH1 2.89Å; W74-I358 HydrophobicContact CB-CD1 4.43Å; W74-I358 HydrophobicContact CG-CD1 4.26Å; W74-T360 HydrophobicContact CH2-CG2 4.43Å; W74-T360 HydrophobicContact CZ2-CG2 4.01Å; W74-F362 HydrophobicContact CH2-CZ 4.31Å; W74-L376 HydrophobicContact CH2-CD1 3.79Å; W74-L376 HydrophobicContact CZ2-CD1 4.35Å; W74-F391 AromaticContact CD2-CD2 3.86Å; W74-F391 HydrophobicContact CD2-CD2 3.86Å; W74-F391 HydrophobicContact CD2-CE2 4.07Å; W74-F391 AromaticContact CE2-CD2 4Å; W74-F391 AromaticContact CE2-CE2 3.97Å; W74-F391 AromaticContact CE3-CD2 3.59Å; W74-F391 HydrophobicContact CE3-CD2 3.59Å; W74-F391 HydrophobicContact CE3-CE2 4.27Å; W74-F391 AromaticContact CH2-CD2 3.63Å; W74-F391 HydrophobicContact CH2-CD2 3.63Å; W74-F391 HydrophobicContact CH2-CE2 4.27Å; W74-F391 AromaticContact CZ2-CD2 3.92Å; W74-F391 HydrophobicContact CZ2-CD2 3.92Å; W74-F391 HydrophobicContact CZ2-CE2 4.1Å; W74-F391 HydrophobicContact CZ3-CB 4.06Å; W74-F391 AromaticContact CZ3-CD2 3.44Å; W74-F391 HydrophobicContact CZ3-CD2 3.44Å; W74-F391 VanDerWaalsContact CZ3-CD2 3.44Å; W74-F391 HydrophobicContact CZ3-CE2 4.34Å; W74-F391 HydrophobicContact CZ3-CG 4.23Å; W74-T394 HydrophobicContact CB-CG2 4.28Å; W74-V395 HydrophobicContact CB-CG2 4.1Å; W74-V395 HydrophobicContact CG-CG2 4.34Å; W74-V395 WeakPolarHBondContact O-CA 3.29Å
75	R	89.6	Confident	76.9	Confident	115 Å²	115	72.5 Å²	72.5	43%	0.434	41%	0.412	S	S	.	.	S	Bend	trans	-70.1	156.2	-176.2	-66.5	-174.1	-173	-174.4	6.9	111.2	A68 D69 R318 T394	A68-R75 VanDerWaalsContact CB-NH2 3.34Å; A68-R75 PolarHBondContact O-NE 3.35Å; A68-R75 PolarHBondContact O-NH2 2.87Å; D69-R75 IonicContact OD1-CZ 2.83Å; D69-R75 IonicContact OD1-NH1 3.78Å; D69-R75 IonicContact OD1-NH2 3.67Å; D69-R75 PolarHBondContact OD1-NH2 2.99Å; R75-R318 PolarHBondContact O-NH2 3.5Å; R75-T394 HydrophobicContact CG-CG2 3.71Å
76	R	91.5	Very high	78.8	Confident	22 Å²	22	70.5 Å²	70.5	8%	0.083	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-66.4	151.1	165.3	-72.3	-177.6	-179.5	-86.8	-3.6	109.3	G127 D396 D398	R76-G127 WeakPolarHBondContact CD-O 3.35Å; R76-G127 PolarHBondContact NH1-O 3.42Å; R76-D396 PolarHBondContact NE-O 3.07Å; R76-D396 IonicContact NE-OD2 2.74Å; R76-D396 PolarHBondContact NE-OD2 3.09Å; R76-D396 VanDerWaalsContact NE-OD2 3.16Å; R76-D396 PolarHBondContact NH2-O 3.34Å; R76-D398 IonicContact CZ-OD2 2.95Å; R76-D398 IonicContact NH1-OD2 3.48Å; R76-D398 IonicContact NH2-OD1 3.23Å; R76-D398 PolarHBondContact NH2-OD1 3.02Å; R76-D398 IonicContact NH2-OD2 2.75Å; R76-D398 PolarHBondContact NH2-OD2 3.46Å
77	P	88.9	Confident	80.5	Confident	71 Å²	71	71.9 Å²	71.9	46%	0.461	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-50.8	143.9	171.2	-24.4	34	0	0	0	110.6	A79 N128 Q292	P77-A79 PolarHBondContact O-N 3.5Å; P77-N128 PolarHBondContact O-OD1 2.81Å; P77-Q292 PolarHBondContact O-NE2 2.84Å
78	P	89.8	Confident	82.5	Confident	122 Å²	122	75 Å²	75	79%	0.792	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-59.4	132.8	179.8	24.9	-33.1	0	0	0	110.4
79	A	89.6	Confident	84.7	Confident	34 Å²	34	74.5 Å²	74.5	28%	0.281	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-75.9	129.9	-178.2	0	0	0	0	0	109.9	P77 N128 Q292 Y293	P77-A79 PolarHBondContact O-N 3.5Å; A79-N128 HydrophobicContact CB-CB 4.35Å; A79-Q292 HydrophobicContact CB-CB 3.85Å; A79-Q292 HydrophobicContact CB-CG 4.45Å; A79-Y293 HydrophobicContact CB-CE1 3.96Å; A79-Y293 HydrophobicContact CB-CE2 3.92Å
80	P	90.6	Very high	86.8	Confident	83 Å²	83	70.4 Å²	70.4	54%	0.539	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-54.8	149.3	173.6	-26.1	33.6	0	0	0	112.5	L82 Y293	P80-L82 PolarHBondContact O-N 3.36Å; P80-Y293 VanDerWaalsContact CD-OH 3.29Å; P80-Y293 WeakPolarHBondContact CD-OH 3.21Å; P80-Y293 WeakPolarHBondContact O-CE1 3.4Å; P80-Y293 PolarHBondContact O-OH 3.33Å
81	S	89	Confident	88.7	Confident	117 Å²	117	65.8 Å²	65.8	82%	0.818	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-60	134.3	171.1	55.5	0	0	0	0	110
82	L	90.1	Very high	90.2	Very high	37 Å²	37	64.3 Å²	64.3	19%	0.194	36%	0.364	C	S	.	.			trans	-113.8	118.1	-177.5	-173	70.5	0	0	0	108.9	P80 P84 D87 L89 Y269 V271 Y293	P80-L82 PolarHBondContact O-N 3.36Å; L82-P84 WeakPolarHBondContact O-CD 3.35Å; L82-D87 HydrophobicContact CD1-CB 3.73Å; L82-L89 HydrophobicContact CD2-CB 4.35Å; L82-L89 HydrophobicContact CD2-CD1 4.34Å; L82-L89 HydrophobicContact CD2-CD2 4.2Å; L82-Y269 WeakPolarHBondContact CD1-OH 3.28Å; L82-Y269 HydrophobicContact CD2-CE2 3.6Å; L82-Y269 HydrophobicContact CG-CE2 4.14Å; L82-Y269 WeakPolarHBondContact CG-OH 3.41Å; L82-V271 HydrophobicContact CD2-CG2 3.95Å; L82-Y293 HydrophobicContact CB-CE1 4.01Å; L82-Y293 HydrophobicContact CD2-CD1 4.3Å; L82-Y293 HydrophobicContact CD2-CE1 4.41Å
83	D	91.9	Very high	91.5	Very high	73 Å²	73	59.2 Å²	59.2	39%	0.39	33%	0.331	S	S	.	.			trans	-94	110.1	170.6	179.3	-9.6	0	0	0	109.5	S85 S86 D87	D83-S85 VanDerWaalsContact CG-OG 3.26Å; D83-S85 PolarHBondContact O-N 2.91Å; D83-S85 WeakPolarHBondContact OD1-CB 3.37Å; D83-S85 PolarHBondContact OD1-N 3.26Å; D83-S85 PolarHBondContact OD1-OG 3.44Å; D83-S85 PolarHBondContact OD2-OG 3.34Å; D83-S86 WeakPolarHBondContact CB-OG 3.18Å; D83-S86 PolarHBondContact O-N 2.99Å; D83-D87 PolarHBondContact N-OD2 3.09Å; D83-D87 VanDerWaalsContact O-CB 3.26Å; D83-D87 WeakPolarHBondContact O-CB 3.43Å; D83-D87 PolarHBondContact O-N 2.93Å
84	P	90.2	Very high	92.5	Very high	34 Å²	34	51.3 Å²	51.3	22%	0.221	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.3	-177.8	-21.8	33.6	0	0	0	114.4	L82 G267 Y269 V271	L82-P84 WeakPolarHBondContact O-CD 3.35Å; P84-G267 WeakPolarHBondContact O-CA 3.38Å; P84-G267 PolarHBondContact O-N 3.38Å; P84-Y269 HydrophobicContact CB-CD2 4.21Å; P84-Y269 HydrophobicContact CB-CE2 3.85Å; P84-Y269 WeakPolarHBondContact CB-O 3.34Å; P84-Y269 HydrophobicContact CG-CE2 4.15Å; P84-V271 HydrophobicContact CG-CB 4.23Å; P84-V271 HydrophobicContact CG-CG2 3.7Å
85	S	90.9	Very high	93	Very high	78 Å²	78	52 Å²	52	55%	0.545	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-31.9	-177.2	74.9	0	0	0	0	113.5	D83	D83-S85 VanDerWaalsContact CG-OG 3.26Å; D83-S85 PolarHBondContact O-N 2.91Å; D83-S85 WeakPolarHBondContact OD1-CB 3.37Å; D83-S85 PolarHBondContact OD1-N 3.26Å; D83-S85 PolarHBondContact OD1-OG 3.44Å; D83-S85 PolarHBondContact OD2-OG 3.34Å
86	S	93	Very high	93.2	Very high	64 Å²	64	46.9 Å²	46.9	45%	0.448	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-34.6	-179	60	0	0	0	0	113.4	D83 K266	D83-S86 WeakPolarHBondContact CB-OG 3.18Å; D83-S86 PolarHBondContact O-N 2.99Å; S86-K266 WeakPolarHBondContact O-CB 3.34Å
87	D	95.1	Very high	93.3	Very high	59 Å²	59	47.1 Å²	47.1	32%	0.316	29%	0.289	S	S	.	.			trans	-97.3	145.5	-164.4	-56.6	-20.4	0	0	0	111.4	L82 D83 Y269	L82-D87 HydrophobicContact CD1-CB 3.73Å; D83-D87 PolarHBondContact N-OD2 3.09Å; D83-D87 VanDerWaalsContact O-CB 3.26Å; D83-D87 WeakPolarHBondContact O-CB 3.43Å; D83-D87 PolarHBondContact O-N 2.93Å; D87-Y269 VanDerWaalsContact O-CE1 3.25Å; D87-Y269 WeakPolarHBondContact O-CE1 3.33Å; D87-Y269 PolarHBondContact O-OH 2.81Å
88	K	95.9	Very high	93.5	Very high	122 Å²	122	47.7 Å²	47.7	53%	0.53	28%	0.282	S	S	.	.			trans	-96.3	146.3	166.7	63.5	173.7	-174.9	172.8	0	110.1	V90 E263 L264	K88-V90 HydrophobicContact CD-CG2 4.21Å; K88-V90 HydrophobicContact CG-CG2 4.44Å; K88-E263 VanDerWaalsContact CD-OE1 3.24Å; K88-E263 WeakPolarHBondContact CD-OE1 3.43Å; K88-E263 IonicContact NZ-OE1 3.39Å; K88-L264 WeakPolarHBondContact CA-O 3.38Å
89	L	96.8	Very high	93.7	Very high	7 Å²	7	44.4 Å²	44.4	4%	0.037	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	120.7	173.3	-177.9	63.1	0	0	0	109.9	L82 F91 T124 V130 E263 L264 Y293 V295	L82-L89 HydrophobicContact CD2-CB 4.35Å; L82-L89 HydrophobicContact CD2-CD1 4.34Å; L82-L89 HydrophobicContact CD2-CD2 4.2Å; L89-F91 HydrophobicContact CG-CD1 4.44Å; L89-T124 HydrophobicContact CD1-CG2 3.97Å; L89-V130 HydrophobicContact CD2-CG1 3.99Å; L89-V130 HydrophobicContact CD2-CG2 4.46Å; L89-E263 CarbonylContact O-C 3.54Å; L89-E263 WeakPolarHBondContact O-CA 3.28Å; L89-L264 HydrophobicContact CB-CB 4.2Å; L89-L264 HydrophobicContact CB-CD1 4.34Å; L89-L264 HydrophobicContact CB-CG 4.37Å; L89-L264 HydrophobicContact CD2-CD1 4.05Å; L89-L264 PolarHBondContact N-O 2.64Å; L89-L264 PolarHBondContact O-N 3.26Å; L89-Y293 HydrophobicContact CD1-CD2 4.3Å; L89-Y293 HydrophobicContact CD1-CE2 4.43Å; L89-V295 HydrophobicContact CD2-CG1 4.08Å; L89-V295 HydrophobicContact CD2-CG2 4.25Å
90	V	97.5	Very high	93.8	Very high	32 Å²	32	45.5 Å²	45.5	19%	0.194	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123.9	-179.8	-178.1	0	0	0	0	109.5	K88 W261 I262 E263 W311	K88-V90 HydrophobicContact CD-CG2 4.21Å; K88-V90 HydrophobicContact CG-CG2 4.44Å; V90-W261 HydrophobicContact CG1-CE3 3.82Å; V90-W261 HydrophobicContact CG1-CZ3 4.26Å; V90-I262 WeakPolarHBondContact CA-O 3.24Å; V90-E263 HydrophobicContact CG2-CB 4.04Å; V90-E263 HydrophobicContact CG2-CG 3.87Å; V90-W311 HydrophobicContact CG1-CH2 3.98Å; V90-W311 HydrophobicContact CG1-CZ3 3.69Å
91	F	97.7	Very high	93.7	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	152.4	-178.1	71.6	-81.9	0	0	0	112.1	L89 Q93 M120 V123 T124 V130 C132 W261 I262 L264	L89-F91 HydrophobicContact CG-CD1 4.44Å; F91-Q93 HydrophobicContact CE2-CB 4.2Å; F91-M120 HydrophobicContact CE2-CB 4.45Å; F91-M120 HydrophobicContact CZ-CB 4.45Å; F91-V123 CarbonylContact C-O 3.11Å; F91-V123 WeakPolarHBondContact CA-O 3.24Å; F91-T124 HydrophobicContact CB-CG2 4.12Å; F91-V130 HydrophobicContact CB-CB 4.43Å; F91-V130 HydrophobicContact CB-CG2 3.95Å; F91-V130 HydrophobicContact CD1-CG1 4.07Å; F91-V130 HydrophobicContact CD2-CB 4.19Å; F91-V130 HydrophobicContact CD2-CG1 4.32Å; F91-V130 HydrophobicContact CE1-CG1 4.16Å; F91-V130 HydrophobicContact CE2-CG1 4.4Å; F91-V130 HydrophobicContact CG-CB 4.15Å; F91-V130 HydrophobicContact CG-CG1 4.15Å; F91-V130 HydrophobicContact CG-CG2 4.14Å; F91-V130 HydrophobicContact CZ-CG1 4.32Å; F91-C132 HydrophobicContact CE1-CB 4.24Å; F91-C132 HydrophobicContact CZ-CB 3.73Å; F91-W261 VanDerWaalsContact C-CE3 3.41Å; F91-I262 HydrophobicContact CD1-CB 4.38Å; F91-I262 HydrophobicContact CE1-CB 3.92Å; F91-I262 HydrophobicContact CE1-CG2 3.87Å; F91-I262 HydrophobicContact CE2-CB 4.44Å; F91-I262 HydrophobicContact CZ-CB 3.96Å; F91-I262 HydrophobicContact CZ-CG1 4.43Å; F91-I262 HydrophobicContact CZ-CG2 4.03Å; F91-I262 PolarHBondContact N-O 2.84Å; F91-I262 PolarHBondContact O-N 2.92Å; F91-L264 HydrophobicContact CE1-CD1 4.49Å; F91-L264 HydrophobicContact CE1-CD2 4.47Å; F91-L264 HydrophobicContact CE1-CG 4.34Å
92	Q	97.8	Very high	93.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	120.6	172.1	-173.4	177.5	29	0	0	109.6	G122 V123 C259 C260 W261 A315 M540	Q92-G122 CarbonylContact O-C 3.58Å; Q92-G122 WeakPolarHBondContact O-CA 3.09Å; Q92-V123 PolarHBondContact N-O 3.26Å; Q92-V123 PolarHBondContact O-N 2.71Å; Q92-C259 PolarHBondContact NE2-O 3.39Å; Q92-C260 WeakPolarHBondContact CA-O 3.29Å; Q92-W261 HydrophobicContact CB-CD2 3.92Å; Q92-W261 HydrophobicContact CB-CE3 4.07Å; Q92-W261 HydrophobicContact CB-CH2 4.16Å; Q92-W261 HydrophobicContact CB-CZ2 3.99Å; Q92-W261 HydrophobicContact CB-CZ3 4.2Å; Q92-A315 HydrophobicContact CB-CB 3.99Å; Q92-M540 VanDerWaalsContact NE2-CE 3.34Å
93	Q	96.4	Very high	93.3	Very high	3 Å²	3	39.5 Å²	39.5	1%	0.014	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	138.6	176.2	74	88.7	-6.5	0	0	110.6	F91 F121 V257 C259 C260 I262	F91-Q93 HydrophobicContact CE2-CB 4.2Å; Q93-F121 CarbonylContact C-O 3.51Å; Q93-F121 WeakPolarHBondContact CA-O 3.33Å; Q93-V257 PolarHBondContact NE2-O 3.27Å; Q93-C259 VanDerWaalsContact O-CA 3.24Å; Q93-C259 WeakPolarHBondContact O-CA 3.5Å; Q93-C260 PolarHBondContact N-O 3.28Å; Q93-I262 HydrophobicContact CB-CG1 4.29Å; Q93-I262 HydrophobicContact CG-CG1 4.29Å
94	I	94.8	Very high	92.9	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.015	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	-33.6	-179.8	63.6	173.3	0	0	0	112.9	F121 L317 D398	I94-F121 WeakPolarHBondContact CG1-O 3.38Å; I94-F121 PolarHBondContact N-O 2.82Å; I94-L317 HydrophobicContact CG2-CD1 4.45Å; I94-L317 HydrophobicContact CG2-CD2 3.72Å; I94-D398 HydrophobicContact CD1-CB 3.64Å
95	D	95.1	Very high	92.6	Very high	16 Å²	16	38.5 Å²	38.5	9%	0.086	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	144	-177.3	-170.1	32.5	0	0	0	109.3	F121 G460 V462	D95-F121 HydrophobicContact CB-CB 4.43Å; D95-F121 PolarHBondContact N-O 3.33Å; D95-F121 PolarHBondContact O-N 3.37Å; D95-G460 WeakPolarHBondContact OD2-CA 3.47Å; D95-G460 PolarHBondContact OD2-N 2.93Å; D95-V462 HydrophobicContact CB-CG2 4.27Å
96	L	93.9	Very high	92.2	Very high	8 Å²	8	37.9 Å²	37.9	4%	0.042	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	123	-175.3	-173.1	156.3	0	0	0	108.9	I118 R119 M120 E247 F250 M251 V256	L96-I118 HydrophobicContact CD1-CG2 4.44Å; L96-I118 HydrophobicContact CD2-CD1 4.44Å; L96-I118 HydrophobicContact CD2-CG2 4.17Å; L96-I118 HydrophobicContact CG-CG2 4.13Å; L96-R119 WeakPolarHBondContact CA-O 3.31Å; L96-M120 HydrophobicContact CD1-CG 3.96Å; L96-M120 HydrophobicContact CD1-SD 4.23Å; L96-M120 HydrophobicContact CG-CG 4.2Å; L96-E247 HydrophobicContact CD2-CB 3.74Å; L96-E247 HydrophobicContact CD2-CG 3.93Å; L96-F250 HydrophobicContact CD1-CD1 4.04Å; L96-F250 HydrophobicContact CD1-CE1 3.98Å; L96-M251 HydrophobicContact CD1-CG 3.95Å; L96-M251 HydrophobicContact CD1-SD 4.32Å; L96-V256 HydrophobicContact CD1-CG1 4.47Å
97	D	93.6	Very high	92	Very high	26 Å²	26	36.1 Å²	36.1	14%	0.139	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	-176.6	175.3	78.6	11.4	0	0	0	111.6	I118 R119	D97-I118 CarbonylContact O-C 3.58Å; D97-I118 WeakPolarHBondContact O-CA 3.47Å; D97-R119 VanDerWaalsContact CG-NH2 3.29Å; D97-R119 PolarHBondContact N-O 2.7Å; D97-R119 VanDerWaalsContact N-O 3.07Å; D97-R119 PolarHBondContact O-N 3.41Å; D97-R119 WeakPolarHBondContact OD1-CB 3.31Å; D97-R119 IonicContact OD1-CZ 3.55Å; D97-R119 IonicContact OD1-NE 3.59Å; D97-R119 PolarHBondContact OD1-NE 2.93Å; D97-R119 IonicContact OD1-NH2 3.27Å; D97-R119 PolarHBondContact OD1-NH2 3.17Å; D97-R119 VanDerWaalsContact OD1-NH2 3.1Å; D97-R119 IonicContact OD2-CZ 2.62Å; D97-R119 IonicContact OD2-NE 3.6Å; D97-R119 IonicContact OD2-NH2 3.26Å; D97-R119 PolarHBondContact OD2-NH2 3.24Å
98	Y	94.7	Very high	91.7	Very high	84 Å²	84	35.8 Å²	35.8	33%	0.329	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	157.4	168.4	77.7	-80.5	0	0	0	111.6	I117 P213 F246 E247	Y98-I117 VanDerWaalsContact CA-O 3.25Å; Y98-I117 WeakPolarHBondContact CA-O 3.45Å; Y98-I117 WeakPolarHBondContact CB-O 3.21Å; Y98-P213 HydrophobicContact CE2-CG 4.05Å; Y98-F246 AromaticContact CD1-CD1 3.88Å; Y98-F246 HydrophobicContact CD1-CD1 3.88Å; Y98-F246 HydrophobicContact CD2-CD1 4.03Å; Y98-F246 HydrophobicContact CD2-CE1 4.27Å; Y98-F246 HydrophobicContact CE1-CD1 4.35Å; Y98-F246 HydrophobicContact CE2-CD1 4.49Å; Y98-F246 AromaticContact CG-CD1 3.7Å; Y98-F246 HydrophobicContact CG-CD1 3.7Å; Y98-F246 HydrophobicContact CG-CE1 4.1Å; Y98-E247 HydrophobicContact CD1-CG 4.1Å; Y98-E247 VanDerWaalsContact CD1-OE1 3.25Å; Y98-E247 WeakPolarHBondContact CD1-OE1 3.46Å; Y98-E247 VanDerWaalsContact CE1-OE1 3.29Å; Y98-E247 WeakPolarHBondContact CE1-OE1 3.42Å
99	Y	93.6	Very high	91.2	Very high	53 Å²	53	32.7 Å²	32.7	21%	0.208	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	167.2	171	74.7	-74.8	0	0	0	110.7	P116 I117 R119 H133	Y99-P116 WeakPolarHBondContact O-CA 3.09Å; Y99-I117 HydrophobicContact CD1-CB 4.18Å; Y99-I117 HydrophobicContact CD1-CG2 4.48Å; Y99-I117 HydrophobicContact CE1-CB 3.68Å; Y99-I117 HydrophobicContact CE1-CD1 4.47Å; Y99-I117 HydrophobicContact CE1-CG2 3.65Å; Y99-I117 HydrophobicContact CE2-CD1 4.31Å; Y99-I117 PolarHBondContact N-O 2.89Å; Y99-I117 PolarHBondContact O-N 2.78Å; Y99-R119 HydrophobicContact CD1-CG 3.59Å; Y99-R119 VanDerWaalsContact CE1-CD 3.44Å; Y99-R119 HydrophobicContact CE1-CG 3.48Å; Y99-R119 VanDerWaalsContact CE1-CG 3.48Å; Y99-H133 AromaticContact CE1-ND1 3.63Å; Y99-H133 AromaticContact CZ-ND1 3.9Å; Y99-H133 PolarHBondContact OH-ND1 2.86Å
100	L	91.1	Very high	90.5	Very high	57 Å²	57	34.2 Å²	34.2	30%	0.298	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	112.5	172.8	-59.8	-179.3	0	0	0	108.9	K114 V115 P116 M212	L100-K114 HydrophobicContact CB-CB 4.39Å; L100-K114 HydrophobicContact CB-CD 4.32Å; L100-V115 WeakPolarHBondContact CA-O 3.28Å; L100-P116 HydrophobicContact CD2-CB 4.18Å; L100-M212 HydrophobicContact CD1-SD 4.17Å
101	G	87.6	Confident	89.5	Confident	10 Å²	10	37.3 Å²	37.3	10%	0.103	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	174.9	-179.3	0	0	0	0	0	112.7	K114 V115	G101-K114 CarbonylContact O-C 3.54Å; G101-K114 VanDerWaalsContact O-CA 3.24Å; G101-K114 WeakPolarHBondContact O-CA 3.4Å; G101-V115 PolarHBondContact N-O 3.16Å; G101-V115 PolarHBondContact O-N 2.89Å
102	G	86	Confident	88.4	Confident	48 Å²	48	42.6 Å²	42.6	50%	0.495	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	152.4	171.6	0	0	0	0	0	111.6
103	S	84.8	Confident	87.5	Confident	52 Å²	52	45 Å²	45	36%	0.364	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-65.1	138.5	173.7	60.8	0	0	0	0	111.5	Q110 S111	S103-Q110 WeakPolarHBondContact CB-O 3.33Å; S103-S111 PolarHBondContact OG-O 3.3Å
104	V	85.3	Confident	87	Confident	18 Å²	18	49.2 Å²	49.2	11%	0.109	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-98.5	128.9	178.8	-175.7	0	0	0	0	110	G106 M107 H135 L285	V104-G106 PolarHBondContact O-N 3.23Å; V104-M107 HydrophobicContact CB-CB 4.07Å; V104-M107 HydrophobicContact CB-CG 3.86Å; V104-M107 HydrophobicContact CG1-CG 3.92Å; V104-M107 WeakPolarHBondContact O-CB 3.11Å; V104-M107 PolarHBondContact O-N 3.41Å; V104-M107 VanDerWaalsContact O-N 3.07Å; V104-H135 VanDerWaalsContact CG2-CE1 3.49Å; V104-H135 WeakPolarHBondContact CG2-CE1 3.42Å; V104-L285 HydrophobicContact CG2-CD1 3.51Å; V104-L285 HydrophobicContact CG2-CG 4.46Å
105	A	83	Confident	86.8	Confident	68 Å²	68	49.9 Å²	49.9	56%	0.562	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	128.2	-178.7	0	0	0	0	0	111.5	M107 R270	A105-M107 VanDerWaalsContact C-N 3.29Å; A105-M107 PolarHBondContact O-N 2.8Å; A105-R270 PolarHBondContact O-NH1 2.95Å
106	G	82.4	Confident	86.7	Confident	66 Å²	66	49.7 Å²	49.7	68%	0.68	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	4.4	-177.7	0	0	0	0	0	115.5	V104	V104-G106 PolarHBondContact O-N 3.23Å
107	M	88.6	Confident	86.8	Confident	27 Å²	27	49.3 Å²	49.3	13%	0.133	33%	0.325	C	S	.	.	S	Bend	trans	-95	150.6	165.6	-70.3	-69	163	0	0	110.3	V104 A105 H135 R270 D296	V104-M107 HydrophobicContact CB-CB 4.07Å; V104-M107 HydrophobicContact CB-CG 3.86Å; V104-M107 HydrophobicContact CG1-CG 3.92Å; V104-M107 WeakPolarHBondContact O-CB 3.11Å; V104-M107 PolarHBondContact O-N 3.41Å; V104-M107 VanDerWaalsContact O-N 3.07Å; A105-M107 VanDerWaalsContact C-N 3.29Å; A105-M107 PolarHBondContact O-N 2.8Å; M107-H135 HydrophobicContact CB-CB 3.79Å; M107-H135 HydrophobicContact CG-CB 4.3Å; M107-R270 HydrophobicContact CE-CB 4.28Å; M107-R270 HydrophobicContact CE-CG 3.88Å; M107-D296 HydrophobicContact CE-CB 3.57Å; M107-D296 HydrophobicContact SD-CB 4.4Å
108	P	89.3	Confident	86.9	Confident	52 Å²	52	48.1 Å²	48.1	34%	0.338	32%	0.318	S	S	.	.	S	Bend	trans	-68.3	157	-179.8	27.9	-34.3	0	0	0	112	G136	P108-G136 WeakPolarHBondContact O-CA 3.38Å; P108-G136 PolarHBondContact O-N 3.41Å; P108-G136 VanDerWaalsContact O-N 3.17Å
109	G	86.1	Confident	87	Confident	56 Å²	56	44.6 Å²	44.6	58%	0.577	31%	0.305	S	S	*	.	S	Bend	trans	117	-169.1	176.2	0	0	0	0	0	114.1
110	Q	81.4	Confident	87.2	Confident	39 Å²	39	42.1 Å²	42.1	18%	0.182	30%	0.295	C	S	.	.			trans	-71.3	136.8	178	-174.5	-178.3	2.4	0	0	110.6	S103 Q112 V115 L182	S103-Q110 WeakPolarHBondContact CB-O 3.33Å; Q110-Q112 PolarHBondContact NE2-O 2.93Å; Q110-V115 HydrophobicContact CB-CG1 3.89Å; Q110-V115 WeakPolarHBondContact O-CG1 3.45Å; Q110-L182 HydrophobicContact CG-CD2 4.45Å
111	S	76.8	Confident	87.5	Confident	97 Å²	97	39.4 Å²	39.4	68%	0.678	28%	0.28	S	S	*	.			trans	-95	1.6	-178.4	54.8	0	0	0	0	114.5	S103	S103-S111 PolarHBondContact OG-O 3.3Å
112	Q	74.6	Confident	87.9	Confident	111 Å²	111	38.9 Å²	38.9	52%	0.519	28%	0.275	S	S	.	.	S	Bend	trans	-124.1	135.3	-175.9	-66.9	-174.2	1	0	0	111.2	Q110	Q110-Q112 PolarHBondContact NE2-O 2.93Å
113	G	78.1	Confident	88.5	Confident	51 Å²	51	36.6 Å²	36.6	53%	0.526	25%	0.252	S	S	.	.	S	Bend	trans	73.5	-163.3	176.2	0	0	0	0	0	113.6
114	K	86.4	Confident	89.1	Confident	92 Å²	92	34.6 Å²	34.6	40%	0.4	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	136.5	173.8	-66.7	-176	-172.9	168.2	0	110.6	L100 G101 D175 M212	L100-K114 HydrophobicContact CB-CB 4.39Å; L100-K114 HydrophobicContact CB-CD 4.32Å; G101-K114 CarbonylContact O-C 3.54Å; G101-K114 VanDerWaalsContact O-CA 3.24Å; G101-K114 WeakPolarHBondContact O-CA 3.4Å; K114-D175 IonicContact NZ-OD1 3.93Å; K114-D175 PolarHBondContact NZ-OD1 3.19Å; K114-M212 HydrophobicContact CB-CE 4.47Å
115	V	89.9	Confident	89.4	Confident	17 Å²	17	37.9 Å²	37.9	10%	0.103	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	149.2	178	-63.7	0	0	0	0	110.9	L100 G101 Q110 I117	L100-V115 WeakPolarHBondContact CA-O 3.28Å; G101-V115 PolarHBondContact N-O 3.16Å; G101-V115 PolarHBondContact O-N 2.89Å; Q110-V115 HydrophobicContact CB-CG1 3.89Å; Q110-V115 WeakPolarHBondContact O-CG1 3.45Å; V115-I117 HydrophobicContact CG2-CD1 4.31Å; V115-I117 HydrophobicContact CG2-CG1 4.09Å
116	P	93.8	Very high	89.8	Confident	11 Å²	11	38.3 Å²	38.3	7%	0.071	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	127.9	171	29.4	-32.7	0	0	0	110.2	Y99 L100 A211 F246	Y99-P116 WeakPolarHBondContact O-CA 3.09Å; L100-P116 HydrophobicContact CD2-CB 4.18Å; P116-A211 WeakPolarHBondContact CD-O 3.4Å; P116-F246 HydrophobicContact CB-CE1 3.88Å; P116-F246 HydrophobicContact CB-CZ 3.89Å; P116-F246 HydrophobicContact CG-CZ 4.15Å
117	I	95.3	Very high	90.3	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.5	177	-60.2	168.6	0	0	0	107.2	Y98 Y99 V115 H133	Y98-I117 VanDerWaalsContact CA-O 3.25Å; Y98-I117 WeakPolarHBondContact CA-O 3.45Å; Y98-I117 WeakPolarHBondContact CB-O 3.21Å; Y99-I117 HydrophobicContact CD1-CB 4.18Å; Y99-I117 HydrophobicContact CD1-CG2 4.48Å; Y99-I117 HydrophobicContact CE1-CB 3.68Å; Y99-I117 HydrophobicContact CE1-CD1 4.47Å; Y99-I117 HydrophobicContact CE1-CG2 3.65Å; Y99-I117 HydrophobicContact CE2-CD1 4.31Å; Y99-I117 PolarHBondContact N-O 2.89Å; Y99-I117 PolarHBondContact O-N 2.78Å; V115-I117 HydrophobicContact CG2-CD1 4.31Å; V115-I117 HydrophobicContact CG2-CG1 4.09Å; I117-H133 HydrophobicContact CG2-CB 4.08Å
118	I	96.8	Very high	90.7	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	138.5	175.4	-64.9	-81.3	0	0	0	108	L96 D97 M120 V134 F246 F250	L96-I118 HydrophobicContact CD1-CG2 4.44Å; L96-I118 HydrophobicContact CD2-CD1 4.44Å; L96-I118 HydrophobicContact CD2-CG2 4.17Å; L96-I118 HydrophobicContact CG-CG2 4.13Å; D97-I118 CarbonylContact O-C 3.58Å; D97-I118 WeakPolarHBondContact O-CA 3.47Å; I118-M120 HydrophobicContact CG2-CG 4.3Å; I118-V134 HydrophobicContact CB-CB 4.12Å; I118-V134 HydrophobicContact CG2-CB 4.47Å; I118-V134 PolarHBondContact N-O 2.9Å; I118-V134 VanDerWaalsContact N-O 3.16Å; I118-V134 PolarHBondContact O-N 3.45Å; I118-F246 HydrophobicContact CD1-CD1 3.96Å; I118-F246 HydrophobicContact CD1-CE1 3.68Å; I118-F246 HydrophobicContact CD1-CZ 4.47Å; I118-F246 HydrophobicContact CG1-CE1 4.1Å; I118-F250 HydrophobicContact CD1-CB 4.02Å; I118-F250 HydrophobicContact CD1-CD1 4.25Å; I118-F250 HydrophobicContact CD1-CG 4.01Å; I118-F250 HydrophobicContact CG1-CB 4.39Å; I118-F250 HydrophobicContact CG1-CD1 4.31Å; I118-F250 HydrophobicContact CG1-CD2 4.02Å; I118-F250 HydrophobicContact CG1-CE2 4.39Å; I118-F250 HydrophobicContact CG1-CG 3.96Å; I118-F250 HydrophobicContact CG2-CD1 3.99Å; I118-F250 HydrophobicContact CG2-CE1 3.8Å; I118-F250 HydrophobicContact CG2-CG 4.48Å; I118-F250 HydrophobicContact CG2-CZ 4.12Å
119	R	95.6	Very high	91.1	Very high	10 Å²	10	32 Å²	32	4%	0.038	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130.1	170.7	-60.7	177.3	-67.1	-166.3	2.9	109.7	L96 D97 Y99 F121 C132	L96-R119 WeakPolarHBondContact CA-O 3.31Å; D97-R119 VanDerWaalsContact CG-NH2 3.29Å; D97-R119 PolarHBondContact N-O 2.7Å; D97-R119 VanDerWaalsContact N-O 3.07Å; D97-R119 PolarHBondContact O-N 3.41Å; D97-R119 WeakPolarHBondContact OD1-CB 3.31Å; D97-R119 IonicContact OD1-CZ 3.55Å; D97-R119 IonicContact OD1-NE 3.59Å; D97-R119 PolarHBondContact OD1-NE 2.93Å; D97-R119 IonicContact OD1-NH2 3.27Å; D97-R119 PolarHBondContact OD1-NH2 3.17Å; D97-R119 VanDerWaalsContact OD1-NH2 3.1Å; D97-R119 IonicContact OD2-CZ 2.62Å; D97-R119 IonicContact OD2-NE 3.6Å; D97-R119 IonicContact OD2-NH2 3.26Å; D97-R119 PolarHBondContact OD2-NH2 3.24Å; Y99-R119 HydrophobicContact CD1-CG 3.59Å; Y99-R119 VanDerWaalsContact CE1-CD 3.44Å; Y99-R119 HydrophobicContact CE1-CG 3.48Å; Y99-R119 VanDerWaalsContact CE1-CG 3.48Å; R119-F121 HydrophobicContact CB-CE2 4.01Å; R119-F121 HydrophobicContact CB-CZ 4.36Å; R119-C132 WeakPolarHBondContact CA-O 3.19Å
120	M	97.5	Very high	91.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	120.6	171.5	-62.7	-173	-69.2	0	0	108.5	F91 L96 I118 C132 V134 F250 I262	F91-M120 HydrophobicContact CE2-CB 4.45Å; F91-M120 HydrophobicContact CZ-CB 4.45Å; L96-M120 HydrophobicContact CD1-CG 3.96Å; L96-M120 HydrophobicContact CD1-SD 4.23Å; L96-M120 HydrophobicContact CG-CG 4.2Å; I118-M120 HydrophobicContact CG2-CG 4.3Å; M120-C132 HydrophobicContact CB-CB 4.34Å; M120-C132 PolarHBondContact N-O 2.79Å; M120-C132 PolarHBondContact O-N 3.08Å; M120-V134 HydrophobicContact CE-CG2 3.33Å; M120-F250 HydrophobicContact SD-CE1 4.26Å; M120-I262 HydrophobicContact CE-CG2 4.31Å; M120-I262 HydrophobicContact SD-CG1 4.46Å
121	F	98.1	Very high	92.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	141.2	172.1	-62.1	-85.6	0	0	0	109.1	Q93 I94 D95 R119 V130 C131 R430 M431 E459	Q93-F121 CarbonylContact C-O 3.51Å; Q93-F121 WeakPolarHBondContact CA-O 3.33Å; I94-F121 WeakPolarHBondContact CG1-O 3.38Å; I94-F121 PolarHBondContact N-O 2.82Å; D95-F121 HydrophobicContact CB-CB 4.43Å; D95-F121 PolarHBondContact N-O 3.33Å; D95-F121 PolarHBondContact O-N 3.37Å; R119-F121 HydrophobicContact CB-CE2 4.01Å; R119-F121 HydrophobicContact CB-CZ 4.36Å; F121-V130 WeakPolarHBondContact CA-O 3.48Å; F121-C131 HydrophobicContact CD1-CB 4.19Å; F121-C131 HydrophobicContact CE1-CB 4.1Å; F121-C131 VanDerWaalsContact CE1-SG 3.53Å; F121-R430 HydrophobicContact CD1-CB 4.45Å; F121-R430 HydrophobicContact CE1-CB 4.11Å; F121-M431 HydrophobicContact CE1-SD 4.19Å; F121-M431 HydrophobicContact CZ-CG 4.31Å; F121-M431 HydrophobicContact CZ-SD 3.9Å; F121-E459 HydrophobicContact CE2-CB 4.44Å; F121-E459 HydrophobicContact CZ-CB 4.4Å
122	G	97.2	Very high	93.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.8	-172.8	-179	0	0	0	0	0	114.3	Q92 V130	Q92-G122 CarbonylContact O-C 3.58Å; Q92-G122 WeakPolarHBondContact O-CA 3.09Å; G122-V130 PolarHBondContact N-O 2.84Å; G122-V130 PolarHBondContact O-N 3.02Å
123	V	97.6	Very high	94.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	134.1	-173.2	-168.9	0	0	0	0	109.7	F91 Q92 N128 A315 L317 D398	F91-V123 CarbonylContact C-O 3.11Å; F91-V123 WeakPolarHBondContact CA-O 3.24Å; Q92-V123 PolarHBondContact N-O 3.26Å; Q92-V123 PolarHBondContact O-N 2.71Å; V123-N128 WeakPolarHBondContact CA-O 3.48Å; V123-A315 HydrophobicContact CB-CB 4.26Å; V123-L317 HydrophobicContact CB-CD2 4.32Å; V123-L317 HydrophobicContact CG2-CD2 3.9Å; V123-D398 WeakPolarHBondContact CG2-OD1 3.32Å
124	T	96.6	Very high	95.3	Very high	9 Å²	9	15.2 Å²	15.2	6%	0.055	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	167.2	172.4	58.3	0	0	0	0	111.5	L89 F91 S126 G127 N128 V130 Y293	L89-T124 HydrophobicContact CD1-CG2 3.97Å; F91-T124 HydrophobicContact CB-CG2 4.12Å; T124-S126 PolarHBondContact O-N 2.97Å; T124-S126 PolarHBondContact OG1-OG 3.26Å; T124-G127 PolarHBondContact O-N 3.07Å; T124-N128 HydrophobicContact CG2-CB 4.39Å; T124-N128 PolarHBondContact N-O 3.04Å; T124-N128 WeakPolarHBondContact OG1-CA 3.33Å; T124-N128 VanDerWaalsContact OG1-CB 3.29Å; T124-N128 WeakPolarHBondContact OG1-CB 3.32Å; T124-N128 PolarHBondContact OG1-N 2.8Å; T124-N128 PolarHBondContact OG1-O 3.46Å; T124-V130 HydrophobicContact CG2-CG2 3.77Å; T124-Y293 HydrophobicContact CG2-CE2 4.47Å
125	D	92.5	Very high	95.8	Very high	88 Å²	88	11 Å²	11	47%	0.471	7%	0.067	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-29.1	177.1	-151	41.8	0	0	0	112.9	G127 W261 K313	D125-G127 VanDerWaalsContact C-N 3.3Å; D125-G127 PolarHBondContact O-N 3.31Å; D125-W261 HydrophobicContact CB-CH2 4.07Å; D125-W261 HydrophobicContact CB-CZ3 4.42Å; D125-K313 WeakPolarHBondContact OD1-CE 3.42Å; D125-K313 IonicContact OD1-NZ 3.92Å; D125-K313 PolarHBondContact OD1-NZ 3.1Å; D125-K313 IonicContact OD2-NZ 3.74Å; D125-K313 PolarHBondContact OD2-NZ 2.83Å
126	S	91.6	Very high	95.9	Very high	77 Å²	77	11.3 Å²	11.3	54%	0.538	7%	0.074	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	2.8	176.1	59.4	0	0	0	0	114	T124 N128	T124-S126 PolarHBondContact O-N 2.97Å; T124-S126 PolarHBondContact OG1-OG 3.26Å; S126-N128 PolarHBondContact OG-ND2 3.19Å
127	G	93.4	Very high	96	Very high	7 Å²	7	11.2 Å²	11.2	7%	0.072	7%	0.072	C	C	.	.	S	Bend	trans	86.2	11.1	177.6	0	0	0	0	0	115.8	R76 T124 D125	R76-G127 WeakPolarHBondContact CD-O 3.35Å; R76-G127 PolarHBondContact NH1-O 3.42Å; T124-G127 PolarHBondContact O-N 3.07Å; D125-G127 VanDerWaalsContact C-N 3.3Å; D125-G127 PolarHBondContact O-N 3.31Å
128	N	95.8	Very high	96	Very high	5 Å²	5	12.3 Å²	12.3	3%	0.027	8%	0.081	C	C	.	.			trans	-81.1	135	176.4	-58.3	-54.8	0	0	0	111.8	P77 A79 V123 T124 S126 Q292 Y293	P77-N128 PolarHBondContact O-OD1 2.81Å; A79-N128 HydrophobicContact CB-CB 4.35Å; V123-N128 WeakPolarHBondContact CA-O 3.48Å; T124-N128 HydrophobicContact CG2-CB 4.39Å; T124-N128 PolarHBondContact N-O 3.04Å; T124-N128 WeakPolarHBondContact OG1-CA 3.33Å; T124-N128 VanDerWaalsContact OG1-CB 3.29Å; T124-N128 WeakPolarHBondContact OG1-CB 3.32Å; T124-N128 PolarHBondContact OG1-N 2.8Å; T124-N128 PolarHBondContact OG1-O 3.46Å; S126-N128 PolarHBondContact OG-ND2 3.19Å; N128-Q292 PolarHBondContact OD1-OE1 2.86Å; N128-Y293 HydrophobicContact CB-CD2 4.14Å; N128-Y293 HydrophobicContact CB-CE2 3.75Å
129	S	97.3	Very high	95.9	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.007	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	139.1	-179.5	58.1	0	0	0	0	113.1	Q292 Y293 D396	S129-Q292 VanDerWaalsContact N-OE1 3.12Å; S129-Q292 PolarHBondContact O-N 2.85Å; S129-Q292 VanDerWaalsContact O-N 3.15Å; S129-Q292 PolarHBondContact OG-N 3.03Å; S129-Y293 PolarHBondContact O-N 3.41Å; S129-D396 WeakPolarHBondContact CB-OD2 3.2Å; S129-D396 PolarHBondContact OG-OD2 2.9Å
130	V	97.8	Very high	95.9	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	132.4	-174.3	-176.7	0	0	0	0	110.3	L89 F91 F121 G122 T124 C132 Y293 V295	L89-V130 HydrophobicContact CD2-CG1 3.99Å; L89-V130 HydrophobicContact CD2-CG2 4.46Å; F91-V130 HydrophobicContact CB-CB 4.43Å; F91-V130 HydrophobicContact CB-CG2 3.95Å; F91-V130 HydrophobicContact CD1-CG1 4.07Å; F91-V130 HydrophobicContact CD2-CB 4.19Å; F91-V130 HydrophobicContact CD2-CG1 4.32Å; F91-V130 HydrophobicContact CE1-CG1 4.16Å; F91-V130 HydrophobicContact CE2-CG1 4.4Å; F91-V130 HydrophobicContact CG-CB 4.15Å; F91-V130 HydrophobicContact CG-CG1 4.15Å; F91-V130 HydrophobicContact CG-CG2 4.14Å; F91-V130 HydrophobicContact CZ-CG1 4.32Å; F121-V130 WeakPolarHBondContact CA-O 3.48Å; G122-V130 PolarHBondContact N-O 2.84Å; G122-V130 PolarHBondContact O-N 3.02Å; T124-V130 HydrophobicContact CG2-CG2 3.77Å; V130-C132 HydrophobicContact CG1-CB 4.46Å; V130-Y293 WeakPolarHBondContact CA-O 3.46Å; V130-Y293 HydrophobicContact CG2-CD2 4.04Å; V130-V295 HydrophobicContact CG1-CG2 4.48Å
131	C	97.6	Very high	95.9	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	111.7	163.5	-175.8	0	0	0	0	109.1	F121 C291 Y293 E294 V295	F121-C131 HydrophobicContact CD1-CB 4.19Å; F121-C131 HydrophobicContact CE1-CB 4.1Å; F121-C131 VanDerWaalsContact CE1-SG 3.53Å; C131-C291 HydrophobicContact CB-CB 3.98Å; C131-Y293 PolarHBondContact N-O 2.94Å; C131-E294 HydrophobicContact CB-CG 4.23Å; C131-E294 CarbonylContact O-C 3.6Å; C131-E294 VanDerWaalsContact O-CA 3.32Å; C131-E294 WeakPolarHBondContact O-CA 3.32Å; C131-V295 PolarHBondContact O-N 3.11Å
132	C	97.4	Very high	95.6	Very high	0 Å²	0	13 Å²	13	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	115.9	-179.5	-179.1	0	0	0	0	110.2	F91 R119 M120 V130 V295 V297	F91-C132 HydrophobicContact CE1-CB 4.24Å; F91-C132 HydrophobicContact CZ-CB 3.73Å; R119-C132 WeakPolarHBondContact CA-O 3.19Å; M120-C132 HydrophobicContact CB-CB 4.34Å; M120-C132 PolarHBondContact N-O 2.79Å; M120-C132 PolarHBondContact O-N 3.08Å; V130-C132 HydrophobicContact CG1-CB 4.46Å; C132-V295 HydrophobicContact CB-CG2 3.88Å; C132-V297 VanDerWaalsContact SG-CG1 3.56Å
133	H	96.9	Very high	95.4	Very high	0 Å²	0	13 Å²	13	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	120.5	174.1	-60.4	-89.5	0	0	0	109.6	Y99 I117 H135 R272 E294 V295 D296 V297	Y99-H133 AromaticContact CE1-ND1 3.63Å; Y99-H133 AromaticContact CZ-ND1 3.9Å; Y99-H133 PolarHBondContact OH-ND1 2.86Å; I117-H133 HydrophobicContact CG2-CB 4.08Å; H133-H135 PolarHBondContact O-CD2 3.5Å; H133-R272 PolarHBondContact NE2-NH1 3.3Å; H133-E294 IonicContact CD2-OE1 2.68Å; H133-E294 IonicContact CE1-OE1 3.41Å; H133-E294 IonicContact NE2-OE1 3.15Å; H133-E294 PolarHBondContact NE2-OE1 3.15Å; H133-V295 PolarHBondContact N-O 2.88Å; H133-D296 WeakPolarHBondContact CB-OD1 3.41Å; H133-D296 IonicContact CG-OD1 3.51Å; H133-D296 WeakPolarHBondContact O-CA 3.25Å; H133-V297 PolarHBondContact O-N 3.47Å
134	V	96.9	Very high	95.1	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.006	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	120	-177.5	-172.4	0	0	0	0	109.9	I118 M120 F250 V297 W299 F302	I118-V134 HydrophobicContact CB-CB 4.12Å; I118-V134 HydrophobicContact CG2-CB 4.47Å; I118-V134 PolarHBondContact N-O 2.9Å; I118-V134 VanDerWaalsContact N-O 3.16Å; I118-V134 PolarHBondContact O-N 3.45Å; M120-V134 HydrophobicContact CE-CG2 3.33Å; V134-F250 HydrophobicContact CB-CZ 4.46Å; V134-F250 HydrophobicContact CG1-CE2 3.93Å; V134-F250 HydrophobicContact CG1-CZ 4.04Å; V134-F250 HydrophobicContact CG2-CZ 4.44Å; V134-V297 WeakPolarHBondContact CA-O 3.44Å; V134-V297 HydrophobicContact CG2-CG1 4.01Å; V134-W299 VanDerWaalsContact CG1-CA 3.4Å; V134-W299 HydrophobicContact CG1-CB 3.57Å; V134-F302 HydrophobicContact CG1-CD1 4.33Å; V134-F302 HydrophobicContact CG1-CE1 3.95Å
135	H	95.6	Very high	94.7	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.019	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	154	-171.5	-61	-85.9	0	0	0	112.8	V104 M107 H133 D296 V297 W299	V104-H135 VanDerWaalsContact CG2-CE1 3.49Å; V104-H135 WeakPolarHBondContact CG2-CE1 3.42Å; M107-H135 HydrophobicContact CB-CB 3.79Å; M107-H135 HydrophobicContact CG-CB 4.3Å; H133-H135 PolarHBondContact O-CD2 3.5Å; H135-D296 IonicContact CD2-OD1 4Å; H135-D296 IonicContact CE1-OD1 2.86Å; H135-D296 IonicContact NE2-OD1 3.7Å; H135-D296 PolarHBondContact NE2-OD1 3.42Å; H135-V297 PolarHBondContact N-O 2.91Å; H135-W299 WeakPolarHBondContact O-CB 3.45Å; H135-W299 PolarHBondContact O-N 3.44Å
136	G	93.6	Very high	94.4	Very high	23 Å²	23	11.4 Å²	11.4	24%	0.237	8%	0.081	C	C	.	.			trans	88.3	3.8	168.7	0	0	0	0	0	116.3	P108 W299	P108-G136 WeakPolarHBondContact O-CA 3.38Å; P108-G136 PolarHBondContact O-N 3.41Å; P108-G136 VanDerWaalsContact O-N 3.17Å; G136-W299 PolarHBondContact O-NE1 3.27Å
137	F	95.6	Very high	93.6	Very high	9 Å²	9	14.7 Å²	14.7	4%	0.039	9%	0.092	C	C	.	.			trans	-87	123.4	174.6	-166	-107.6	0	0	0	111.2	F246 R249 F250 D253 W299	F137-F246 HydrophobicContact CD1-CD2 4.34Å; F137-F246 AromaticContact CD1-CE2 3.44Å; F137-F246 HydrophobicContact CD1-CE2 3.44Å; F137-F246 VanDerWaalsContact CD1-CE2 3.44Å; F137-F246 AromaticContact CD1-CZ 3.57Å; F137-F246 HydrophobicContact CD1-CZ 3.57Å; F137-F246 HydrophobicContact CE1-CD2 4.21Å; F137-F246 AromaticContact CE1-CE2 3.68Å; F137-F246 HydrophobicContact CE1-CE2 3.68Å; F137-F246 HydrophobicContact CE1-CZ 4.25Å; F137-R249 HydrophobicContact CE1-CG 4.07Å; F137-R249 HydrophobicContact CZ-CG 3.87Å; F137-F250 HydrophobicContact CB-CD2 4.19Å; F137-F250 HydrophobicContact CD1-CB 3.84Å; F137-F250 AromaticContact CD1-CD2 3.85Å; F137-F250 HydrophobicContact CD1-CD2 3.85Å; F137-F250 HydrophobicContact CD1-CG 4.32Å; F137-F250 HydrophobicContact CD2-CD2 4.09Å; F137-F250 VanDerWaalsContact CE1-CA 3.47Å; F137-F250 HydrophobicContact CE1-CB 3.6Å; F137-F250 HydrophobicContact CE1-CD2 4.25Å; F137-F250 HydrophobicContact CE1-CG 4.45Å; F137-F250 HydrophobicContact CE2-CD2 4.46Å; F137-F250 AromaticContact CG-CD2 3.77Å; F137-F250 HydrophobicContact CG-CD2 3.77Å; F137-F250 HydrophobicContact CZ-CB 4.15Å; F137-D253 HydrophobicContact CE2-CB 4Å; F137-D253 WeakPolarHBondContact CE2-OD2 3.46Å; F137-D253 HydrophobicContact CZ-CB 4.16Å; F137-D253 WeakPolarHBondContact CZ-OD2 3.26Å; F137-W299 HydrophobicContact CB-CB 4.22Å; F137-W299 HydrophobicContact CB-CG 4.2Å; F137-W299 AromaticContact CD2-CD2 3.85Å; F137-W299 HydrophobicContact CD2-CD2 3.85Å; F137-W299 AromaticContact CD2-CE3 3.75Å; F137-W299 HydrophobicContact CD2-CE3 3.75Å; F137-W299 HydrophobicContact CD2-CG 4.32Å; F137-W299 HydrophobicContact CD2-CZ3 4.13Å; F137-W299 HydrophobicContact CE2-CE3 4.21Å; F137-W299 HydrophobicContact CE2-CZ3 4.18Å
138	A	94.4	Very high	92.5	Very high	23 Å²	23	18 Å²	18	19%	0.19	13%	0.126	C	C	.	.			trans	-117	141.1	-178.2	0	0	0	0	0	111.7	L182 T209	A138-L182 HydrophobicContact CB-CD1 3.89Å; A138-T209 HydrophobicContact CB-CG2 3.55Å
139	P	95.6	Very high	91.4	Very high	4 Å²	4	20.5 Å²	20.5	3%	0.026	15%	0.153	C	C	.	.			trans	-68.2	141.6	178.5	26.5	-33.3	0	0	0	111.3	M210 M212 P213 I216 F246	P139-M210 VanDerWaalsContact CD-O 3.29Å; P139-M210 WeakPolarHBondContact CD-O 3.45Å; P139-M210 HydrophobicContact CG-CB 4.27Å; P139-M210 WeakPolarHBondContact CG-O 3.42Å; P139-M210 PolarHBondContact O-N 3.49Å; P139-M212 VanDerWaalsContact CG-C 3.47Å; P139-P213 HydrophobicContact CB-CB 4.43Å; P139-P213 HydrophobicContact CB-CG 4.26Å; P139-P213 HydrophobicContact CG-CB 4.48Å; P139-P213 HydrophobicContact CG-CG 4.03Å; P139-I216 HydrophobicContact CB-CD1 4.01Å; P139-F246 HydrophobicContact CB-CD2 3.85Å; P139-F246 HydrophobicContact CB-CE2 3.95Å; P139-F246 HydrophobicContact CG-CE2 4.32Å
140	Y	95.9	Very high	90.6	Very high	8 Å²	8	21.5 Å²	21.5	3%	0.031	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	162.4	176.6	66.2	-92.9	0	0	0	112.3	Y142 R207 I208 R249 D253	Y140-Y142 HydrophobicContact CD2-CE2 4.04Å; Y140-Y142 AromaticContact CD2-CZ 3.97Å; Y140-Y142 HydrophobicContact CE2-CE1 4.47Å; Y140-Y142 AromaticContact CE2-CE2 3.6Å; Y140-Y142 HydrophobicContact CE2-CE2 3.6Å; Y140-Y142 AromaticContact CE2-CZ 3.53Å; Y140-Y142 VanDerWaalsContact CE2-OH 3.28Å; Y140-Y142 WeakPolarHBondContact CE2-OH 3.3Å; Y140-R207 VanDerWaalsContact CD1-NH2 3.29Å; Y140-R207 HydrophobicContact CD2-CG 3.97Å; Y140-R207 HydrophobicContact CG-CG 4.28Å; Y140-I208 WeakPolarHBondContact CA-O 3.37Å; Y140-I208 VanDerWaalsContact CB-O 3.3Å; Y140-I208 WeakPolarHBondContact CB-O 3.48Å; Y140-R249 HydrophobicContact CE1-CG 4.22Å; Y140-R249 WeakPolarHBondContact OH-CD 3.25Å; Y140-D253 WeakPolarHBondContact CE1-OD2 3.38Å; Y140-D253 VanDerWaalsContact OH-CG 3.3Å; Y140-D253 PolarHBondContact OH-OD1 3.35Å; Y140-D253 VanDerWaalsContact OH-OD1 3.06Å; Y140-D253 PolarHBondContact OH-OD2 2.95Å
141	F	95.7	Very high	90	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	173.3	171.6	69.1	-79	0	0	0	109.9	V143 I208 M210 I216 A219 L223 A239 A242	F141-V143 HydrophobicContact CD2-CG1 4.31Å; F141-V143 HydrophobicContact CE2-CG1 3.89Å; F141-I208 HydrophobicContact CD1-CB 4.37Å; F141-I208 HydrophobicContact CE1-CB 3.96Å; F141-I208 HydrophobicContact CE1-CG2 3.89Å; F141-I208 HydrophobicContact CE2-CD1 3.98Å; F141-I208 HydrophobicContact CZ-CB 4.08Å; F141-I208 HydrophobicContact CZ-CD1 3.82Å; F141-I208 HydrophobicContact CZ-CG2 4.13Å; F141-I208 PolarHBondContact N-O 2.94Å; F141-I208 VanDerWaalsContact N-O 3.13Å; F141-I208 PolarHBondContact O-N 3.12Å; F141-M210 HydrophobicContact CD1-CG 4.28Å; F141-M210 HydrophobicContact CE1-CG 3.94Å; F141-M210 HydrophobicContact CE1-SD 4.08Å; F141-I216 HydrophobicContact CB-CG2 4.5Å; F141-I216 HydrophobicContact CD1-CG1 4.24Å; F141-I216 HydrophobicContact CD1-CG2 3.97Å; F141-I216 HydrophobicContact CG-CG2 4.29Å; F141-A219 HydrophobicContact CE1-CB 4.2Å; F141-A219 HydrophobicContact CZ-CB 4.09Å; F141-L223 HydrophobicContact CE2-CD1 3.8Å; F141-L223 HydrophobicContact CZ-CD1 3.71Å; F141-A239 HydrophobicContact CD2-CB 4.31Å; F141-A242 HydrophobicContact CB-CB 3.97Å; F141-A242 HydrophobicContact CD2-CB 4.2Å; F141-A242 HydrophobicContact CG-CB 4.19Å
142	Y	93.7	Very high	89.4	Confident	15 Å²	15	28.1 Å²	28.1	6%	0.059	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	147.9	-176.1	-56.9	-85.1	0	0	0	112.5	Y140 L206 R207 Y240 E241 V576	Y140-Y142 HydrophobicContact CD2-CE2 4.04Å; Y140-Y142 AromaticContact CD2-CZ 3.97Å; Y140-Y142 HydrophobicContact CE2-CE1 4.47Å; Y140-Y142 AromaticContact CE2-CE2 3.6Å; Y140-Y142 HydrophobicContact CE2-CE2 3.6Å; Y140-Y142 AromaticContact CE2-CZ 3.53Å; Y140-Y142 VanDerWaalsContact CE2-OH 3.28Å; Y140-Y142 WeakPolarHBondContact CE2-OH 3.3Å; Y142-L206 WeakPolarHBondContact CA-O 3.49Å; Y142-R207 HydrophobicContact CD1-CB 3.87Å; Y142-R207 HydrophobicContact CD1-CG 4.18Å; Y142-R207 HydrophobicContact CE1-CB 3.71Å; Y142-R207 HydrophobicContact CE1-CG 3.7Å; Y142-Y240 PolarHBondContact N-O 2.99Å; Y142-Y240 VanDerWaalsContact N-O 3.11Å; Y142-Y240 PolarHBondContact O-N 3.17Å; Y142-E241 HydrophobicContact CD2-CG 4.4Å; Y142-V576 HydrophobicContact CD2-CG1 3.84Å; Y142-V576 HydrophobicContact CE2-CG1 4.07Å; Y142-V576 HydrophobicContact CG-CG1 4.15Å
143	V	92.4	Very high	88.8	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	150.6	166.3	-63	0	0	0	0	110.2	F141 F205 L206 I208 L223 Y237	F141-V143 HydrophobicContact CD2-CG1 4.31Å; F141-V143 HydrophobicContact CE2-CG1 3.89Å; V143-F205 CarbonylContact O-C 3.47Å; V143-F205 WeakPolarHBondContact O-CA 3.44Å; V143-F205 WeakPolarHBondContact O-CD1 3.48Å; V143-L206 HydrophobicContact CG2-CB 3.79Å; V143-L206 HydrophobicContact CG2-CD1 4.18Å; V143-L206 HydrophobicContact CG2-CG 4.26Å; V143-L206 PolarHBondContact N-O 2.93Å; V143-L206 PolarHBondContact O-N 3.22Å; V143-I208 HydrophobicContact CG1-CD1 4.27Å; V143-I208 HydrophobicContact CG2-CD1 3.73Å; V143-I208 HydrophobicContact CG2-CG1 4.47Å; V143-L223 HydrophobicContact CG1-CD1 4.21Å; V143-Y237 HydrophobicContact CB-CD1 4.42Å; V143-Y237 HydrophobicContact CG2-CD1 4.35Å
144	P	90.1	Very high	88.4	Confident	36 Å²	36	38.2 Å²	38.2	23%	0.234	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	142.2	172.6	-21.8	32.9	0	0	0	111.6	F205 Q238 Y240	P144-F205 HydrophobicContact CG-CE1 4.06Å; P144-Q238 WeakPolarHBondContact CD-O 3.34Å; P144-Y240 HydrophobicContact CG-CE2 3.89Å
145	A	88.9	Confident	88.2	Confident	18 Å²	18	39.3 Å²	39.3	15%	0.149	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-67	144.9	172.8	0	0	0	0	0	110.9	F150 D204 L206	A145-F150 HydrophobicContact CB-CD1 4.23Å; A145-D204 HydrophobicContact CB-CB 3.88Å; A145-D204 WeakPolarHBondContact CB-O 3.24Å; A145-D204 PolarHBondContact N-O 2.75Å; A145-L206 HydrophobicContact CB-CD2 4.05Å; A145-L206 HydrophobicContact CB-CG 4.29Å
146	P	85.9	Confident	88	Confident	9 Å²	9	45.1 Å²	45.1	6%	0.058	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-54.3	136.7	174.6	-26.2	33.1	0	0	0	113.2	F150 F229 F232 Q235 Y237	P146-F150 HydrophobicContact CB-CB 4.14Å; P146-F150 HydrophobicContact CB-CD2 4.03Å; P146-F150 HydrophobicContact CB-CG 4.29Å; P146-F150 HydrophobicContact CG-CB 4.47Å; P146-F150 HydrophobicContact CG-CD2 3.58Å; P146-F150 HydrophobicContact CG-CE2 3.96Å; P146-F150 HydrophobicContact CG-CG 4.09Å; P146-F150 WeakPolarHBondContact O-CB 3.45Å; P146-F229 HydrophobicContact CG-CE1 4.11Å; P146-F229 HydrophobicContact CG-CZ 3.84Å; P146-F232 HydrophobicContact CB-CD1 3.89Å; P146-F232 HydrophobicContact CB-CE1 3.92Å; P146-Q235 VanDerWaalsContact CB-NE2 3.31Å; P146-Y237 HydrophobicContact CG-CE1 4.03Å
147	N	74.5	Confident	87.9	Confident	145 Å²	145	46.9 Å²	46.9	78%	0.775	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	150.8	169.5	-66.5	-31	0	0	0	110.4
148	G	70.7	Confident	87.8	Confident	76 Å²	76	46.5 Å²	46.5	78%	0.784	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.4	40.3	172	0	0	0	0	0	116.1
149	G	73	Confident	87.8	Confident	58 Å²	58	47.9 Å²	47.9	60%	0.598	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.1	24.1	172.4	0	0	0	0	0	115	T151	G149-T151 PolarHBondContact O-N 3.01Å
150	F	81.4	Confident	87.7	Confident	22 Å²	22	55.2 Å²	55.2	10%	0.096	31%	0.312	C	S	.	.			trans	-59.9	126	170.7	-172.1	-89.6	0	0	0	110.5	A145 P146 L155 I186 L206 F229 F232	A145-F150 HydrophobicContact CB-CD1 4.23Å; P146-F150 HydrophobicContact CB-CB 4.14Å; P146-F150 HydrophobicContact CB-CD2 4.03Å; P146-F150 HydrophobicContact CB-CG 4.29Å; P146-F150 HydrophobicContact CG-CB 4.47Å; P146-F150 HydrophobicContact CG-CD2 3.58Å; P146-F150 HydrophobicContact CG-CE2 3.96Å; P146-F150 HydrophobicContact CG-CG 4.09Å; P146-F150 WeakPolarHBondContact O-CB 3.45Å; F150-L155 HydrophobicContact CE1-CD2 3.91Å; F150-L155 HydrophobicContact CZ-CD2 3.89Å; F150-I186 HydrophobicContact CD1-CD1 4.2Å; F150-I186 HydrophobicContact CE1-CD1 3.91Å; F150-I186 HydrophobicContact CE1-CG1 4.2Å; F150-L206 HydrophobicContact CD1-CD2 4.32Å; F150-L206 HydrophobicContact CE1-CD1 4.44Å; F150-L206 HydrophobicContact CE1-CD2 3.46Å; F150-L206 VanDerWaalsContact CE1-CD2 3.46Å; F150-L206 HydrophobicContact CZ-CD1 4.1Å; F150-L206 HydrophobicContact CZ-CD2 3.88Å; F150-F229 HydrophobicContact CD2-CE2 4.32Å; F150-F229 HydrophobicContact CD2-CZ 4.03Å; F150-F229 AromaticContact CE2-CE2 3.77Å; F150-F229 HydrophobicContact CE2-CE2 3.77Å; F150-F229 AromaticContact CE2-CZ 3.73Å; F150-F229 HydrophobicContact CE2-CZ 3.73Å; F150-F232 HydrophobicContact CB-CE1 4.38Å; F150-F232 HydrophobicContact CB-CZ 4.04Å; F150-F232 HydrophobicContact CD2-CE1 4.49Å; F150-F232 AromaticContact CD2-CE2 3.92Å; F150-F232 HydrophobicContact CD2-CE2 3.92Å; F150-F232 AromaticContact CD2-CZ 3.81Å; F150-F232 HydrophobicContact CD2-CZ 3.81Å; F150-F232 HydrophobicContact CG-CZ 4.42Å
151	T	83.6	Confident	87.6	Confident	62 Å²	62	58 Å²	58	38%	0.38	33%	0.325	S	S	.	.			trans	-130.4	170.5	-179.6	56.2	0	0	0	0	109.9	G149 N153 Y154	G149-T151 PolarHBondContact O-N 3.01Å; T151-N153 PolarHBondContact O-N 3.49Å; T151-Y154 PolarHBondContact O-N 2.95Å; T151-Y154 VanDerWaalsContact O-N 3.11Å
152	S	84.7	Confident	87.5	Confident	78 Å²	78	58 Å²	58	55%	0.545	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-53.6	-24.7	177.5	48.4	0	0	0	0	114	Y154 L155	S152-Y154 PolarHBondContact O-N 3.46Å; S152-L155 WeakPolarHBondContact O-CB 3.15Å; S152-L155 WeakPolarHBondContact O-CG 3.45Å; S152-L155 PolarHBondContact O-N 3.38Å
153	N	86.7	Confident	87.5	Confident	137 Å²	137	58.8 Å²	58.8	73%	0.733	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-63	-25.2	179.1	-66	-15.9	0	0	0	113.7	T151	T151-N153 PolarHBondContact O-N 3.49Å
154	Y	88.4	Confident	87.6	Confident	74 Å²	74	60.4 Å²	60.4	29%	0.29	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-92.7	-3.3	-178.8	-59.9	-73.1	0	0	0	113.6	T151 S152 E157 F158 P231 F232	T151-Y154 PolarHBondContact O-N 2.95Å; T151-Y154 VanDerWaalsContact O-N 3.11Å; S152-Y154 PolarHBondContact O-N 3.46Å; Y154-E157 PolarHBondContact O-N 2.91Å; Y154-F158 WeakPolarHBondContact O-CB 3.41Å; Y154-F158 PolarHBondContact O-N 2.96Å; Y154-P231 HydrophobicContact CE1-CG 3.92Å; Y154-F232 HydrophobicContact CD1-CE2 4.15Å; Y154-F232 HydrophobicContact CD2-CE2 4.1Å; Y154-F232 HydrophobicContact CD2-CZ 4.32Å; Y154-F232 HydrophobicContact CE1-CE2 4.42Å; Y154-F232 HydrophobicContact CE2-CE2 4.36Å; Y154-F232 HydrophobicContact CE2-CZ 4.4Å; Y154-F232 AromaticContact CG-CE2 3.99Å; Y154-F232 HydrophobicContact CG-CE2 3.99Å
155	L	90.9	Very high	87.7	Confident	25 Å²	25	60.6 Å²	60.6	13%	0.131	34%	0.343	C	S	.	.	H	α-helix	trans	-64.2	-43.9	-176.6	-70.4	172.5	0	0	0	112.7	F150 S152 E157 F158 K159 V184 I186 L206	F150-L155 HydrophobicContact CE1-CD2 3.91Å; F150-L155 HydrophobicContact CZ-CD2 3.89Å; S152-L155 WeakPolarHBondContact O-CB 3.15Å; S152-L155 WeakPolarHBondContact O-CG 3.45Å; S152-L155 PolarHBondContact O-N 3.38Å; L155-E157 VanDerWaalsContact C-N 3.33Å; L155-E157 PolarHBondContact O-N 3.46Å; L155-F158 PolarHBondContact O-N 2.73Å; L155-K159 VanDerWaalsContact O-CB 3.28Å; L155-K159 WeakPolarHBondContact O-CB 3.24Å; L155-K159 PolarHBondContact O-N 2.87Å; L155-V184 HydrophobicContact CD2-CB 4.42Å; L155-V184 HydrophobicContact CD2-CG1 3.85Å; L155-I186 HydrophobicContact CD1-CD1 4.17Å; L155-I186 HydrophobicContact CD1-CG1 4.04Å; L155-I186 HydrophobicContact CD2-CD1 4.3Å; L155-I186 HydrophobicContact CD2-CG1 3.84Å; L155-I186 HydrophobicContact CG-CD1 4.38Å; L155-I186 HydrophobicContact CG-CG1 4.33Å; L155-L206 HydrophobicContact CD2-CD2 4.04Å
156	E	91.4	Very high	87.9	Confident	126 Å²	126	59.8 Å²	59.8	59%	0.589	34%	0.336	S	S	*	.	H	α-helix	trans	-65.9	-37.1	178.7	-78.9	-60.5	151.3	0	0	111.9	K159 R160	E156-K159 IonicContact OE1-NZ 3.67Å; E156-R160 VanDerWaalsContact O-CB 3.24Å; E156-R160 WeakPolarHBondContact O-CB 3.38Å; E156-R160 PolarHBondContact O-N 3.43Å
157	E	91.9	Very high	88.1	Confident	60 Å²	60	61.7 Å²	61.7	28%	0.28	35%	0.345	S	S	.	.	H	α-helix	trans	-67.1	-45.2	175.2	-176.7	168.3	-148.8	0	0	111.8	Y154 L155 K159 R160 E161 G230	Y154-E157 PolarHBondContact O-N 2.91Å; L155-E157 VanDerWaalsContact C-N 3.33Å; L155-E157 PolarHBondContact O-N 3.46Å; E157-K159 PolarHBondContact O-N 2.97Å; E157-R160 PolarHBondContact O-N 3.45Å; E157-R160 IonicContact OE1-NH2 3.78Å; E157-E161 WeakPolarHBondContact O-CB 3.41Å; E157-E161 PolarHBondContact O-N 3.08Å; E157-G230 WeakPolarHBondContact OE1-CA 3.45Å; E157-G230 PolarHBondContact OE1-N 2.64Å; E157-G230 VanDerWaalsContact OE2-CA 3.28Å; E157-G230 WeakPolarHBondContact OE2-CA 3.34Å
158	F	92.9	Very high	88.8	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-58.7	-48.1	175.4	-175.1	-79.3	0	0	0	111.3	Y154 L155 E161 L162 V184 L206 I208 L223 F227 F229 Y237	Y154-F158 WeakPolarHBondContact O-CB 3.41Å; Y154-F158 PolarHBondContact O-N 2.96Å; L155-F158 PolarHBondContact O-N 2.73Å; F158-E161 PolarHBondContact O-N 3.23Å; F158-L162 HydrophobicContact CE1-CD2 3.98Å; F158-L162 WeakPolarHBondContact O-CB 3.44Å; F158-L162 PolarHBondContact O-N 3.33Å; F158-V184 HydrophobicContact CD1-CG1 3.97Å; F158-V184 HydrophobicContact CD1-CG2 4.12Å; F158-V184 HydrophobicContact CE1-CG1 4.33Å; F158-L206 HydrophobicContact CD2-CD1 4.18Å; F158-L206 HydrophobicContact CE1-CD1 4.24Å; F158-L206 HydrophobicContact CE2-CD1 3.89Å; F158-L206 HydrophobicContact CG-CD1 4.48Å; F158-L206 HydrophobicContact CZ-CD1 3.93Å; F158-I208 HydrophobicContact CE1-CD1 3.88Å; F158-I208 HydrophobicContact CE1-CG1 4.34Å; F158-I208 HydrophobicContact CZ-CD1 4.21Å; F158-L223 HydrophobicContact CZ-CD2 3.98Å; F158-F227 HydrophobicContact CD2-CD1 4.46Å; F158-F227 AromaticContact CD2-CE1 3.72Å; F158-F227 HydrophobicContact CD2-CE1 3.72Å; F158-F227 HydrophobicContact CE1-CE1 4.45Å; F158-F227 AromaticContact CE2-CD1 3.88Å; F158-F227 HydrophobicContact CE2-CD1 3.88Å; F158-F227 AromaticContact CE2-CE1 3.5Å; F158-F227 HydrophobicContact CE2-CE1 3.5Å; F158-F227 HydrophobicContact CG-CE1 4.29Å; F158-F227 HydrophobicContact CZ-CD1 4.29Å; F158-F227 AromaticContact CZ-CE1 3.9Å; F158-F227 HydrophobicContact CZ-CE1 3.9Å; F158-F229 HydrophobicContact CB-CD2 3.94Å; F158-F229 HydrophobicContact CB-CE2 4.15Å; F158-F229 HydrophobicContact CB-CG 4.45Å; F158-F229 AromaticContact CD2-CD1 3.81Å; F158-F229 HydrophobicContact CD2-CD1 3.81Å; F158-F229 HydrophobicContact CD2-CD2 4.02Å; F158-F229 AromaticContact CD2-CE1 3.82Å; F158-F229 HydrophobicContact CD2-CE1 3.82Å; F158-F229 AromaticContact CD2-CE2 3.97Å; F158-F229 HydrophobicContact CD2-CE2 3.97Å; F158-F229 AromaticContact CD2-CG 3.95Å; F158-F229 HydrophobicContact CD2-CG 3.95Å; F158-F229 AromaticContact CD2-CZ 3.89Å; F158-F229 HydrophobicContact CD2-CZ 3.89Å; F158-F229 HydrophobicContact CE2-CD1 4.29Å; F158-F229 HydrophobicContact CE2-CE1 4.24Å; F158-F229 HydrophobicContact CG-CD2 4.46Å; F158-Y237 HydrophobicContact CE2-CE1 4.3Å
159	K	94.7	Very high	89.8	Confident	52 Å²	52	61.7 Å²	61.7	23%	0.226	32%	0.319	C	S	.	.	H	α-helix	trans	-58.2	-49.1	176.9	174.8	-177.8	163.6	-173.9	0	111.4	L155 E156 E157 E161 L162 N163 V181 L182 V184	L155-K159 VanDerWaalsContact O-CB 3.28Å; L155-K159 WeakPolarHBondContact O-CB 3.24Å; L155-K159 PolarHBondContact O-N 2.87Å; E156-K159 IonicContact OE1-NZ 3.67Å; E157-K159 PolarHBondContact O-N 2.97Å; K159-E161 PolarHBondContact O-N 3.07Å; K159-L162 PolarHBondContact O-N 3.49Å; K159-N163 WeakPolarHBondContact O-CB 3.25Å; K159-N163 PolarHBondContact O-N 3.14Å; K159-V181 HydrophobicContact CG-CB 4.38Å; K159-V181 HydrophobicContact CG-CG1 4.02Å; K159-L182 VanDerWaalsContact CE-O 3.24Å; K159-L182 WeakPolarHBondContact CE-O 3.47Å; K159-L182 PolarHBondContact NZ-O 2.97Å; K159-L182 VanDerWaalsContact NZ-O 3.09Å; K159-V184 HydrophobicContact CB-CB 4.44Å; K159-V184 HydrophobicContact CB-CG2 3.77Å; K159-V184 HydrophobicContact CG-CG2 4.27Å
160	R	94.1	Very high	90.3	Very high	159 Å²	159	60.9 Å²	60.9	60%	0.6	30%	0.301	S	S	*	.	H	α-helix	trans	-60.3	-46.1	-179.2	-177.4	-177.5	66.4	-165	-3.3	111.5	E156 E157 N163 S164	E156-R160 VanDerWaalsContact O-CB 3.24Å; E156-R160 WeakPolarHBondContact O-CB 3.38Å; E156-R160 PolarHBondContact O-N 3.43Å; E157-R160 PolarHBondContact O-N 3.45Å; E157-R160 IonicContact OE1-NH2 3.78Å; R160-N163 PolarHBondContact O-N 3.07Å; R160-S164 WeakPolarHBondContact O-CB 3.43Å; R160-S164 PolarHBondContact O-N 3.36Å
161	E	94.1	Very high	90.3	Very high	65 Å²	65	71.9 Å²	71.9	30%	0.304	34%	0.341	S	S	.	.	H	α-helix	trans	-70	-44.1	-178.4	-168.4	56.3	-144.5	0	0	111.5	E157 F158 K159 N163 S164 V165 F227 K228 F229	E157-E161 WeakPolarHBondContact O-CB 3.41Å; E157-E161 PolarHBondContact O-N 3.08Å; F158-E161 PolarHBondContact O-N 3.23Å; K159-E161 PolarHBondContact O-N 3.07Å; E161-N163 VanDerWaalsContact C-N 3.3Å; E161-N163 PolarHBondContact O-N 3.45Å; E161-S164 WeakPolarHBondContact O-CB 3.2Å; E161-S164 PolarHBondContact O-N 3.01Å; E161-V165 WeakPolarHBondContact O-CG2 3.49Å; E161-V165 PolarHBondContact O-N 3.14Å; E161-F227 HydrophobicContact CB-CE2 4.37Å; E161-F227 HydrophobicContact CB-CZ 3.94Å; E161-F227 HydrophobicContact CG-CE2 3.99Å; E161-F227 HydrophobicContact CG-CZ 3.98Å; E161-K228 WeakPolarHBondContact CG-O 3.31Å; E161-F229 HydrophobicContact CB-CB 4.12Å; E161-F229 HydrophobicContact CG-CB 4.25Å
162	L	94	Very high	90	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-61.3	-42	176.1	-176	61.5	0	0	0	111.1	F158 K159 S164 V165 V166 V181 I208 L223 F227	F158-L162 HydrophobicContact CE1-CD2 3.98Å; F158-L162 WeakPolarHBondContact O-CB 3.44Å; F158-L162 PolarHBondContact O-N 3.33Å; K159-L162 PolarHBondContact O-N 3.49Å; L162-S164 PolarHBondContact O-N 3.42Å; L162-V165 PolarHBondContact O-N 3.19Å; L162-V166 HydrophobicContact CD1-CG2 3.95Å; L162-V166 HydrophobicContact CG-CG2 4.28Å; L162-V166 WeakPolarHBondContact O-CB 3.34Å; L162-V166 VanDerWaalsContact O-CG2 3.24Å; L162-V166 WeakPolarHBondContact O-CG2 3.39Å; L162-V166 PolarHBondContact O-N 3.39Å; L162-V181 HydrophobicContact CB-CG2 4.19Å; L162-V181 HydrophobicContact CD2-CG2 3.95Å; L162-V181 HydrophobicContact CG-CG2 3.82Å; L162-I208 HydrophobicContact CD2-CD1 4.03Å; L162-I208 HydrophobicContact CD2-CG2 3.8Å; L162-L223 HydrophobicContact CD1-CD1 4.32Å; L162-L223 HydrophobicContact CD1-CD2 4.09Å; L162-L223 HydrophobicContact CD1-CG 4.05Å; L162-L223 HydrophobicContact CD2-CD1 4.33Å; L162-F227 HydrophobicContact CB-CE2 4.2Å; L162-F227 HydrophobicContact CB-CZ 3.89Å; L162-F227 HydrophobicContact CD1-CE2 4.2Å; L162-F227 HydrophobicContact CD1-CZ 4.49Å
163	N	93.8	Very high	89.8	Confident	33 Å²	33	71.6 Å²	71.6	18%	0.176	34%	0.337	C	S	.	.	H	α-helix	trans	-58.7	-45.9	174.9	-178	66.5	0	0	0	112.1	K159 R160 E161 L167 T180 V181	K159-N163 WeakPolarHBondContact O-CB 3.25Å; K159-N163 PolarHBondContact O-N 3.14Å; R160-N163 PolarHBondContact O-N 3.07Å; E161-N163 VanDerWaalsContact C-N 3.3Å; E161-N163 PolarHBondContact O-N 3.45Å; N163-L167 WeakPolarHBondContact ND2-CD1 3.02Å; N163-L167 VanDerWaalsContact O-CB 3.31Å; N163-L167 WeakPolarHBondContact O-CB 3.38Å; N163-L167 WeakPolarHBondContact O-CD1 3.44Å; N163-L167 VanDerWaalsContact O-CG 3.22Å; N163-L167 WeakPolarHBondContact O-CG 3.31Å; N163-L167 PolarHBondContact O-N 3.26Å; N163-T180 WeakPolarHBondContact CA-OG1 3.23Å; N163-T180 PolarHBondContact O-OG1 3.23Å; N163-T180 PolarHBondContact OD1-N 3.36Å; N163-T180 PolarHBondContact OD1-OG1 3.07Å; N163-V181 HydrophobicContact CB-CB 4.26Å; N163-V181 HydrophobicContact CB-CG2 4.18Å; N163-V181 PolarHBondContact OD1-N 3.32Å
164	S	93.4	Very high	89.2	Confident	34 Å²	34	73.7 Å²	73.7	24%	0.238	34%	0.34	C	S	.	.	H	α-helix	trans	-60.6	-47.9	177.7	170.8	0	0	0	0	112.2	R160 E161 L162 L167 K168	R160-S164 WeakPolarHBondContact O-CB 3.43Å; R160-S164 PolarHBondContact O-N 3.36Å; E161-S164 WeakPolarHBondContact O-CB 3.2Å; E161-S164 PolarHBondContact O-N 3.01Å; L162-S164 PolarHBondContact O-N 3.42Å; S164-L167 PolarHBondContact O-N 3.32Å; S164-K168 VanDerWaalsContact O-CG 3.31Å; S164-K168 WeakPolarHBondContact O-CG 3.34Å; S164-K168 PolarHBondContact O-N 3.4Å
165	V	93.1	Very high	88.5	Confident	40 Å²	40	71.4 Å²	71.4	24%	0.242	33%	0.333	C	S	.	.	H	α-helix	trans	-69.9	-41.9	-176.8	-179.6	0	0	0	0	111.3	E161 L162 K168 D169 L222 F227	E161-V165 WeakPolarHBondContact O-CG2 3.49Å; E161-V165 PolarHBondContact O-N 3.14Å; L162-V165 PolarHBondContact O-N 3.19Å; V165-K168 PolarHBondContact O-N 3.26Å; V165-D169 PolarHBondContact O-N 3.39Å; V165-L222 HydrophobicContact CG1-CD1 3.96Å; V165-L222 HydrophobicContact CG1-CD2 3.94Å; V165-L222 HydrophobicContact CG1-CG 4.37Å; V165-F227 HydrophobicContact CG2-CE2 4.42Å
166	V	92.3	Very high	87.9	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-64.6	-41.5	176.8	175.7	0	0	0	0	110.9	L162 K168 D169 M170 T180 L215 A219 L222	L162-V166 HydrophobicContact CD1-CG2 3.95Å; L162-V166 HydrophobicContact CG-CG2 4.28Å; L162-V166 WeakPolarHBondContact O-CB 3.34Å; L162-V166 VanDerWaalsContact O-CG2 3.24Å; L162-V166 WeakPolarHBondContact O-CG2 3.39Å; L162-V166 PolarHBondContact O-N 3.39Å; V166-K168 VanDerWaalsContact C-N 3.35Å; V166-K168 PolarHBondContact O-N 2.94Å; V166-D169 PolarHBondContact O-N 3.3Å; V166-M170 WeakPolarHBondContact O-CG 3.2Å; V166-M170 PolarHBondContact O-N 3.39Å; V166-T180 HydrophobicContact CG1-CG2 4.02Å; V166-L215 HydrophobicContact CG1-CD2 4.39Å; V166-A219 HydrophobicContact CG2-CB 3.94Å; V166-L222 HydrophobicContact CG2-CD1 3.93Å
167	L	90.9	Very high	87.4	Confident	50 Å²	50	71.5 Å²	71.5	26%	0.262	34%	0.337	S	S	.	.	H	α-helix	trans	-61.1	-40.9	174.7	-78.8	168.5	0	0	0	112.4	N163 S164 M170 I177 T180	N163-L167 WeakPolarHBondContact ND2-CD1 3.02Å; N163-L167 VanDerWaalsContact O-CB 3.31Å; N163-L167 WeakPolarHBondContact O-CB 3.38Å; N163-L167 WeakPolarHBondContact O-CD1 3.44Å; N163-L167 VanDerWaalsContact O-CG 3.22Å; N163-L167 WeakPolarHBondContact O-CG 3.31Å; N163-L167 PolarHBondContact O-N 3.26Å; S164-L167 PolarHBondContact O-N 3.32Å; L167-M170 HydrophobicContact CD2-SD 4.28Å; L167-M170 WeakPolarHBondContact O-CB 3.5Å; L167-M170 PolarHBondContact O-N 3.38Å; L167-I177 WeakPolarHBondContact CD2-O 3.3Å; L167-T180 HydrophobicContact CD2-CG2 3.49Å; L167-T180 VanDerWaalsContact CD2-CG2 3.49Å; L167-T180 HydrophobicContact CG-CG2 3.64Å
168	K	89.8	Confident	86.9	Confident	164 Å²	164	72 Å²	72	71%	0.713	35%	0.347	S	S	*	.	H	α-helix	trans	-68.6	-32.1	177.8	-73.7	172	-175.3	173.2	0	113.2	S164 V165 V166 M170	S164-K168 VanDerWaalsContact O-CG 3.31Å; S164-K168 WeakPolarHBondContact O-CG 3.34Å; S164-K168 PolarHBondContact O-N 3.4Å; V165-K168 PolarHBondContact O-N 3.26Å; V166-K168 VanDerWaalsContact C-N 3.35Å; V166-K168 PolarHBondContact O-N 2.94Å; K168-M170 VanDerWaalsContact C-N 3.25Å; K168-M170 PolarHBondContact O-N 2.89Å
169	D	89.8	Confident	86.6	Confident	56 Å²	56	74.8 Å²	74.8	30%	0.299	36%	0.362	S	S	.	.	H	α-helix	trans	-73.1	-17.8	177.6	-176.1	62.2	0	0	0	112.8	V165 V166 R171 P218 R221 L222	V165-D169 PolarHBondContact O-N 3.39Å; V166-D169 PolarHBondContact O-N 3.3Å; D169-R171 PolarHBondContact O-N 3.06Å; D169-R171 VanDerWaalsContact O-N 3.09Å; D169-P218 WeakPolarHBondContact OD2-CB 3.24Å; D169-R221 IonicContact OD1-NH2 2.65Å; D169-R221 PolarHBondContact OD1-NH2 3.01Å; D169-R221 IonicContact OD2-CZ 3.21Å; D169-R221 IonicContact OD2-NH2 2.82Å; D169-R221 PolarHBondContact OD2-NH2 3.43Å; D169-L222 HydrophobicContact CB-CD1 3.99Å
170	M	85.3	Confident	86.4	Confident	42 Å²	42	72.3 Å²	72.3	21%	0.207	35%	0.351	C	S	.	.			trans	-68	108.9	176.9	-71	-179.9	62	0	0	111.5	V166 L167 K168 S172 N173 I177 T180 L215	V166-M170 WeakPolarHBondContact O-CG 3.2Å; V166-M170 PolarHBondContact O-N 3.39Å; L167-M170 HydrophobicContact CD2-SD 4.28Å; L167-M170 WeakPolarHBondContact O-CB 3.5Å; L167-M170 PolarHBondContact O-N 3.38Å; K168-M170 VanDerWaalsContact C-N 3.25Å; K168-M170 PolarHBondContact O-N 2.89Å; M170-S172 PolarHBondContact O-N 3.44Å; M170-N173 HydrophobicContact CE-CB 4.09Å; M170-N173 WeakPolarHBondContact CE-OD1 3.45Å; M170-I177 HydrophobicContact CE-CD1 3.97Å; M170-T180 HydrophobicContact SD-CG2 4.2Å; M170-L215 HydrophobicContact SD-CD2 4.18Å
171	R	80.3	Confident	86.3	Confident	253 Å²	253	64.8 Å²	64.8	96%	0.955	32%	0.322	S	S	*	.	S	Bend	trans	-63.1	-24.7	174	-62.9	-177.3	-178.8	-176.8	-1.4	113.9	D169	D169-R171 PolarHBondContact O-N 3.06Å; D169-R171 VanDerWaalsContact O-N 3.09Å
172	S	78.4	Confident	86.2	Confident	72 Å²	72	63.8 Å²	63.8	50%	0.503	32%	0.319	S	S	.	.			trans	-153.6	130.6	-179.2	-175.8	0	0	0	0	110.4	M170 K174	M170-S172 PolarHBondContact O-N 3.44Å; S172-K174 WeakPolarHBondContact OG-CG 3.49Å
173	N	78.8	Confident	86.2	Confident	62 Å²	62	65.1 Å²	65.1	33%	0.332	33%	0.33	S	S	.	.			trans	-110.4	58.2	179.8	-166.7	12.3	0	0	0	112.3	M170 D175 N176 I177	M170-N173 HydrophobicContact CE-CB 4.09Å; M170-N173 WeakPolarHBondContact CE-OD1 3.45Å; N173-D175 PolarHBondContact O-N 3.18Å; N173-D175 VanDerWaalsContact O-N 3.13Å; N173-N176 PolarHBondContact O-N 3.17Å; N173-N176 PolarHBondContact OD1-N 2.85Å; N173-I177 PolarHBondContact ND2-N 3.06Å; N173-I177 PolarHBondContact ND2-O 3.3Å; N173-I177 WeakPolarHBondContact OD1-CB 3.46Å; N173-I177 WeakPolarHBondContact OD1-CG1 3.18Å; N173-I177 PolarHBondContact OD1-N 2.95Å
174	K	75.5	Confident	86.2	Confident	180 Å²	180	64 Å²	64	78%	0.783	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-22.8	-177.2	-64	-172.8	179	-178.4	0	114.5	S172	S172-K174 WeakPolarHBondContact OG-CG 3.49Å
175	D	73.4	Confident	86.2	Confident	27 Å²	27	66 Å²	66	14%	0.144	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	13	-176.7	-62.7	-66	0	0	0	112.8	K114 N173 I177 M212 R214	K114-D175 IonicContact NZ-OD1 3.93Å; K114-D175 PolarHBondContact NZ-OD1 3.19Å; N173-D175 PolarHBondContact O-N 3.18Å; N173-D175 VanDerWaalsContact O-N 3.13Å; D175-I177 HydrophobicContact CB-CD1 4.41Å; D175-I177 HydrophobicContact CB-CG1 4.03Å; D175-I177 PolarHBondContact O-N 3.26Å; D175-M212 HydrophobicContact CB-CE 4.2Å; D175-R214 IonicContact OD2-CZ 3.62Å; D175-R214 VanDerWaalsContact OD2-CZ 3.24Å; D175-R214 IonicContact OD2-NH1 2.81Å; D175-R214 PolarHBondContact OD2-NH1 3.01Å; D175-R214 IonicContact OD2-NH2 3.96Å; D175-R214 PolarHBondContact OD2-NH2 3.47Å
176	N	77.9	Confident	86.2	Confident	140 Å²	140	67.1 Å²	67.1	75%	0.749	34%	0.336	S	S	*	.			trans	48.6	44.4	179.8	-68.8	-26	0	0	0	113.3	N173 S178	N173-N176 PolarHBondContact O-N 3.17Å; N173-N176 PolarHBondContact OD1-N 2.85Å; N176-S178 PolarHBondContact O-N 2.84Å
177	I	81.5	Confident	86	Confident	12 Å²	12	68.4 Å²	68.4	6%	0.062	35%	0.345	C	S	.	.			trans	-71.2	116.6	-179.6	-53.3	-179	0	0	0	108.7	L167 M170 N173 D175 I179 T180 M212 L215	L167-I177 WeakPolarHBondContact CD2-O 3.3Å; M170-I177 HydrophobicContact CE-CD1 3.97Å; N173-I177 PolarHBondContact ND2-N 3.06Å; N173-I177 PolarHBondContact ND2-O 3.3Å; N173-I177 WeakPolarHBondContact OD1-CB 3.46Å; N173-I177 WeakPolarHBondContact OD1-CG1 3.18Å; N173-I177 PolarHBondContact OD1-N 2.95Å; D175-I177 HydrophobicContact CB-CD1 4.41Å; D175-I177 HydrophobicContact CB-CG1 4.03Å; D175-I177 PolarHBondContact O-N 3.26Å; I177-I179 VanDerWaalsContact CG2-O 3.23Å; I177-I179 WeakPolarHBondContact CG2-O 3.4Å; I177-T180 HydrophobicContact CG2-CG2 3.86Å; I177-M212 HydrophobicContact CD1-CE 3.29Å; I177-M212 HydrophobicContact CD1-CG 4.48Å; I177-M212 HydrophobicContact CD1-SD 3.39Å; I177-M212 WeakPolarHBondContact CD1-SD 3.47Å; I177-M212 HydrophobicContact CG1-CE 3.49Å; I177-M212 VanDerWaalsContact CG1-CE 3.49Å; I177-M212 HydrophobicContact CG1-SD 4.28Å; I177-L215 HydrophobicContact CD1-CD1 4.37Å
178	S	81.4	Confident	85.8	Confident	70 Å²	70	74.9 Å²	74.9	49%	0.49	37%	0.366	S	S	.	.	S	Bend	trans	-96.2	-26.8	172.8	54.4	0	0	0	0	112.5	N176	N176-S178 PolarHBondContact O-N 2.84Å
179	I	86.4	Confident	85.5	Confident	60 Å²	60	68.2 Å²	68.2	31%	0.308	34%	0.337	S	S	.	.			trans	-129.2	119.4	-177.7	-56.7	172.9	0	0	0	108.1	I177 V181 L182 A211	I177-I179 VanDerWaalsContact CG2-O 3.23Å; I177-I179 WeakPolarHBondContact CG2-O 3.4Å; I179-V181 WeakPolarHBondContact CG2-O 3.23Å; I179-L182 HydrophobicContact CG2-CD2 4.05Å; I179-A211 VanDerWaalsContact O-CB 3.23Å; I179-A211 WeakPolarHBondContact O-CB 3.35Å
180	T	90.1	Very high	84.8	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.331	C	S	.	.	S	Bend	trans	-100.1	-32.6	177.9	58.3	0	0	0	0	112.4	N163 V166 L167 M170 I177 M210 A211 L215	N163-T180 WeakPolarHBondContact CA-OG1 3.23Å; N163-T180 PolarHBondContact O-OG1 3.23Å; N163-T180 PolarHBondContact OD1-N 3.36Å; N163-T180 PolarHBondContact OD1-OG1 3.07Å; V166-T180 HydrophobicContact CG1-CG2 4.02Å; L167-T180 HydrophobicContact CD2-CG2 3.49Å; L167-T180 VanDerWaalsContact CD2-CG2 3.49Å; L167-T180 HydrophobicContact CG-CG2 3.64Å; M170-T180 HydrophobicContact SD-CG2 4.2Å; I177-T180 HydrophobicContact CG2-CG2 3.86Å; T180-M210 WeakPolarHBondContact O-CA 3.28Å; T180-M210 WeakPolarHBondContact O-CE 3.37Å; T180-A211 PolarHBondContact O-N 3.41Å; T180-L215 HydrophobicContact CG2-CD1 3.94Å
181	V	92.9	Very high	83.6	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	115.8	178	-172.9	0	0	0	0	109.1	K159 L162 N163 I179 V184 I208 M210	K159-V181 HydrophobicContact CG-CB 4.38Å; K159-V181 HydrophobicContact CG-CG1 4.02Å; L162-V181 HydrophobicContact CB-CG2 4.19Å; L162-V181 HydrophobicContact CD2-CG2 3.95Å; L162-V181 HydrophobicContact CG-CG2 3.82Å; N163-V181 HydrophobicContact CB-CB 4.26Å; N163-V181 HydrophobicContact CB-CG2 4.18Å; N163-V181 PolarHBondContact OD1-N 3.32Å; I179-V181 WeakPolarHBondContact CG2-O 3.23Å; V181-V184 HydrophobicContact CG1-CG2 3.82Å; V181-I208 HydrophobicContact CG1-CG2 4.06Å; V181-M210 HydrophobicContact CG2-CE 4.2Å; V181-M210 HydrophobicContact CG2-SD 4.02Å
182	L	91.3	Very high	82.6	Confident	44 Å²	44	59.5 Å²	59.5	23%	0.23	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	-47.8	-176.7	-58.9	-176.5	0	0	0	111.8	Q110 A138 K159 I179 T209 A211	Q110-L182 HydrophobicContact CG-CD2 4.45Å; A138-L182 HydrophobicContact CB-CD1 3.89Å; K159-L182 VanDerWaalsContact CE-O 3.24Å; K159-L182 WeakPolarHBondContact CE-O 3.47Å; K159-L182 PolarHBondContact NZ-O 2.97Å; K159-L182 VanDerWaalsContact NZ-O 3.09Å; I179-L182 HydrophobicContact CG2-CD2 4.05Å; L182-T209 HydrophobicContact CB-CG2 4.15Å; L182-T209 HydrophobicContact CD1-CG2 4.26Å; L182-T209 PolarHBondContact N-O 3.49Å; L182-A211 HydrophobicContact CD2-CB 3.88Å; L182-A211 HydrophobicContact CG-CB 4.14Å
183	A	93.3	Very high	82	Confident	29 Å²	29	56 Å²	56	24%	0.24	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	152.2	-176.3	0	0	0	0	0	111	T209	A183-T209 PolarHBondContact N-O 2.9Å; A183-T209 PolarHBondContact O-N 2.74Å
184	V	94.8	Very high	82	Confident	10 Å²	10	53.1 Å²	53.1	6%	0.061	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	113	169.7	-175.4	0	0	0	0	106.8	L155 F158 K159 V181 L206 R207 I208	L155-V184 HydrophobicContact CD2-CB 4.42Å; L155-V184 HydrophobicContact CD2-CG1 3.85Å; F158-V184 HydrophobicContact CD1-CG1 3.97Å; F158-V184 HydrophobicContact CD1-CG2 4.12Å; F158-V184 HydrophobicContact CE1-CG1 4.33Å; K159-V184 HydrophobicContact CB-CB 4.44Å; K159-V184 HydrophobicContact CB-CG2 3.77Å; K159-V184 HydrophobicContact CG-CG2 4.27Å; V181-V184 HydrophobicContact CG1-CG2 3.82Å; V184-L206 HydrophobicContact CG1-CB 4.09Å; V184-R207 WeakPolarHBondContact CA-O 3.39Å; V184-I208 HydrophobicContact CG1-CG1 4.36Å
185	D	93.6	Very high	82.4	Confident	76 Å²	76	47.4 Å²	47.4	41%	0.406	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	144.7	-175.7	-56	-63.7	0	0	0	110.5	L206 R207	D185-L206 CarbonylContact O-C 3.59Å; D185-L206 WeakPolarHBondContact O-CA 3.44Å; D185-R207 HydrophobicContact CB-CB 4.41Å; D185-R207 PolarHBondContact N-O 3.25Å; D185-R207 PolarHBondContact O-N 3.18Å
186	I	91.8	Very high	83	Confident	62 Å²	62	46.1 Å²	46.1	32%	0.318	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	124.5	169.8	-61.3	171.9	0	0	0	108.3	F150 L155 D204 F205 L206	F150-I186 HydrophobicContact CD1-CD1 4.2Å; F150-I186 HydrophobicContact CE1-CD1 3.91Å; F150-I186 HydrophobicContact CE1-CG1 4.2Å; L155-I186 HydrophobicContact CD1-CD1 4.17Å; L155-I186 HydrophobicContact CD1-CG1 4.04Å; L155-I186 HydrophobicContact CD2-CD1 4.3Å; L155-I186 HydrophobicContact CD2-CG1 3.84Å; L155-I186 HydrophobicContact CG-CD1 4.38Å; L155-I186 HydrophobicContact CG-CG1 4.33Å; I186-D204 HydrophobicContact CG2-CB 3.93Å; I186-F205 CarbonylContact C-O 3.49Å; I186-F205 WeakPolarHBondContact CA-O 3.39Å; I186-L206 HydrophobicContact CG1-CD2 3.94Å
187	C	89.6	Confident	83.5	Confident	28 Å²	28	40.2 Å²	40.2	19%	0.189	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	141.2	171	62.3	0	0	0	0	110.6	F205	C187-F205 PolarHBondContact N-O 3.09Å; C187-F205 PolarHBondContact O-N 2.79Å
188	R	86.9	Confident	83.5	Confident	186 Å²	186	41.7 Å²	41.7	70%	0.702	21%	0.206	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	128.6	172.3	-78.4	-179.4	-179.7	174.8	4	109.4	D204	R188-D204 WeakPolarHBondContact CG-OD1 3.45Å; R188-D204 IonicContact NE-OD1 3.51Å
189	K	83.1	Confident	83.3	Confident	24 Å²	24	38.8 Å²	38.8	10%	0.104	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	151.4	173.7	-60.9	-68.5	174.8	-173.8	0	109.4	S202 L203 F205 D574 V576	K189-S202 CarbonylContact O-C 3.57Å; K189-S202 WeakPolarHBondContact O-CA 3.31Å; K189-L203 PolarHBondContact N-O 2.65Å; K189-L203 PolarHBondContact O-N 3.05Å; K189-F205 HydrophobicContact CB-CD2 3.62Å; K189-F205 HydrophobicContact CB-CE2 3.85Å; K189-F205 HydrophobicContact CB-CG 4.34Å; K189-F205 HydrophobicContact CG-CB 4.42Å; K189-F205 HydrophobicContact CG-CD2 4.11Å; K189-F205 HydrophobicContact CG-CG 4.36Å; K189-D574 WeakPolarHBondContact CA-O 3.42Å; K189-D574 WeakPolarHBondContact CB-O 3.42Å; K189-D574 HydrophobicContact CD-CB 4.11Å; K189-D574 WeakPolarHBondContact CD-O 3.45Å; K189-D574 IonicContact NZ-OD1 3.68Å; K189-D574 PolarHBondContact NZ-OD1 3.26Å; K189-V576 HydrophobicContact CB-CG1 4.47Å; K189-V576 HydrophobicContact CD-CG1 4.04Å; K189-V576 HydrophobicContact CG-CG1 3.93Å
190	E	74.3	Confident	82.6	Confident	37 Å²	37	43 Å²	43	17%	0.173	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	141.9	178.3	-151.1	-173.2	153.8	0	0	110.5	G193 D574 L575 R659	E190-G193 PolarHBondContact O-N 2.96Å; E190-D574 PolarHBondContact N-O 2.84Å; E190-L575 HydrophobicContact CB-CD2 3.73Å; E190-R659 IonicContact OE1-CZ 3.23Å; E190-R659 IonicContact OE1-NE 2.73Å; E190-R659 IonicContact OE1-NH2 2.7Å; E190-R659 PolarHBondContact OE1-NH2 3.35Å; E190-R659 VanDerWaalsContact OE1-NH2 3.13Å; E190-R659 IonicContact OE2-CZ 3.79Å; E190-R659 IonicContact OE2-NH2 2.73Å; E190-R659 PolarHBondContact OE2-NH2 2.85Å
191	T	60	Low	81.8	Confident	19 Å²	19	51.6 Å²	51.6	12%	0.117	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	134.1	-162.8	-64.3	0	0	0	0	114	G193 H198 R201 L203	T191-G193 PolarHBondContact O-N 2.86Å; T191-G193 VanDerWaalsContact O-N 3.17Å; T191-H198 HydrophobicContact CG2-CB 4.11Å; T191-R201 WeakPolarHBondContact CB-O 3.42Å; T191-R201 PolarHBondContact N-O 3.23Å; T191-R201 WeakPolarHBondContact OG1-CB 3.31Å; T191-R201 PolarHBondContact OG1-O 2.99Å; T191-L203 HydrophobicContact CG2-CD1 3.77Å; T191-L203 HydrophobicContact CG2-CG 3.99Å
192	K	59.4	Low	81.1	Confident	111 Å²	111	55.4 Å²	55.4	48%	0.483	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	16.5	175	-74.1	-177.7	176.5	-178.6	0	116.1
193	G	66.2	Low	80.7	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	-153.3	174.2	0	0	0	0	0	113.4	E190 T191 Y195 V576	E190-G193 PolarHBondContact O-N 2.96Å; T191-G193 PolarHBondContact O-N 2.86Å; T191-G193 VanDerWaalsContact O-N 3.17Å; G193-Y195 VanDerWaalsContact C-N 3.31Å; G193-Y195 PolarHBondContact O-N 3.13Å; G193-V576 CarbonylContact C-O 3.48Å; G193-V576 WeakPolarHBondContact CA-O 3.47Å
194	I	79.1	Confident	80.4	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-21.9	-173.7	-67.3	174.6	0	0	0	113.5	L566 A570 L575 V576 M577 Y625 T626 L662 L718	I194-L566 HydrophobicContact CD1-CD1 4.42Å; I194-L566 HydrophobicContact CD1-CD2 4.33Å; I194-L566 HydrophobicContact CD1-CG 4.16Å; I194-A570 HydrophobicContact CD1-CB 3.65Å; I194-A570 HydrophobicContact CG1-CB 4.35Å; I194-L575 HydrophobicContact CG1-CB 3.98Å; I194-V576 PolarHBondContact N-O 2.76Å; I194-M577 HydrophobicContact CD1-CB 3.82Å; I194-M577 HydrophobicContact CD1-CG 4.23Å; I194-Y625 HydrophobicContact CG2-CD2 4.26Å; I194-Y625 HydrophobicContact CG2-CG 4.1Å; I194-Y625 CarbonylContact O-C 3.51Å; I194-Y625 WeakPolarHBondContact O-CB 3.29Å; I194-T626 HydrophobicContact CB-CG2 4.48Å; I194-T626 HydrophobicContact CG2-CG2 4.11Å; I194-T626 WeakPolarHBondContact O-CA 3.44Å; I194-T626 WeakPolarHBondContact O-CG2 3.38Å; I194-T626 PolarHBondContact O-N 3.11Å; I194-L662 HydrophobicContact CD1-CD1 4.22Å; I194-L662 HydrophobicContact CG1-CD1 4.12Å; I194-L662 HydrophobicContact CG2-CD1 4.39Å; I194-L718 HydrophobicContact CG2-CD2 4.46Å
195	Y	84.1	Confident	80.2	Confident	60 Å²	60	57.8 Å²	57.8	24%	0.235	27%	0.273	C	S	.	.	S	Bend	trans	-95.8	107.6	-166.1	-153.3	-78.3	0	0	0	113.7	G193 H198 Y625 L718 C720	G193-Y195 VanDerWaalsContact C-N 3.31Å; G193-Y195 PolarHBondContact O-N 3.13Å; Y195-H198 PolarHBondContact O-NE2 3.36Å; Y195-H198 VanDerWaalsContact O-NE2 3.08Å; Y195-Y625 AromaticContact CD2-CD1 3.98Å; Y195-Y625 HydrophobicContact CD2-CD1 3.98Å; Y195-Y625 HydrophobicContact CE2-CD1 4.03Å; Y195-Y625 HydrophobicContact CE2-CE1 4.35Å; Y195-L718 HydrophobicContact CD2-CD1 4.15Å; Y195-C720 HydrophobicContact CE2-CB 4.15Å
196	G	86.1	Confident	80.2	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.01	25%	0.254	C	S	.	.	S	Bend	trans	83.5	154.7	-178.8	0	0	0	0	0	113.4	H198 Y625 L628	G196-H198 PolarHBondContact O-CD2 2.99Å; G196-H198 VanDerWaalsContact O-CD2 3.29Å; G196-Y625 VanDerWaalsContact CA-O 3.31Å; G196-Y625 WeakPolarHBondContact CA-O 3.29Å; G196-Y625 PolarHBondContact N-O 3.36Å; G196-L628 CarbonylContact C-O 3.57Å; G196-L628 VanDerWaalsContact CA-O 3.32Å; G196-L628 WeakPolarHBondContact CA-O 3.22Å
197	Y	86.9	Confident	80.4	Confident	15 Å²	15	55 Å²	55	6%	0.059	25%	0.253	C	S	.	.			trans	-92.7	122.2	173	-176.7	-108.9	0	0	0	110.8	L628 L629 L637 L639 V654 V658 R659	Y197-L628 PolarHBondContact N-O 2.85Å; Y197-L629 HydrophobicContact CD1-CD2 3.8Å; Y197-L637 HydrophobicContact CD1-CD1 3.89Å; Y197-L637 HydrophobicContact CE1-CD1 3.96Å; Y197-L639 HydrophobicContact CD1-CD1 4.5Å; Y197-L639 HydrophobicContact CE1-CD1 4.24Å; Y197-V654 HydrophobicContact CD1-CG1 3.69Å; Y197-V654 HydrophobicContact CD1-CG2 4.49Å; Y197-V654 HydrophobicContact CD2-CG2 4.46Å; Y197-V654 HydrophobicContact CE1-CG1 3.97Å; Y197-V654 HydrophobicContact CG-CG1 4.23Å; Y197-V654 HydrophobicContact CG-CG2 4.26Å; Y197-V658 HydrophobicContact CE1-CG1 4.35Å; Y197-V658 WeakPolarHBondContact OH-CG1 3.36Å; Y197-R659 HydrophobicContact CE2-CB 4.22Å
198	H	82.1	Confident	80.7	Confident	44 Å²	44	53.7 Å²	53.7	20%	0.204	24%	0.244	C	C	.	.			trans	-123	17.6	-178.4	-52.9	-83.8	0	0	0	112.7	T191 Y195 G196	T191-H198 HydrophobicContact CG2-CB 4.11Å; Y195-H198 PolarHBondContact O-NE2 3.36Å; Y195-H198 VanDerWaalsContact O-NE2 3.08Å; G196-H198 PolarHBondContact O-CD2 2.99Å; G196-H198 VanDerWaalsContact O-CD2 3.29Å
199	G	76.8	Confident	81.1	Confident	9 Å²	9	45.7 Å²	45.7	9%	0.093	22%	0.215	C	C	.	.			trans	85	164.2	-171.7	0	0	0	0	0	113.5	R201	G199-R201 PolarHBondContact O-N 2.82Å
200	Q	71.6	Confident	81.7	Confident	149 Å²	149	44.5 Å²	44.5	70%	0.696	21%	0.21	S	C	*	.	S	Bend	trans	-77.5	49.4	179.1	-66.1	-179.5	-5.7	0	0	112.5
201	R	74.1	Confident	82.5	Confident	179 Å²	179	42.9 Å²	42.9	68%	0.675	20%	0.203	S	C	*	.			trans	-93.5	144.2	175	-67.3	-178.2	-176.6	-175.6	2.4	108.6	T191 G199	T191-R201 WeakPolarHBondContact CB-O 3.42Å; T191-R201 PolarHBondContact N-O 3.23Å; T191-R201 WeakPolarHBondContact OG1-CB 3.31Å; T191-R201 PolarHBondContact OG1-O 2.99Å; G199-R201 PolarHBondContact O-N 2.82Å
202	S	77.9	Confident	84	Confident	80 Å²	80	42.2 Å²	42.2	56%	0.559	20%	0.199	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	137.3	168.6	-66	0	0	0	0	109.5	K189	K189-S202 CarbonylContact O-C 3.57Å; K189-S202 WeakPolarHBondContact O-CA 3.31Å
203	L	82.4	Confident	85.6	Confident	68 Å²	68	38 Å²	38	36%	0.356	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	148.8	168.1	-69.6	179.7	0	0	0	109.3	K189 T191 F205	K189-L203 PolarHBondContact N-O 2.65Å; K189-L203 PolarHBondContact O-N 3.05Å; T191-L203 HydrophobicContact CG2-CD1 3.77Å; T191-L203 HydrophobicContact CG2-CG 3.99Å; L203-F205 HydrophobicContact CB-CD2 4.26Å; L203-F205 HydrophobicContact CB-CE2 3.95Å
204	D	88.5	Confident	86.8	Confident	65 Å²	65	43.8 Å²	43.8	35%	0.348	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	127.3	168.3	-67.2	-25.7	0	0	0	108.6	A145 I186 R188	A145-D204 HydrophobicContact CB-CB 3.88Å; A145-D204 WeakPolarHBondContact CB-O 3.24Å; A145-D204 PolarHBondContact N-O 2.75Å; I186-D204 HydrophobicContact CG2-CB 3.93Å; R188-D204 WeakPolarHBondContact CG-OD1 3.45Å; R188-D204 IonicContact NE-OD1 3.51Å
205	F	90.8	Very high	87.5	Confident	1 Å²	1	44 Å²	44	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	150	172.9	-81.5	-104	0	0	0	109.2	V143 P144 I186 C187 K189 L203 Y240 V576	V143-F205 CarbonylContact O-C 3.47Å; V143-F205 WeakPolarHBondContact O-CA 3.44Å; V143-F205 WeakPolarHBondContact O-CD1 3.48Å; P144-F205 HydrophobicContact CG-CE1 4.06Å; I186-F205 CarbonylContact C-O 3.49Å; I186-F205 WeakPolarHBondContact CA-O 3.39Å; C187-F205 PolarHBondContact N-O 3.09Å; C187-F205 PolarHBondContact O-N 2.79Å; K189-F205 HydrophobicContact CB-CD2 3.62Å; K189-F205 HydrophobicContact CB-CE2 3.85Å; K189-F205 HydrophobicContact CB-CG 4.34Å; K189-F205 HydrophobicContact CG-CB 4.42Å; K189-F205 HydrophobicContact CG-CD2 4.11Å; K189-F205 HydrophobicContact CG-CG 4.36Å; L203-F205 HydrophobicContact CB-CD2 4.26Å; L203-F205 HydrophobicContact CB-CE2 3.95Å; F205-Y240 HydrophobicContact CE1-CD1 4.48Å; F205-Y240 AromaticContact CE1-CD2 3.86Å; F205-Y240 HydrophobicContact CE1-CD2 3.86Å; F205-Y240 AromaticContact CE1-CE2 3.95Å; F205-Y240 HydrophobicContact CE1-CE2 3.95Å; F205-Y240 HydrophobicContact CE1-CG 4.17Å; F205-V576 HydrophobicContact CD1-CG2 4.45Å; F205-V576 HydrophobicContact CE1-CG2 3.83Å; F205-V576 HydrophobicContact CE2-CG2 4.45Å; F205-V576 HydrophobicContact CZ-CG2 3.82Å
206	L	93.1	Very high	87.9	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	117.5	168	-48.9	-178.8	0	0	0	108.3	Y142 V143 A145 F150 L155 F158 V184 D185 I186 I208	Y142-L206 WeakPolarHBondContact CA-O 3.49Å; V143-L206 HydrophobicContact CG2-CB 3.79Å; V143-L206 HydrophobicContact CG2-CD1 4.18Å; V143-L206 HydrophobicContact CG2-CG 4.26Å; V143-L206 PolarHBondContact N-O 2.93Å; V143-L206 PolarHBondContact O-N 3.22Å; A145-L206 HydrophobicContact CB-CD2 4.05Å; A145-L206 HydrophobicContact CB-CG 4.29Å; F150-L206 HydrophobicContact CD1-CD2 4.32Å; F150-L206 HydrophobicContact CE1-CD1 4.44Å; F150-L206 HydrophobicContact CE1-CD2 3.46Å; F150-L206 VanDerWaalsContact CE1-CD2 3.46Å; F150-L206 HydrophobicContact CZ-CD1 4.1Å; F150-L206 HydrophobicContact CZ-CD2 3.88Å; L155-L206 HydrophobicContact CD2-CD2 4.04Å; F158-L206 HydrophobicContact CD2-CD1 4.18Å; F158-L206 HydrophobicContact CE1-CD1 4.24Å; F158-L206 HydrophobicContact CE2-CD1 3.89Å; F158-L206 HydrophobicContact CG-CD1 4.48Å; F158-L206 HydrophobicContact CZ-CD1 3.93Å; V184-L206 HydrophobicContact CG1-CB 4.09Å; D185-L206 CarbonylContact O-C 3.59Å; D185-L206 WeakPolarHBondContact O-CA 3.44Å; I186-L206 HydrophobicContact CG1-CD2 3.94Å; L206-I208 HydrophobicContact CB-CG1 4.47Å
207	R	95	Very high	88.3	Confident	80 Å²	80	45.1 Å²	45.1	30%	0.302	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	111.5	166.3	-176.9	-176	-178.7	-177.8	1.7	107.9	Y140 Y142 V184 D185	Y140-R207 VanDerWaalsContact CD1-NH2 3.29Å; Y140-R207 HydrophobicContact CD2-CG 3.97Å; Y140-R207 HydrophobicContact CG-CG 4.28Å; Y142-R207 HydrophobicContact CD1-CB 3.87Å; Y142-R207 HydrophobicContact CD1-CG 4.18Å; Y142-R207 HydrophobicContact CE1-CB 3.71Å; Y142-R207 HydrophobicContact CE1-CG 3.7Å; V184-R207 WeakPolarHBondContact CA-O 3.39Å; D185-R207 HydrophobicContact CB-CB 4.41Å; D185-R207 PolarHBondContact N-O 3.25Å; D185-R207 PolarHBondContact O-N 3.18Å
208	I	96.6	Very high	88.5	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	111	-179.3	-58	171.2	0	0	0	108.1	Y140 F141 V143 F158 L162 V181 V184 L206 M210 L223	Y140-I208 WeakPolarHBondContact CA-O 3.37Å; Y140-I208 VanDerWaalsContact CB-O 3.3Å; Y140-I208 WeakPolarHBondContact CB-O 3.48Å; F141-I208 HydrophobicContact CD1-CB 4.37Å; F141-I208 HydrophobicContact CE1-CB 3.96Å; F141-I208 HydrophobicContact CE1-CG2 3.89Å; F141-I208 HydrophobicContact CE2-CD1 3.98Å; F141-I208 HydrophobicContact CZ-CB 4.08Å; F141-I208 HydrophobicContact CZ-CD1 3.82Å; F141-I208 HydrophobicContact CZ-CG2 4.13Å; F141-I208 PolarHBondContact N-O 2.94Å; F141-I208 VanDerWaalsContact N-O 3.13Å; F141-I208 PolarHBondContact O-N 3.12Å; V143-I208 HydrophobicContact CG1-CD1 4.27Å; V143-I208 HydrophobicContact CG2-CD1 3.73Å; V143-I208 HydrophobicContact CG2-CG1 4.47Å; F158-I208 HydrophobicContact CE1-CD1 3.88Å; F158-I208 HydrophobicContact CE1-CG1 4.34Å; F158-I208 HydrophobicContact CZ-CD1 4.21Å; L162-I208 HydrophobicContact CD2-CD1 4.03Å; L162-I208 HydrophobicContact CD2-CG2 3.8Å; V181-I208 HydrophobicContact CG1-CG2 4.06Å; V184-I208 HydrophobicContact CG1-CG1 4.36Å; L206-I208 HydrophobicContact CB-CG1 4.47Å; I208-M210 HydrophobicContact CG2-SD 3.74Å; I208-L223 HydrophobicContact CD1-CD1 3.8Å
209	T	96	Very high	89.1	Confident	17 Å²	17	43.6 Å²	43.6	10%	0.104	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	121.9	177.3	-56.5	0	0	0	0	109.6	A138 L182 A183	A138-T209 HydrophobicContact CB-CG2 3.55Å; L182-T209 HydrophobicContact CB-CG2 4.15Å; L182-T209 HydrophobicContact CD1-CG2 4.26Å; L182-T209 PolarHBondContact N-O 3.49Å; A183-T209 PolarHBondContact N-O 2.9Å; A183-T209 PolarHBondContact O-N 2.74Å
210	M	94.7	Very high	89.9	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	151.9	-176.5	-60.2	-58.8	-65.6	0	0	110.9	P139 F141 T180 V181 I208 L215 I216 A219	P139-M210 VanDerWaalsContact CD-O 3.29Å; P139-M210 WeakPolarHBondContact CD-O 3.45Å; P139-M210 HydrophobicContact CG-CB 4.27Å; P139-M210 WeakPolarHBondContact CG-O 3.42Å; P139-M210 PolarHBondContact O-N 3.49Å; F141-M210 HydrophobicContact CD1-CG 4.28Å; F141-M210 HydrophobicContact CE1-CG 3.94Å; F141-M210 HydrophobicContact CE1-SD 4.08Å; T180-M210 WeakPolarHBondContact O-CA 3.28Å; T180-M210 WeakPolarHBondContact O-CE 3.37Å; V181-M210 HydrophobicContact CG2-CE 4.2Å; V181-M210 HydrophobicContact CG2-SD 4.02Å; I208-M210 HydrophobicContact CG2-SD 3.74Å; M210-L215 HydrophobicContact CE-CB 3.66Å; M210-I216 HydrophobicContact CG-CG1 4.14Å; M210-A219 HydrophobicContact CE-CB 3.8Å; M210-A219 HydrophobicContact SD-CB 4.21Å
211	A	92	Very high	91	Very high	3 Å²	3	43.1 Å²	43.1	3%	0.025	21%	0.21	C	C	.	.	S	Bend	trans	-69.9	-31.6	178.2	0	0	0	0	0	113	P116 I179 T180 L182 L215	P116-A211 WeakPolarHBondContact CD-O 3.4Å; I179-A211 VanDerWaalsContact O-CB 3.23Å; I179-A211 WeakPolarHBondContact O-CB 3.35Å; T180-A211 PolarHBondContact O-N 3.41Å; L182-A211 HydrophobicContact CD2-CB 3.88Å; L182-A211 HydrophobicContact CG-CB 4.14Å; A211-L215 HydrophobicContact CB-CD1 4.45Å
212	M	91.1	Very high	91.9	Very high	5 Å²	5	35.8 Å²	35.8	3%	0.025	18%	0.184	C	C	.	.	S	Bend	trans	-142.1	147.2	-177.6	-61	-174.8	-170.7	0	0	112.3	L100 K114 P139 D175 I177 R214 L215	L100-M212 HydrophobicContact CD1-SD 4.17Å; K114-M212 HydrophobicContact CB-CE 4.47Å; P139-M212 VanDerWaalsContact CG-C 3.47Å; D175-M212 HydrophobicContact CB-CE 4.2Å; I177-M212 HydrophobicContact CD1-CE 3.29Å; I177-M212 HydrophobicContact CD1-CG 4.48Å; I177-M212 HydrophobicContact CD1-SD 3.39Å; I177-M212 WeakPolarHBondContact CD1-SD 3.47Å; I177-M212 HydrophobicContact CG1-CE 3.49Å; I177-M212 VanDerWaalsContact CG1-CE 3.49Å; I177-M212 HydrophobicContact CG1-SD 4.28Å; M212-R214 VanDerWaalsContact C-N 3.29Å; M212-R214 HydrophobicContact CB-CG 4.27Å; M212-R214 PolarHBondContact O-N 2.8Å; M212-L215 HydrophobicContact CB-CD1 4Å; M212-L215 HydrophobicContact CB-CG 4.1Å; M212-L215 HydrophobicContact CG-CD1 4.39Å; M212-L215 WeakPolarHBondContact O-CB 3.44Å; M212-L215 PolarHBondContact O-N 3.41Å
213	P	92.7	Very high	92.6	Very high	21 Å²	21	32 Å²	32	14%	0.136	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-60	-38.6	-177	-27.8	35.8	0	0	0	113.1	Y98 P139 L215 I216 F246	Y98-P213 HydrophobicContact CE2-CG 4.05Å; P139-P213 HydrophobicContact CB-CB 4.43Å; P139-P213 HydrophobicContact CB-CG 4.26Å; P139-P213 HydrophobicContact CG-CB 4.48Å; P139-P213 HydrophobicContact CG-CG 4.03Å; P213-L215 PolarHBondContact O-N 2.83Å; P213-L215 VanDerWaalsContact O-N 3.09Å; P213-I216 PolarHBondContact O-N 3.43Å; P213-F246 HydrophobicContact CB-CB 4.16Å; P213-F246 HydrophobicContact CB-CG 4.35Å; P213-F246 HydrophobicContact CG-CB 4.02Å; P213-F246 HydrophobicContact CG-CD1 3.94Å; P213-F246 HydrophobicContact CG-CD2 3.95Å; P213-F246 HydrophobicContact CG-CE1 4.37Å; P213-F246 HydrophobicContact CG-CE2 4.38Å; P213-F246 HydrophobicContact CG-CG 3.7Å
214	R	91.9	Very high	93	Very high	122 Å²	122	31.2 Å²	31.2	46%	0.46	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-61.9	-18.3	178.8	72.1	178.5	-173.4	-165.6	-1.4	114.2	D175 M212 P218	D175-R214 IonicContact OD2-CZ 3.62Å; D175-R214 VanDerWaalsContact OD2-CZ 3.24Å; D175-R214 IonicContact OD2-NH1 2.81Å; D175-R214 PolarHBondContact OD2-NH1 3.01Å; D175-R214 IonicContact OD2-NH2 3.96Å; D175-R214 PolarHBondContact OD2-NH2 3.47Å; M212-R214 VanDerWaalsContact C-N 3.29Å; M212-R214 HydrophobicContact CB-CG 4.27Å; M212-R214 PolarHBondContact O-N 2.8Å; R214-P218 VanDerWaalsContact O-CD 3.27Å; R214-P218 WeakPolarHBondContact O-CD 3.48Å
215	L	92.6	Very high	93.1	Very high	5 Å²	5	35 Å²	35	3%	0.026	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-84.7	-12	-178.5	-61.7	174.1	0	0	0	113.1	V166 M170 I177 T180 M210 A211 M212 P213 A217 P218 A219	V166-L215 HydrophobicContact CG1-CD2 4.39Å; M170-L215 HydrophobicContact SD-CD2 4.18Å; I177-L215 HydrophobicContact CD1-CD1 4.37Å; T180-L215 HydrophobicContact CG2-CD1 3.94Å; M210-L215 HydrophobicContact CE-CB 3.66Å; A211-L215 HydrophobicContact CB-CD1 4.45Å; M212-L215 HydrophobicContact CB-CD1 4Å; M212-L215 HydrophobicContact CB-CG 4.1Å; M212-L215 HydrophobicContact CG-CD1 4.39Å; M212-L215 WeakPolarHBondContact O-CB 3.44Å; M212-L215 PolarHBondContact O-N 3.41Å; P213-L215 PolarHBondContact O-N 2.83Å; P213-L215 VanDerWaalsContact O-N 3.09Å; L215-A217 PolarHBondContact O-N 3.46Å; L215-P218 VanDerWaalsContact O-CD 3.32Å; L215-P218 WeakPolarHBondContact O-CD 3.25Å; L215-P218 WeakPolarHBondContact O-CG 3.5Å; L215-A219 VanDerWaalsContact O-CB 3.29Å; L215-A219 WeakPolarHBondContact O-CB 3.27Å; L215-A219 PolarHBondContact O-N 3.47Å
216	I	94.2	Very high	93	Very high	19 Å²	19	36.4 Å²	36.4	10%	0.097	18%	0.182	C	C	.	.	H	α-helix	trans	-61.1	-45.9	174.9	-65.1	-178.8	0	0	0	110.7	P139 F141 M210 P213 A219 K220 A242	P139-I216 HydrophobicContact CB-CD1 4.01Å; F141-I216 HydrophobicContact CB-CG2 4.5Å; F141-I216 HydrophobicContact CD1-CG1 4.24Å; F141-I216 HydrophobicContact CD1-CG2 3.97Å; F141-I216 HydrophobicContact CG-CG2 4.29Å; M210-I216 HydrophobicContact CG-CG1 4.14Å; P213-I216 PolarHBondContact O-N 3.43Å; I216-A219 PolarHBondContact O-N 3.02Å; I216-K220 VanDerWaalsContact O-CB 3.25Å; I216-K220 WeakPolarHBondContact O-CB 3.38Å; I216-K220 PolarHBondContact O-N 3.03Å; I216-A242 HydrophobicContact CG2-CB 3.8Å; I216-A242 WeakPolarHBondContact CG2-O 3.48Å
217	A	92.6	Very high	92.9	Very high	66 Å²	66	36.7 Å²	36.7	55%	0.545	18%	0.184	S	C	.	.	H	α-helix	trans	-59.7	-50.4	-176.5	0	0	0	0	0	113.9	L215 R221	L215-A217 PolarHBondContact O-N 3.46Å; A217-R221 PolarHBondContact O-N 3.34Å; A217-R221 VanDerWaalsContact O-N 3.09Å
218	P	92.9	Very high	92.6	Very high	27 Å²	27	39.2 Å²	39.2	18%	0.175	20%	0.197	C	C	.	.	H	α-helix	trans	-65.9	-42.2	175.2	23.5	-32.1	0	0	0	112.3	D169 R214 L215 K220 R221 L222	D169-P218 WeakPolarHBondContact OD2-CB 3.24Å; R214-P218 VanDerWaalsContact O-CD 3.27Å; R214-P218 WeakPolarHBondContact O-CD 3.48Å; L215-P218 VanDerWaalsContact O-CD 3.32Å; L215-P218 WeakPolarHBondContact O-CD 3.25Å; L215-P218 WeakPolarHBondContact O-CG 3.5Å; P218-K220 PolarHBondContact O-N 2.92Å; P218-R221 PolarHBondContact O-N 2.96Å; P218-L222 WeakPolarHBondContact O-CD1 3.5Å; P218-L222 VanDerWaalsContact O-CG 3.29Å; P218-L222 WeakPolarHBondContact O-CG 3.34Å; P218-L222 PolarHBondContact O-N 3.41Å
219	A	94	Very high	92.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58.8	-47.2	177.9	0	0	0	0	0	111.9	F141 V166 M210 L215 I216 R221 L222 L223	F141-A219 HydrophobicContact CE1-CB 4.2Å; F141-A219 HydrophobicContact CZ-CB 4.09Å; V166-A219 HydrophobicContact CG2-CB 3.94Å; M210-A219 HydrophobicContact CE-CB 3.8Å; M210-A219 HydrophobicContact SD-CB 4.21Å; L215-A219 VanDerWaalsContact O-CB 3.29Å; L215-A219 WeakPolarHBondContact O-CB 3.27Å; L215-A219 PolarHBondContact O-N 3.47Å; I216-A219 PolarHBondContact O-N 3.02Å; A219-R221 PolarHBondContact O-N 3.41Å; A219-L222 PolarHBondContact O-N 3.39Å; A219-L223 WeakPolarHBondContact O-CB 3.44Å; A219-L223 WeakPolarHBondContact O-CD1 3.08Å; A219-L223 VanDerWaalsContact O-CG 3.25Å; A219-L223 WeakPolarHBondContact O-CG 3.48Å; A219-L223 PolarHBondContact O-N 3.46Å
220	K	93.8	Very high	91.6	Very high	40 Å²	40	40.2 Å²	40.2	17%	0.174	21%	0.209	C	C	.	.	H	α-helix	trans	-53.6	-52.8	172.6	172.9	-172.5	176.5	-163.4	0	111.4	I216 P218 L222 L223 E224 A239 A242	I216-K220 VanDerWaalsContact O-CB 3.25Å; I216-K220 WeakPolarHBondContact O-CB 3.38Å; I216-K220 PolarHBondContact O-N 3.03Å; P218-K220 PolarHBondContact O-N 2.92Å; K220-L222 VanDerWaalsContact C-N 3.33Å; K220-L222 PolarHBondContact O-N 2.96Å; K220-L223 PolarHBondContact O-N 3.28Å; K220-E224 WeakPolarHBondContact CE-OE1 3.46Å; K220-E224 WeakPolarHBondContact CE-OE2 3.24Å; K220-E224 HydrophobicContact CG-CG 4.41Å; K220-E224 IonicContact NZ-OE1 3.23Å; K220-E224 WeakPolarHBondContact O-CB 3.32Å; K220-E224 WeakPolarHBondContact O-CG 3.5Å; K220-E224 PolarHBondContact O-N 2.99Å; K220-A239 HydrophobicContact CB-CB 4.44Å; K220-A239 HydrophobicContact CD-CB 4.17Å; K220-A239 HydrophobicContact CG-CB 3.71Å; K220-A242 HydrophobicContact CB-CB 4.47Å; K220-A242 HydrophobicContact CD-CB 3.93Å; K220-A242 HydrophobicContact CG-CB 4.42Å
221	R	93.4	Very high	91.1	Very high	107 Å²	107	44.7 Å²	44.7	40%	0.404	24%	0.238	S	C	.	.	H	α-helix	trans	-58.7	-45.6	-176.9	177.5	-175.7	65	-177.1	1	111.5	D169 A217 P218 A219 E224 Q225	D169-R221 IonicContact OD1-NH2 2.65Å; D169-R221 PolarHBondContact OD1-NH2 3.01Å; D169-R221 IonicContact OD2-CZ 3.21Å; D169-R221 IonicContact OD2-NH2 2.82Å; D169-R221 PolarHBondContact OD2-NH2 3.43Å; A217-R221 PolarHBondContact O-N 3.34Å; A217-R221 VanDerWaalsContact O-N 3.09Å; P218-R221 PolarHBondContact O-N 2.96Å; A219-R221 PolarHBondContact O-N 3.41Å; R221-E224 PolarHBondContact O-N 3.27Å; R221-Q225 HydrophobicContact CG-CG 4.41Å; R221-Q225 WeakPolarHBondContact O-CB 3.4Å; R221-Q225 VanDerWaalsContact O-CG 3.28Å; R221-Q225 WeakPolarHBondContact O-CG 3.3Å; R221-Q225 PolarHBondContact O-N 3.28Å
222	L	93.3	Very high	90.8	Very high	25 Å²	25	45.4 Å²	45.4	13%	0.131	24%	0.241	C	C	.	.	H	α-helix	trans	-64.9	-40.8	-179.5	-69.2	161.8	0	0	0	111.4	V165 V166 D169 P218 A219 K220 G226	V165-L222 HydrophobicContact CG1-CD1 3.96Å; V165-L222 HydrophobicContact CG1-CD2 3.94Å; V165-L222 HydrophobicContact CG1-CG 4.37Å; V166-L222 HydrophobicContact CG2-CD1 3.93Å; D169-L222 HydrophobicContact CB-CD1 3.99Å; P218-L222 WeakPolarHBondContact O-CD1 3.5Å; P218-L222 VanDerWaalsContact O-CG 3.29Å; P218-L222 WeakPolarHBondContact O-CG 3.34Å; P218-L222 PolarHBondContact O-N 3.41Å; A219-L222 PolarHBondContact O-N 3.39Å; K220-L222 VanDerWaalsContact C-N 3.33Å; K220-L222 PolarHBondContact O-N 2.96Å; L222-G226 PolarHBondContact O-N 3.18Å
223	L	93.1	Very high	90.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.5	-38.6	175.1	-73.3	169	0	0	0	112.5	F141 V143 F158 L162 I208 A219 K220 F227 Y237	F141-L223 HydrophobicContact CE2-CD1 3.8Å; F141-L223 HydrophobicContact CZ-CD1 3.71Å; V143-L223 HydrophobicContact CG1-CD1 4.21Å; F158-L223 HydrophobicContact CZ-CD2 3.98Å; L162-L223 HydrophobicContact CD1-CD1 4.32Å; L162-L223 HydrophobicContact CD1-CD2 4.09Å; L162-L223 HydrophobicContact CD1-CG 4.05Å; L162-L223 HydrophobicContact CD2-CD1 4.33Å; I208-L223 HydrophobicContact CD1-CD1 3.8Å; A219-L223 WeakPolarHBondContact O-CB 3.44Å; A219-L223 WeakPolarHBondContact O-CD1 3.08Å; A219-L223 VanDerWaalsContact O-CG 3.25Å; A219-L223 WeakPolarHBondContact O-CG 3.48Å; A219-L223 PolarHBondContact O-N 3.46Å; K220-L223 PolarHBondContact O-N 3.28Å; L223-F227 HydrophobicContact CD2-CB 3.95Å; L223-F227 HydrophobicContact CD2-CD1 3.77Å; L223-F227 HydrophobicContact CD2-CD2 4.37Å; L223-F227 HydrophobicContact CD2-CE1 4.36Å; L223-F227 HydrophobicContact CD2-CG 3.78Å; L223-Y237 HydrophobicContact CB-CD2 4.5Å; L223-Y237 HydrophobicContact CD2-CD2 3.96Å; L223-Y237 HydrophobicContact CD2-CE2 4.41Å; L223-Y237 HydrophobicContact CD2-CG 4.39Å; L223-Y237 PolarHBondContact O-N 3.02Å
224	E	91.7	Very high	90.3	Very high	53 Å²	53	54.3 Å²	54.3	25%	0.248	29%	0.291	C	S	.	.	H	α-helix	trans	-74.5	-30	178.8	-75.2	179.9	172.8	0	0	113.2	K220 R221 G226 S236 Y237	K220-E224 WeakPolarHBondContact CE-OE1 3.46Å; K220-E224 WeakPolarHBondContact CE-OE2 3.24Å; K220-E224 HydrophobicContact CG-CG 4.41Å; K220-E224 IonicContact NZ-OE1 3.23Å; K220-E224 WeakPolarHBondContact O-CB 3.32Å; K220-E224 WeakPolarHBondContact O-CG 3.5Å; K220-E224 PolarHBondContact O-N 2.99Å; R221-E224 PolarHBondContact O-N 3.27Å; E224-G226 VanDerWaalsContact C-N 3.32Å; E224-S236 WeakPolarHBondContact O-CB 3.33Å; E224-S236 PolarHBondContact O-OG 2.76Å; E224-Y237 VanDerWaalsContact CG-O 3.3Å; E224-Y237 WeakPolarHBondContact CG-O 3.19Å
225	Q	90.6	Very high	90.2	Very high	145 Å²	145	51 Å²	51	68%	0.678	28%	0.281	S	S	*	.	H	α-helix	trans	-78.7	-15.2	180	-74.8	176	-11.9	0	0	113.9	R221	R221-Q225 HydrophobicContact CG-CG 4.41Å; R221-Q225 WeakPolarHBondContact O-CB 3.4Å; R221-Q225 VanDerWaalsContact O-CG 3.28Å; R221-Q225 WeakPolarHBondContact O-CG 3.3Å; R221-Q225 PolarHBondContact O-N 3.28Å
226	G	87.7	Confident	90	Very high	29 Å²	29	54.7 Å²	54.7	30%	0.299	31%	0.307	S	S	.	.			trans	123.1	118	-179.2	0	0	0	0	0	110.9	L222 E224 Q235	L222-G226 PolarHBondContact O-N 3.18Å; E224-G226 VanDerWaalsContact C-N 3.32Å; G226-Q235 WeakPolarHBondContact CA-O 3.33Å
227	F	91.8	Very high	89.8	Confident	6 Å²	6	54.1 Å²	54.1	3%	0.026	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	134	-177.2	176.4	-105.7	0	0	0	110.8	F158 E161 L162 V165 L223 F229 Q235 Y237	F158-F227 HydrophobicContact CD2-CD1 4.46Å; F158-F227 AromaticContact CD2-CE1 3.72Å; F158-F227 HydrophobicContact CD2-CE1 3.72Å; F158-F227 HydrophobicContact CE1-CE1 4.45Å; F158-F227 AromaticContact CE2-CD1 3.88Å; F158-F227 HydrophobicContact CE2-CD1 3.88Å; F158-F227 AromaticContact CE2-CE1 3.5Å; F158-F227 HydrophobicContact CE2-CE1 3.5Å; F158-F227 HydrophobicContact CG-CE1 4.29Å; F158-F227 HydrophobicContact CZ-CD1 4.29Å; F158-F227 AromaticContact CZ-CE1 3.9Å; F158-F227 HydrophobicContact CZ-CE1 3.9Å; E161-F227 HydrophobicContact CB-CE2 4.37Å; E161-F227 HydrophobicContact CB-CZ 3.94Å; E161-F227 HydrophobicContact CG-CE2 3.99Å; E161-F227 HydrophobicContact CG-CZ 3.98Å; L162-F227 HydrophobicContact CB-CE2 4.2Å; L162-F227 HydrophobicContact CB-CZ 3.89Å; L162-F227 HydrophobicContact CD1-CE2 4.2Å; L162-F227 HydrophobicContact CD1-CZ 4.49Å; V165-F227 HydrophobicContact CG2-CE2 4.42Å; L223-F227 HydrophobicContact CD2-CB 3.95Å; L223-F227 HydrophobicContact CD2-CD1 3.77Å; L223-F227 HydrophobicContact CD2-CD2 4.37Å; L223-F227 HydrophobicContact CD2-CE1 4.36Å; L223-F227 HydrophobicContact CD2-CG 3.78Å; F227-F229 HydrophobicContact CD1-CD1 4.04Å; F227-F229 HydrophobicContact CE1-CB 3.96Å; F227-F229 AromaticContact CE1-CD1 3.77Å; F227-F229 HydrophobicContact CE1-CD1 3.77Å; F227-F229 HydrophobicContact CE1-CG 4.04Å; F227-F229 HydrophobicContact CZ-CB 4.21Å; F227-Q235 PolarHBondContact N-O 3.25Å; F227-Q235 PolarHBondContact O-N 2.85Å; F227-Y237 HydrophobicContact CB-CD2 4.13Å; F227-Y237 HydrophobicContact CB-CE2 3.84Å; F227-Y237 AromaticContact CD1-CE2 3.82Å; F227-Y237 HydrophobicContact CD1-CE2 3.82Å; F227-Y237 HydrophobicContact CG-CE2 4.33Å
228	K	88	Confident	89.7	Confident	133 Å²	133	55.4 Å²	55.4	58%	0.578	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117	136.7	-179.3	-170.8	-179.6	178.5	-179.3	0	109.6	E161 I234	E161-K228 WeakPolarHBondContact CG-O 3.31Å; K228-I234 HydrophobicContact CB-CG1 3.78Å; K228-I234 HydrophobicContact CD-CG1 4.11Å; K228-I234 HydrophobicContact CG-CG1 4.15Å
229	F	87.9	Confident	89.6	Confident	6 Å²	6	54.1 Å²	54.1	3%	0.026	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	146	172.2	73.4	-71.2	0	0	0	109	P146 F150 F158 E161 F227 F232 Y237	P146-F229 HydrophobicContact CG-CE1 4.11Å; P146-F229 HydrophobicContact CG-CZ 3.84Å; F150-F229 HydrophobicContact CD2-CE2 4.32Å; F150-F229 HydrophobicContact CD2-CZ 4.03Å; F150-F229 AromaticContact CE2-CE2 3.77Å; F150-F229 HydrophobicContact CE2-CE2 3.77Å; F150-F229 AromaticContact CE2-CZ 3.73Å; F150-F229 HydrophobicContact CE2-CZ 3.73Å; F158-F229 HydrophobicContact CB-CD2 3.94Å; F158-F229 HydrophobicContact CB-CE2 4.15Å; F158-F229 HydrophobicContact CB-CG 4.45Å; F158-F229 AromaticContact CD2-CD1 3.81Å; F158-F229 HydrophobicContact CD2-CD1 3.81Å; F158-F229 HydrophobicContact CD2-CD2 4.02Å; F158-F229 AromaticContact CD2-CE1 3.82Å; F158-F229 HydrophobicContact CD2-CE1 3.82Å; F158-F229 AromaticContact CD2-CE2 3.97Å; F158-F229 HydrophobicContact CD2-CE2 3.97Å; F158-F229 AromaticContact CD2-CG 3.95Å; F158-F229 HydrophobicContact CD2-CG 3.95Å; F158-F229 AromaticContact CD2-CZ 3.89Å; F158-F229 HydrophobicContact CD2-CZ 3.89Å; F158-F229 HydrophobicContact CE2-CD1 4.29Å; F158-F229 HydrophobicContact CE2-CE1 4.24Å; F158-F229 HydrophobicContact CG-CD2 4.46Å; E161-F229 HydrophobicContact CB-CB 4.12Å; E161-F229 HydrophobicContact CG-CB 4.25Å; F227-F229 HydrophobicContact CD1-CD1 4.04Å; F227-F229 HydrophobicContact CE1-CB 3.96Å; F227-F229 AromaticContact CE1-CD1 3.77Å; F227-F229 HydrophobicContact CE1-CD1 3.77Å; F227-F229 HydrophobicContact CE1-CG 4.04Å; F227-F229 HydrophobicContact CZ-CB 4.21Å; F229-F232 HydrophobicContact CD1-CB 4.41Å; F229-F232 HydrophobicContact CD2-CD2 4.33Å; F229-F232 HydrophobicContact CE1-CB 3.75Å; F229-F232 AromaticContact CE1-CD2 3.91Å; F229-F232 HydrophobicContact CE1-CD2 3.91Å; F229-F232 AromaticContact CE1-CG 3.97Å; F229-F232 HydrophobicContact CE1-CG 3.97Å; F229-F232 AromaticContact CE2-CD2 3.45Å; F229-F232 HydrophobicContact CE2-CD2 3.45Å; F229-F232 VanDerWaalsContact CE2-CD2 3.45Å; F229-F232 AromaticContact CE2-CE2 3.88Å; F229-F232 HydrophobicContact CE2-CE2 3.88Å; F229-F232 HydrophobicContact CE2-CG 4.33Å; F229-F232 HydrophobicContact CZ-CB 3.94Å; F229-F232 AromaticContact CZ-CD2 3.18Å; F229-F232 HydrophobicContact CZ-CD2 3.18Å; F229-F232 AromaticContact CZ-CE2 3.78Å; F229-F232 HydrophobicContact CZ-CE2 3.78Å; F229-F232 AromaticContact CZ-CG 3.63Å; F229-F232 HydrophobicContact CZ-CG 3.63Å; F229-F232 PolarHBondContact O-N 2.88Å; F229-Y237 WeakPolarHBondContact CE1-OH 3.29Å
230	G	84.3	Confident	89.5	Confident	32 Å²	32	54.6 Å²	54.6	33%	0.33	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	-138.3	176.2	0	0	0	0	0	114.7	E157 F232	E157-G230 WeakPolarHBondContact OE1-CA 3.45Å; E157-G230 PolarHBondContact OE1-N 2.64Å; E157-G230 VanDerWaalsContact OE2-CA 3.28Å; E157-G230 WeakPolarHBondContact OE2-CA 3.34Å; G230-F232 VanDerWaalsContact C-N 3.28Å; G230-F232 PolarHBondContact O-N 2.7Å
231	P	83.7	Confident	89.3	Confident	94 Å²	94	52.9 Å²	52.9	61%	0.61	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-1.8	-179.9	33.9	-35.5	0	0	0	113.8	Y154	Y154-P231 HydrophobicContact CE1-CG 3.92Å
232	F	86	Confident	89.2	Confident	19 Å²	19	48.5 Å²	48.5	8%	0.083	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	139.2	-176.1	-64.1	-87.9	0	0	0	111.1	P146 F150 Y154 F229 G230	P146-F232 HydrophobicContact CB-CD1 3.89Å; P146-F232 HydrophobicContact CB-CE1 3.92Å; F150-F232 HydrophobicContact CB-CE1 4.38Å; F150-F232 HydrophobicContact CB-CZ 4.04Å; F150-F232 HydrophobicContact CD2-CE1 4.49Å; F150-F232 AromaticContact CD2-CE2 3.92Å; F150-F232 HydrophobicContact CD2-CE2 3.92Å; F150-F232 AromaticContact CD2-CZ 3.81Å; F150-F232 HydrophobicContact CD2-CZ 3.81Å; F150-F232 HydrophobicContact CG-CZ 4.42Å; Y154-F232 HydrophobicContact CD1-CE2 4.15Å; Y154-F232 HydrophobicContact CD2-CE2 4.1Å; Y154-F232 HydrophobicContact CD2-CZ 4.32Å; Y154-F232 HydrophobicContact CE1-CE2 4.42Å; Y154-F232 HydrophobicContact CE2-CE2 4.36Å; Y154-F232 HydrophobicContact CE2-CZ 4.4Å; Y154-F232 AromaticContact CG-CE2 3.99Å; Y154-F232 HydrophobicContact CG-CE2 3.99Å; F229-F232 HydrophobicContact CD1-CB 4.41Å; F229-F232 HydrophobicContact CD2-CD2 4.33Å; F229-F232 HydrophobicContact CE1-CB 3.75Å; F229-F232 AromaticContact CE1-CD2 3.91Å; F229-F232 HydrophobicContact CE1-CD2 3.91Å; F229-F232 AromaticContact CE1-CG 3.97Å; F229-F232 HydrophobicContact CE1-CG 3.97Å; F229-F232 AromaticContact CE2-CD2 3.45Å; F229-F232 HydrophobicContact CE2-CD2 3.45Å; F229-F232 VanDerWaalsContact CE2-CD2 3.45Å; F229-F232 AromaticContact CE2-CE2 3.88Å; F229-F232 HydrophobicContact CE2-CE2 3.88Å; F229-F232 HydrophobicContact CE2-CG 4.33Å; F229-F232 HydrophobicContact CZ-CB 3.94Å; F229-F232 AromaticContact CZ-CD2 3.18Å; F229-F232 HydrophobicContact CZ-CD2 3.18Å; F229-F232 AromaticContact CZ-CE2 3.78Å; F229-F232 HydrophobicContact CZ-CE2 3.78Å; F229-F232 AromaticContact CZ-CG 3.63Å; F229-F232 HydrophobicContact CZ-CG 3.63Å; F229-F232 PolarHBondContact O-N 2.88Å; G230-F232 VanDerWaalsContact C-N 3.28Å; G230-F232 PolarHBondContact O-N 2.7Å
233	P	85.4	Confident	89	Confident	92 Å²	92	49.4 Å²	49.4	60%	0.597	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65	163.4	176.6	28.8	-34.7	0	0	0	111.2	Q235	P233-Q235 PolarHBondContact O-N 3.04Å; P233-Q235 VanDerWaalsContact O-N 3.09Å
234	I	88.1	Confident	88.9	Confident	121 Å²	121	50.4 Å²	50.4	62%	0.621	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.9	119.3	169.9	-65.7	162.1	0	0	0	107.6	K228	K228-I234 HydrophobicContact CB-CG1 3.78Å; K228-I234 HydrophobicContact CD-CG1 4.11Å; K228-I234 HydrophobicContact CG-CG1 4.15Å
235	Q	88.3	Confident	89	Confident	52 Å²	52	49.8 Å²	49.8	24%	0.243	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	151.8	176.3	66	-177.7	1.2	0	0	111	P146 G226 F227 P233 Y237	P146-Q235 VanDerWaalsContact CB-NE2 3.31Å; G226-Q235 WeakPolarHBondContact CA-O 3.33Å; F227-Q235 PolarHBondContact N-O 3.25Å; F227-Q235 PolarHBondContact O-N 2.85Å; P233-Q235 PolarHBondContact O-N 3.04Å; P233-Q235 VanDerWaalsContact O-N 3.09Å; Q235-Y237 HydrophobicContact CG-CD2 4.34Å; Q235-Y237 HydrophobicContact CG-CE1 4.22Å; Q235-Y237 HydrophobicContact CG-CE2 3.56Å; Q235-Y237 PolarHBondContact NE2-OH 3.07Å; Q235-Y237 WeakPolarHBondContact O-CD2 3.48Å; Q235-Y237 WeakPolarHBondContact O-CE2 3.31Å
236	S	89.9	Confident	89.2	Confident	82 Å²	82	43.4 Å²	43.4	57%	0.573	25%	0.25	S	C	*	.			trans	-89.6	134.1	174.7	178.6	0	0	0	0	109.5	E224	E224-S236 WeakPolarHBondContact O-CB 3.33Å; E224-S236 PolarHBondContact O-OG 2.76Å
237	Y	89.4	Confident	89.6	Confident	7 Å²	7	43.6 Å²	43.6	3%	0.027	24%	0.243	C	C	.	.			trans	-109.3	125.4	177.9	-60.4	-98.7	0	0	0	110	V143 P146 F158 L223 E224 F227 F229 Q235 A239	V143-Y237 HydrophobicContact CB-CD1 4.42Å; V143-Y237 HydrophobicContact CG2-CD1 4.35Å; P146-Y237 HydrophobicContact CG-CE1 4.03Å; F158-Y237 HydrophobicContact CE2-CE1 4.3Å; L223-Y237 HydrophobicContact CB-CD2 4.5Å; L223-Y237 HydrophobicContact CD2-CD2 3.96Å; L223-Y237 HydrophobicContact CD2-CE2 4.41Å; L223-Y237 HydrophobicContact CD2-CG 4.39Å; L223-Y237 PolarHBondContact O-N 3.02Å; E224-Y237 VanDerWaalsContact CG-O 3.3Å; E224-Y237 WeakPolarHBondContact CG-O 3.19Å; F227-Y237 HydrophobicContact CB-CD2 4.13Å; F227-Y237 HydrophobicContact CB-CE2 3.84Å; F227-Y237 AromaticContact CD1-CE2 3.82Å; F227-Y237 HydrophobicContact CD1-CE2 3.82Å; F227-Y237 HydrophobicContact CG-CE2 4.33Å; F229-Y237 WeakPolarHBondContact CE1-OH 3.29Å; Q235-Y237 HydrophobicContact CG-CD2 4.34Å; Q235-Y237 HydrophobicContact CG-CE1 4.22Å; Q235-Y237 HydrophobicContact CG-CE2 3.56Å; Q235-Y237 PolarHBondContact NE2-OH 3.07Å; Q235-Y237 WeakPolarHBondContact O-CD2 3.48Å; Q235-Y237 WeakPolarHBondContact O-CE2 3.31Å; Y237-A239 PolarHBondContact O-N 2.83Å
238	Q	89.6	Confident	89.8	Confident	94 Å²	94	43.4 Å²	43.4	44%	0.439	24%	0.242	S	C	.	.			trans	-74.2	124.5	170.9	-175.7	179.6	11.5	0	0	109.8	P144 Y240	P144-Q238 WeakPolarHBondContact CD-O 3.34Å; Q238-Y240 HydrophobicContact CB-CE2 4.04Å; Q238-Y240 HydrophobicContact CG-CD2 4.47Å; Q238-Y240 HydrophobicContact CG-CE2 3.82Å; Q238-Y240 WeakPolarHBondContact O-CD2 3.32Å; Q238-Y240 WeakPolarHBondContact O-CE2 3.46Å; Q238-Y240 PolarHBondContact OE1-OH 2.83Å
239	A	91.3	Very high	90.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.216	C	C	.	.			trans	-85.6	140.5	176.1	0	0	0	0	0	112.5	F141 K220 Y237 A242 V579	F141-A239 HydrophobicContact CD2-CB 4.31Å; K220-A239 HydrophobicContact CB-CB 4.44Å; K220-A239 HydrophobicContact CD-CB 4.17Å; K220-A239 HydrophobicContact CG-CB 3.71Å; Y237-A239 PolarHBondContact O-N 2.83Å; A239-A242 HydrophobicContact CB-CB 3.99Å; A239-V579 PolarHBondContact O-N 2.89Å
240	Y	91.4	Very high	90.5	Very high	9 Å²	9	37.1 Å²	37.1	4%	0.035	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-118.2	139.2	176.4	-67.4	-107.2	0	0	0	109	Y142 P144 F205 Q238 A242 V576 M577 P578	Y142-Y240 PolarHBondContact N-O 2.99Å; Y142-Y240 VanDerWaalsContact N-O 3.11Å; Y142-Y240 PolarHBondContact O-N 3.17Å; P144-Y240 HydrophobicContact CG-CE2 3.89Å; F205-Y240 HydrophobicContact CE1-CD1 4.48Å; F205-Y240 AromaticContact CE1-CD2 3.86Å; F205-Y240 HydrophobicContact CE1-CD2 3.86Å; F205-Y240 AromaticContact CE1-CE2 3.95Å; F205-Y240 HydrophobicContact CE1-CE2 3.95Å; F205-Y240 HydrophobicContact CE1-CG 4.17Å; Q238-Y240 HydrophobicContact CB-CE2 4.04Å; Q238-Y240 HydrophobicContact CG-CD2 4.47Å; Q238-Y240 HydrophobicContact CG-CE2 3.82Å; Q238-Y240 WeakPolarHBondContact O-CD2 3.32Å; Q238-Y240 WeakPolarHBondContact O-CE2 3.46Å; Q238-Y240 PolarHBondContact OE1-OH 2.83Å; Y240-A242 PolarHBondContact O-N 2.89Å; Y240-V576 HydrophobicContact CD1-CB 4.28Å; Y240-V576 HydrophobicContact CD1-CG2 3.69Å; Y240-V576 HydrophobicContact CE1-CG2 4.3Å; Y240-V576 HydrophobicContact CG-CG2 4.14Å; Y240-M577 CarbonylContact C-O 3.58Å; Y240-M577 WeakPolarHBondContact CA-O 3.33Å; Y240-P578 VanDerWaalsContact CD1-CA 3.5Å; Y240-P578 HydrophobicContact CD1-CB 3.86Å; Y240-P578 HydrophobicContact CE1-CB 3.71Å
241	E	91.3	Very high	91.1	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.019	20%	0.199	C	C	.	.	S	Bend	trans	55.1	17.8	179	-43.5	-165.7	159.7	0	0	116.2	Y142 N243 I244 R249 V576 M577	Y142-E241 HydrophobicContact CD2-CG 4.4Å; E241-N243 PolarHBondContact O-N 2.93Å; E241-I244 HydrophobicContact CB-CG1 4.17Å; E241-R249 VanDerWaalsContact CB-NH2 3.25Å; E241-R249 IonicContact OE2-CZ 3.91Å; E241-R249 VanDerWaalsContact OE2-CZ 3.23Å; E241-R249 IonicContact OE2-NH1 2.71Å; E241-R249 PolarHBondContact OE2-NH1 2.68Å; E241-R249 IonicContact OE2-NH2 2.84Å; E241-R249 PolarHBondContact OE2-NH2 2.85Å; E241-V576 WeakPolarHBondContact OE1-CA 3.49Å; E241-M577 HydrophobicContact CG-CB 4.08Å; E241-M577 WeakPolarHBondContact CG-O 3.49Å; E241-M577 PolarHBondContact N-O 2.93Å; E241-M577 PolarHBondContact OE1-N 2.97Å
242	A	90.1	Very high	91.7	Very high	16 Å²	16	31.3 Å²	31.3	13%	0.132	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	0.1	179.1	0	0	0	0	0	114.1	F141 I216 K220 A239 Y240 V579	F141-A242 HydrophobicContact CB-CB 3.97Å; F141-A242 HydrophobicContact CD2-CB 4.2Å; F141-A242 HydrophobicContact CG-CB 4.19Å; I216-A242 HydrophobicContact CG2-CB 3.8Å; I216-A242 WeakPolarHBondContact CG2-O 3.48Å; K220-A242 HydrophobicContact CB-CB 4.47Å; K220-A242 HydrophobicContact CD-CB 3.93Å; K220-A242 HydrophobicContact CG-CB 4.42Å; A239-A242 HydrophobicContact CB-CB 3.99Å; Y240-A242 PolarHBondContact O-N 2.89Å; A242-V579 HydrophobicContact CB-CG2 4.3Å
243	N	89.3	Confident	92.1	Very high	44 Å²	44	32 Å²	32	24%	0.235	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	23.8	-179.1	70	-18.1	0	0	0	113.1	E241 V579 K717	E241-N243 PolarHBondContact O-N 2.93Å; N243-V579 HydrophobicContact CB-CG1 4.37Å; N243-V579 HydrophobicContact CB-CG2 4.33Å; N243-K717 PolarHBondContact O-NZ 3.44Å
244	I	92.2	Very high	92.6	Very high	20 Å²	20	28.6 Å²	28.6	10%	0.103	15%	0.154	C	C	.	.	S	Bend	trans	-95.7	133.9	176.5	-57	-48.8	0	0	0	109.6	E241 I248 R249 V563 L567 M577	E241-I244 HydrophobicContact CB-CG1 4.17Å; I244-I248 HydrophobicContact CG2-CB 4.29Å; I244-I248 HydrophobicContact CG2-CG2 4.17Å; I244-R249 HydrophobicContact CG2-CB 4.19Å; I244-V563 HydrophobicContact CD1-CG1 4.04Å; I244-L567 HydrophobicContact CD1-CD1 3.71Å; I244-L567 HydrophobicContact CD1-CD2 4.3Å; I244-L567 HydrophobicContact CD1-CG 4.49Å; I244-L567 HydrophobicContact CG1-CD1 3.97Å; I244-L567 HydrophobicContact CG1-CD2 4.33Å; I244-L567 HydrophobicContact CG2-CD1 3.84Å; I244-M577 HydrophobicContact CD1-CE 3.55Å
245	D	92.7	Very high	92.9	Very high	40 Å²	40	27.8 Å²	27.8	21%	0.214	15%	0.151	C	C	.	.			trans	-66.4	142.3	177.5	-60.1	-21.6	0	0	0	109	E247 I248 R249 R556	D245-E247 VanDerWaalsContact C-N 3.31Å; D245-E247 PolarHBondContact O-N 3.16Å; D245-I248 HydrophobicContact CB-CB 4.42Å; D245-I248 HydrophobicContact CB-CG1 4.1Å; D245-I248 PolarHBondContact O-N 3.35Å; D245-R249 PolarHBondContact O-N 2.84Å; D245-R556 IonicContact OD1-NH2 2.75Å; D245-R556 IonicContact OD2-CZ 2.75Å; D245-R556 IonicContact OD2-NH2 2.67Å; D245-R556 PolarHBondContact OD2-NH2 3.16Å
246	F	95.4	Very high	93.2	Very high	11 Å²	11	25.3 Å²	25.3	5%	0.048	14%	0.139	C	C	.	.	H	α-helix	trans	-63.2	-38.5	-170.4	178.8	-120.3	0	0	0	112.5	Y98 P116 I118 F137 P139 P213 R249 F250	Y98-F246 AromaticContact CD1-CD1 3.88Å; Y98-F246 HydrophobicContact CD1-CD1 3.88Å; Y98-F246 HydrophobicContact CD2-CD1 4.03Å; Y98-F246 HydrophobicContact CD2-CE1 4.27Å; Y98-F246 HydrophobicContact CE1-CD1 4.35Å; Y98-F246 HydrophobicContact CE2-CD1 4.49Å; Y98-F246 AromaticContact CG-CD1 3.7Å; Y98-F246 HydrophobicContact CG-CD1 3.7Å; Y98-F246 HydrophobicContact CG-CE1 4.1Å; P116-F246 HydrophobicContact CB-CE1 3.88Å; P116-F246 HydrophobicContact CB-CZ 3.89Å; P116-F246 HydrophobicContact CG-CZ 4.15Å; I118-F246 HydrophobicContact CD1-CD1 3.96Å; I118-F246 HydrophobicContact CD1-CE1 3.68Å; I118-F246 HydrophobicContact CD1-CZ 4.47Å; I118-F246 HydrophobicContact CG1-CE1 4.1Å; F137-F246 HydrophobicContact CD1-CD2 4.34Å; F137-F246 AromaticContact CD1-CE2 3.44Å; F137-F246 HydrophobicContact CD1-CE2 3.44Å; F137-F246 VanDerWaalsContact CD1-CE2 3.44Å; F137-F246 AromaticContact CD1-CZ 3.57Å; F137-F246 HydrophobicContact CD1-CZ 3.57Å; F137-F246 HydrophobicContact CE1-CD2 4.21Å; F137-F246 AromaticContact CE1-CE2 3.68Å; F137-F246 HydrophobicContact CE1-CE2 3.68Å; F137-F246 HydrophobicContact CE1-CZ 4.25Å; P139-F246 HydrophobicContact CB-CD2 3.85Å; P139-F246 HydrophobicContact CB-CE2 3.95Å; P139-F246 HydrophobicContact CG-CE2 4.32Å; P213-F246 HydrophobicContact CB-CB 4.16Å; P213-F246 HydrophobicContact CB-CG 4.35Å; P213-F246 HydrophobicContact CG-CB 4.02Å; P213-F246 HydrophobicContact CG-CD1 3.94Å; P213-F246 HydrophobicContact CG-CD2 3.95Å; P213-F246 HydrophobicContact CG-CE1 4.37Å; P213-F246 HydrophobicContact CG-CE2 4.38Å; P213-F246 HydrophobicContact CG-CG 3.7Å; F246-R249 WeakPolarHBondContact O-CB 3.38Å; F246-R249 PolarHBondContact O-N 3.1Å; F246-F250 PolarHBondContact O-N 3.21Å
247	E	95.3	Very high	93.5	Very high	34 Å²	34	22.7 Å²	22.7	16%	0.159	12%	0.12	C	C	.	.	H	α-helix	trans	-63.9	-43.9	176.4	-57.8	91.8	150.2	0	0	111.1	L96 Y98 D245 R249 F250 M251	L96-E247 HydrophobicContact CD2-CB 3.74Å; L96-E247 HydrophobicContact CD2-CG 3.93Å; Y98-E247 HydrophobicContact CD1-CG 4.1Å; Y98-E247 VanDerWaalsContact CD1-OE1 3.25Å; Y98-E247 WeakPolarHBondContact CD1-OE1 3.46Å; Y98-E247 VanDerWaalsContact CE1-OE1 3.29Å; Y98-E247 WeakPolarHBondContact CE1-OE1 3.42Å; D245-E247 VanDerWaalsContact C-N 3.31Å; D245-E247 PolarHBondContact O-N 3.16Å; E247-R249 VanDerWaalsContact C-N 3.34Å; E247-F250 PolarHBondContact O-N 3.29Å; E247-M251 WeakPolarHBondContact O-CB 3.43Å; E247-M251 VanDerWaalsContact O-CG 3.23Å; E247-M251 WeakPolarHBondContact O-CG 3.28Å; E247-M251 PolarHBondContact O-N 2.92Å
248	I	95.3	Very high	93.7	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-64.6	-42.8	176	-61.5	-61.6	0	0	0	109.9	I244 D245 M251 V252 V548 Y552 I560 L567	I244-I248 HydrophobicContact CG2-CB 4.29Å; I244-I248 HydrophobicContact CG2-CG2 4.17Å; D245-I248 HydrophobicContact CB-CB 4.42Å; D245-I248 HydrophobicContact CB-CG1 4.1Å; D245-I248 PolarHBondContact O-N 3.35Å; I248-M251 PolarHBondContact O-N 2.72Å; I248-V252 HydrophobicContact CG2-CG2 4.21Å; I248-V252 WeakPolarHBondContact O-CG2 3.46Å; I248-V252 PolarHBondContact O-N 3.02Å; I248-V548 HydrophobicContact CD1-CB 4.46Å; I248-V548 HydrophobicContact CD1-CG1 4.33Å; I248-Y552 HydrophobicContact CD1-CD2 4.13Å; I248-Y552 HydrophobicContact CD1-CE2 3.86Å; I248-Y552 HydrophobicContact CG1-CE2 3.95Å; I248-I560 HydrophobicContact CG1-CD1 4.44Å; I248-L567 HydrophobicContact CG2-CD1 4.29Å
249	R	95.8	Very high	94	Very high	8 Å²	8	18 Å²	18	3%	0.03	10%	0.098	C	C	.	.	H	α-helix	trans	-58.1	-50.4	175.8	175.1	57.8	66.7	-167.7	2.2	111.4	F137 Y140 E241 I244 D245 F246 E247 M251 V252 D253	F137-R249 HydrophobicContact CE1-CG 4.07Å; F137-R249 HydrophobicContact CZ-CG 3.87Å; Y140-R249 HydrophobicContact CE1-CG 4.22Å; Y140-R249 WeakPolarHBondContact OH-CD 3.25Å; E241-R249 VanDerWaalsContact CB-NH2 3.25Å; E241-R249 IonicContact OE2-CZ 3.91Å; E241-R249 VanDerWaalsContact OE2-CZ 3.23Å; E241-R249 IonicContact OE2-NH1 2.71Å; E241-R249 PolarHBondContact OE2-NH1 2.68Å; E241-R249 IonicContact OE2-NH2 2.84Å; E241-R249 PolarHBondContact OE2-NH2 2.85Å; I244-R249 HydrophobicContact CG2-CB 4.19Å; D245-R249 PolarHBondContact O-N 2.84Å; F246-R249 WeakPolarHBondContact O-CB 3.38Å; F246-R249 PolarHBondContact O-N 3.1Å; E247-R249 VanDerWaalsContact C-N 3.34Å; R249-M251 VanDerWaalsContact C-N 3.33Å; R249-M251 PolarHBondContact O-N 2.92Å; R249-V252 PolarHBondContact O-N 3.39Å; R249-D253 WeakPolarHBondContact CD-OD1 3.38Å; R249-D253 IonicContact NH1-OD1 3.4Å; R249-D253 PolarHBondContact O-N 3.46Å
250	F	96.7	Very high	94.3	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-55.2	-48.5	176	170.7	-100.7	0	0	0	111.9	L96 I118 M120 V134 F137 F246 E247 V252 D253 S254 W299 F302	L96-F250 HydrophobicContact CD1-CD1 4.04Å; L96-F250 HydrophobicContact CD1-CE1 3.98Å; I118-F250 HydrophobicContact CD1-CB 4.02Å; I118-F250 HydrophobicContact CD1-CD1 4.25Å; I118-F250 HydrophobicContact CD1-CG 4.01Å; I118-F250 HydrophobicContact CG1-CB 4.39Å; I118-F250 HydrophobicContact CG1-CD1 4.31Å; I118-F250 HydrophobicContact CG1-CD2 4.02Å; I118-F250 HydrophobicContact CG1-CE2 4.39Å; I118-F250 HydrophobicContact CG1-CG 3.96Å; I118-F250 HydrophobicContact CG2-CD1 3.99Å; I118-F250 HydrophobicContact CG2-CE1 3.8Å; I118-F250 HydrophobicContact CG2-CG 4.48Å; I118-F250 HydrophobicContact CG2-CZ 4.12Å; M120-F250 HydrophobicContact SD-CE1 4.26Å; V134-F250 HydrophobicContact CB-CZ 4.46Å; V134-F250 HydrophobicContact CG1-CE2 3.93Å; V134-F250 HydrophobicContact CG1-CZ 4.04Å; V134-F250 HydrophobicContact CG2-CZ 4.44Å; F137-F250 HydrophobicContact CB-CD2 4.19Å; F137-F250 HydrophobicContact CD1-CB 3.84Å; F137-F250 AromaticContact CD1-CD2 3.85Å; F137-F250 HydrophobicContact CD1-CD2 3.85Å; F137-F250 HydrophobicContact CD1-CG 4.32Å; F137-F250 HydrophobicContact CD2-CD2 4.09Å; F137-F250 VanDerWaalsContact CE1-CA 3.47Å; F137-F250 HydrophobicContact CE1-CB 3.6Å; F137-F250 HydrophobicContact CE1-CD2 4.25Å; F137-F250 HydrophobicContact CE1-CG 4.45Å; F137-F250 HydrophobicContact CE2-CD2 4.46Å; F137-F250 AromaticContact CG-CD2 3.77Å; F137-F250 HydrophobicContact CG-CD2 3.77Å; F137-F250 HydrophobicContact CZ-CB 4.15Å; F246-F250 PolarHBondContact O-N 3.21Å; E247-F250 PolarHBondContact O-N 3.29Å; F250-V252 VanDerWaalsContact C-N 3.31Å; F250-V252 PolarHBondContact O-N 3.4Å; F250-D253 PolarHBondContact O-N 2.88Å; F250-S254 WeakPolarHBondContact O-CB 3.25Å; F250-S254 PolarHBondContact O-N 3.49Å; F250-S254 PolarHBondContact O-OG 2.83Å; F250-W299 HydrophobicContact CE2-CB 4.32Å; F250-F302 HydrophobicContact CE2-CE1 4.28Å; F250-F302 HydrophobicContact CE2-CZ 4.33Å; F250-F302 AromaticContact CZ-CE1 3.89Å; F250-F302 HydrophobicContact CZ-CE1 3.89Å; F250-F302 AromaticContact CZ-CZ 3.71Å; F250-F302 HydrophobicContact CZ-CZ 3.71Å
251	M	96.7	Very high	94.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63.8	-33.4	-179.8	-75.9	179.8	76.2	0	0	113.6	L96 E247 I248 R249 D255 V256 P549 R568	L96-M251 HydrophobicContact CD1-CG 3.95Å; L96-M251 HydrophobicContact CD1-SD 4.32Å; E247-M251 WeakPolarHBondContact O-CB 3.43Å; E247-M251 VanDerWaalsContact O-CG 3.23Å; E247-M251 WeakPolarHBondContact O-CG 3.28Å; E247-M251 PolarHBondContact O-N 2.92Å; I248-M251 PolarHBondContact O-N 2.72Å; R249-M251 VanDerWaalsContact C-N 3.33Å; R249-M251 PolarHBondContact O-N 2.92Å; M251-D255 PolarHBondContact O-N 3.22Å; M251-V256 CarbonylContact C-O 3.59Å; M251-V256 VanDerWaalsContact CB-O 3.3Å; M251-V256 WeakPolarHBondContact CB-O 3.37Å; M251-V256 HydrophobicContact CE-CG1 4.47Å; M251-V256 WeakPolarHBondContact CE-O 3.16Å; M251-V256 HydrophobicContact CG-CB 4.38Å; M251-V256 HydrophobicContact CG-CG1 4.21Å; M251-V256 PolarHBondContact O-N 2.97Å; M251-P549 HydrophobicContact CE-CG 4.5Å; M251-P549 HydrophobicContact SD-CG 3.69Å; M251-R568 PolarHBondContact O-NH1 2.88Å; M251-R568 PolarHBondContact O-NH2 3.03Å; M251-R568 VanDerWaalsContact O-NH2 3.17Å
252	V	95.5	Very high	94.9	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.024	10%	0.096	C	C	.	.	H	α-helix	trans	-73.2	-47.1	176	176.2	0	0	0	0	110.2	I248 R249 F250 S254 D255 L567 R568 M571	I248-V252 HydrophobicContact CG2-CG2 4.21Å; I248-V252 WeakPolarHBondContact O-CG2 3.46Å; I248-V252 PolarHBondContact O-N 3.02Å; R249-V252 PolarHBondContact O-N 3.39Å; F250-V252 VanDerWaalsContact C-N 3.31Å; F250-V252 PolarHBondContact O-N 3.4Å; V252-S254 VanDerWaalsContact C-N 3.34Å; V252-S254 PolarHBondContact O-N 3.4Å; V252-D255 PolarHBondContact O-N 3.2Å; V252-L567 HydrophobicContact CG1-CB 4.22Å; V252-L567 HydrophobicContact CG2-CB 4.19Å; V252-R568 HydrophobicContact CB-CG 4.33Å; V252-R568 HydrophobicContact CG1-CG 3.86Å; V252-R568 HydrophobicContact CG2-CG 3.91Å; V252-M571 HydrophobicContact CB-SD 4.43Å; V252-M571 HydrophobicContact CG1-CE 4.37Å; V252-M571 HydrophobicContact CG1-CG 4.42Å; V252-M571 HydrophobicContact CG1-SD 3.31Å; V252-M571 WeakPolarHBondContact CG1-SD 3.31Å
253	D	95.1	Very high	95.2	Very high	33 Å²	33	18 Å²	18	18%	0.176	10%	0.095	C	C	.	.	H	α-helix	trans	-69.1	-29.4	-175.9	-70.9	11.1	0	0	0	113.8	F137 Y140 R249 F250 M571	F137-D253 HydrophobicContact CE2-CB 4Å; F137-D253 WeakPolarHBondContact CE2-OD2 3.46Å; F137-D253 HydrophobicContact CZ-CB 4.16Å; F137-D253 WeakPolarHBondContact CZ-OD2 3.26Å; Y140-D253 WeakPolarHBondContact CE1-OD2 3.38Å; Y140-D253 VanDerWaalsContact OH-CG 3.3Å; Y140-D253 PolarHBondContact OH-OD1 3.35Å; Y140-D253 VanDerWaalsContact OH-OD1 3.06Å; Y140-D253 PolarHBondContact OH-OD2 2.95Å; R249-D253 WeakPolarHBondContact CD-OD1 3.38Å; R249-D253 IonicContact NH1-OD1 3.4Å; R249-D253 PolarHBondContact O-N 3.46Å; F250-D253 PolarHBondContact O-N 2.88Å; D253-M571 WeakPolarHBondContact OD1-CE 3.36Å
254	S	95.2	Very high	95.6	Very high	20 Å²	20	15.9 Å²	15.9	14%	0.14	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	7.2	-179.6	60	0	0	0	0	113.9	F250 V252 V256	F250-S254 WeakPolarHBondContact O-CB 3.25Å; F250-S254 PolarHBondContact O-N 3.49Å; F250-S254 PolarHBondContact O-OG 2.83Å; V252-S254 VanDerWaalsContact C-N 3.34Å; V252-S254 PolarHBondContact O-N 3.4Å; S254-V256 PolarHBondContact O-N 3.25Å; S254-V256 VanDerWaalsContact OG-CG2 3.31Å; S254-V256 WeakPolarHBondContact OG-CG2 3.45Å
255	D	94.5	Very high	95.9	Very high	105 Å²	105	16.3 Å²	16.3	56%	0.561	9%	0.088	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	26.1	-173.7	-79.7	-38.6	0	0	0	114.3	M251 V252 S304	M251-D255 PolarHBondContact O-N 3.22Å; V252-D255 PolarHBondContact O-N 3.2Å; D255-S304 PolarHBondContact O-OG 3.09Å
256	V	95.6	Very high	96	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.107	C	C	.	.			trans	-79	126.1	172.4	172.8	0	0	0	0	109.6	L96 M251 S254 I262 F302 S304 R568	L96-V256 HydrophobicContact CD1-CG1 4.47Å; M251-V256 CarbonylContact C-O 3.59Å; M251-V256 VanDerWaalsContact CB-O 3.3Å; M251-V256 WeakPolarHBondContact CB-O 3.37Å; M251-V256 HydrophobicContact CE-CG1 4.47Å; M251-V256 WeakPolarHBondContact CE-O 3.16Å; M251-V256 HydrophobicContact CG-CB 4.38Å; M251-V256 HydrophobicContact CG-CG1 4.21Å; M251-V256 PolarHBondContact O-N 2.97Å; S254-V256 PolarHBondContact O-N 3.25Å; S254-V256 VanDerWaalsContact OG-CG2 3.31Å; S254-V256 WeakPolarHBondContact OG-CG2 3.45Å; V256-I262 HydrophobicContact CG1-CD1 4.38Å; V256-I262 HydrophobicContact CG2-CD1 3.92Å; V256-F302 HydrophobicContact CG2-CE2 3.52Å; V256-F302 HydrophobicContact CG2-CZ 3.84Å; V256-S304 WeakPolarHBondContact CA-OG 3.32Å; V256-R568 PolarHBondContact O-NH2 2.81Å
257	V	95.1	Very high	95.9	Very high	27 Å²	27	23.3 Å²	23.3	16%	0.164	13%	0.133	C	C	.	.			trans	-109.4	165.8	171.5	-60	0	0	0	0	111	Q93 C259 C260	Q93-V257 PolarHBondContact NE2-O 3.27Å; V257-C259 PolarHBondContact O-N 3.46Å; V257-C260 HydrophobicContact CG2-CB 3.66Å; V257-C260 PolarHBondContact O-N 3.07Å; V257-C260 PolarHBondContact O-SG 3.41Å
258	G	94.8	Very high	95.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	136.3	177.1	0	0	0	0	0	111.1	C260 R544 V548	G258-C260 PolarHBondContact O-N 2.83Å; G258-R544 WeakPolarHBondContact O-CG 3.41Å; G258-R544 PolarHBondContact O-N 2.87Å; G258-V548 WeakPolarHBondContact CA-O 3.2Å
259	C	95.4	Very high	95.8	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.007	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	25.7	176.2	-54	0	0	0	0	115.3	Q92 Q93 V257 M540 R544	Q92-C259 PolarHBondContact NE2-O 3.39Å; Q93-C259 VanDerWaalsContact O-CA 3.24Å; Q93-C259 WeakPolarHBondContact O-CA 3.5Å; V257-C259 PolarHBondContact O-N 3.46Å; C259-M540 HydrophobicContact CB-CB 4.31Å; C259-M540 HydrophobicContact CB-CE 3.76Å; C259-M540 HydrophobicContact CB-CG 4.37Å; C259-R544 HydrophobicContact CB-CG 4.34Å; C259-R544 PolarHBondContact O-NE 2.78Å; C259-R544 VanDerWaalsContact O-NE 3.07Å; C259-R544 PolarHBondContact O-NH2 2.9Å
260	C	96	Very high	95.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.167	C	C	.	.			trans	-82.2	167	172.7	68.2	0	0	0	0	112.6	Q92 Q93 V257 G258	Q92-C260 WeakPolarHBondContact CA-O 3.29Å; Q93-C260 PolarHBondContact N-O 3.28Å; V257-C260 HydrophobicContact CG2-CB 3.66Å; V257-C260 PolarHBondContact O-N 3.07Å; V257-C260 PolarHBondContact O-SG 3.41Å; G258-C260 PolarHBondContact O-N 2.83Å
261	W	97.8	Very high	95.4	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.008	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	133.4	173.5	-73.8	90.9	0	0	0	110.1	V90 F91 Q92 D125 H305 W311 K313 A315	V90-W261 HydrophobicContact CG1-CE3 3.82Å; V90-W261 HydrophobicContact CG1-CZ3 4.26Å; F91-W261 VanDerWaalsContact C-CE3 3.41Å; Q92-W261 HydrophobicContact CB-CD2 3.92Å; Q92-W261 HydrophobicContact CB-CE3 4.07Å; Q92-W261 HydrophobicContact CB-CH2 4.16Å; Q92-W261 HydrophobicContact CB-CZ2 3.99Å; Q92-W261 HydrophobicContact CB-CZ3 4.2Å; D125-W261 HydrophobicContact CB-CH2 4.07Å; D125-W261 HydrophobicContact CB-CZ3 4.42Å; W261-H305 HydrophobicContact CB-CB 4.22Å; W261-H305 PolarHBondContact O-N 3.25Å; W261-W311 HydrophobicContact CB-CD2 4.39Å; W261-W311 HydrophobicContact CB-CE3 3.52Å; W261-W311 HydrophobicContact CB-CZ3 3.97Å; W261-W311 VanDerWaalsContact CD1-O 3.26Å; W261-W311 HydrophobicContact CD2-CE3 4.1Å; W261-W311 HydrophobicContact CD2-CZ3 4.29Å; W261-W311 HydrophobicContact CE3-CZ3 4.36Å; W261-W311 AromaticContact CG-CE3 3.59Å; W261-W311 HydrophobicContact CG-CE3 3.59Å; W261-W311 HydrophobicContact CG-CZ3 4.14Å; W261-K313 HydrophobicContact CZ2-CD 4.13Å; W261-K313 HydrophobicContact CZ2-CG 3.71Å; W261-K313 PolarHBondContact NE1-O 2.94Å; W261-A315 HydrophobicContact CH2-CB 4.08Å; W261-A315 HydrophobicContact CZ2-CB 4.19Å
262	I	98	Very high	95.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133.3	179.1	-56.7	-65.7	0	0	0	108	V90 F91 Q93 M120 V256 L264 F302 I303	V90-I262 WeakPolarHBondContact CA-O 3.24Å; F91-I262 HydrophobicContact CD1-CB 4.38Å; F91-I262 HydrophobicContact CE1-CB 3.92Å; F91-I262 HydrophobicContact CE1-CG2 3.87Å; F91-I262 HydrophobicContact CE2-CB 4.44Å; F91-I262 HydrophobicContact CZ-CB 3.96Å; F91-I262 HydrophobicContact CZ-CG1 4.43Å; F91-I262 HydrophobicContact CZ-CG2 4.03Å; F91-I262 PolarHBondContact N-O 2.84Å; F91-I262 PolarHBondContact O-N 2.92Å; Q93-I262 HydrophobicContact CB-CG1 4.29Å; Q93-I262 HydrophobicContact CG-CG1 4.29Å; M120-I262 HydrophobicContact CE-CG2 4.31Å; M120-I262 HydrophobicContact SD-CG1 4.46Å; V256-I262 HydrophobicContact CG1-CD1 4.38Å; V256-I262 HydrophobicContact CG2-CD1 3.92Å; I262-L264 HydrophobicContact CG2-CD2 4.08Å; I262-F302 HydrophobicContact CD1-CD2 4.35Å; I262-F302 HydrophobicContact CD1-CE2 4.25Å; I262-F302 HydrophobicContact CG2-CB 4.32Å; I262-F302 HydrophobicContact CG2-CD2 3.93Å; I262-F302 HydrophobicContact CG2-CG 4.39Å; I262-I303 WeakPolarHBondContact CA-O 3.26Å
263	E	97.8	Very high	94.6	Very high	27 Å²	27	40.9 Å²	40.9	13%	0.126	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	127.1	175.3	173.2	167.8	172.3	0	0	110.2	K88 L89 V90 P265 I303 H305	K88-E263 VanDerWaalsContact CD-OE1 3.24Å; K88-E263 WeakPolarHBondContact CD-OE1 3.43Å; K88-E263 IonicContact NZ-OE1 3.39Å; L89-E263 CarbonylContact O-C 3.54Å; L89-E263 WeakPolarHBondContact O-CA 3.28Å; V90-E263 HydrophobicContact CG2-CB 4.04Å; V90-E263 HydrophobicContact CG2-CG 3.87Å; E263-P265 WeakPolarHBondContact O-CD 3.32Å; E263-I303 HydrophobicContact CB-CB 4.26Å; E263-I303 PolarHBondContact N-O 3.18Å; E263-I303 PolarHBondContact O-N 3.35Å; E263-H305 WeakPolarHBondContact CB-NE2 3.31Å; E263-H305 IonicContact OE2-CD2 2.77Å; E263-H305 IonicContact OE2-CE1 2.71Å; E263-H305 IonicContact OE2-NE2 3.5Å; E263-H305 PolarHBondContact OE2-NE2 3.16Å
264	L	97.7	Very high	93.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	111.7	171.3	-48.5	-172.2	0	0	0	108.2	K88 L89 F91 I262 Y269 V295 V297 F302	K88-L264 WeakPolarHBondContact CA-O 3.38Å; L89-L264 HydrophobicContact CB-CB 4.2Å; L89-L264 HydrophobicContact CB-CD1 4.34Å; L89-L264 HydrophobicContact CB-CG 4.37Å; L89-L264 HydrophobicContact CD2-CD1 4.05Å; L89-L264 PolarHBondContact N-O 2.64Å; L89-L264 PolarHBondContact O-N 3.26Å; F91-L264 HydrophobicContact CE1-CD1 4.49Å; F91-L264 HydrophobicContact CE1-CD2 4.47Å; F91-L264 HydrophobicContact CE1-CG 4.34Å; I262-L264 HydrophobicContact CG2-CD2 4.08Å; L264-Y269 HydrophobicContact CB-CD1 3.71Å; L264-Y269 HydrophobicContact CB-CE1 4.28Å; L264-Y269 HydrophobicContact CB-CG 4.11Å; L264-Y269 HydrophobicContact CD1-CG 4.17Å; L264-V295 HydrophobicContact CD1-CB 4.37Å; L264-V295 HydrophobicContact CD1-CG2 3.57Å; L264-V297 HydrophobicContact CD2-CB 4.44Å; L264-V297 HydrophobicContact CD2-CG1 4.21Å; L264-V297 HydrophobicContact CD2-CG2 4.3Å; L264-F302 HydrophobicContact CD2-CB 3.58Å
265	P	96.8	Very high	92.7	Very high	30 Å²	30	48 Å²	48	20%	0.195	24%	0.24	C	C	.	.			trans	-66.8	154.5	-180	-20.6	33.4	0	0	0	112.7	E263 K268 Y269 D301 I303	E263-P265 WeakPolarHBondContact O-CD 3.32Å; P265-K268 HydrophobicContact CB-CB 4.34Å; P265-K268 HydrophobicContact CB-CG 4.07Å; P265-K268 WeakPolarHBondContact O-CB 3.2Å; P265-K268 PolarHBondContact O-N 3.34Å; P265-Y269 VanDerWaalsContact O-CD1 3.27Å; P265-Y269 WeakPolarHBondContact O-CD1 3.4Å; P265-D301 WeakPolarHBondContact CD-O 3.29Å; P265-I303 HydrophobicContact CG-CD1 3.94Å; P265-I303 HydrophobicContact CG-CG1 4.17Å
266	K	94.9	Very high	90.8	Very high	140 Å²	140	45.6 Å²	45.6	61%	0.609	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	138.9	173.3	65.3	-179.3	-180	179.2	0	112.2	S86 K268	S86-K266 WeakPolarHBondContact O-CB 3.34Å; K266-K268 PolarHBondContact O-N 2.96Å
267	G	93	Very high	88.7	Confident	58 Å²	58	52 Å²	52	60%	0.598	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	2.6	-178.9	0	0	0	0	0	115.3	P84	P84-G267 WeakPolarHBondContact O-CA 3.38Å; P84-G267 PolarHBondContact O-N 3.38Å
268	K	94.2	Very high	86.4	Confident	103 Å²	103	56.3 Å²	56.3	45%	0.448	30%	0.303	S	S	.	.	S	Bend	trans	-109.2	-12.5	-173.1	-68.5	-57.5	-159.7	151.4	0	115.2	P265 K266 D301	P265-K268 HydrophobicContact CB-CB 4.34Å; P265-K268 HydrophobicContact CB-CG 4.07Å; P265-K268 WeakPolarHBondContact O-CB 3.2Å; P265-K268 PolarHBondContact O-N 3.34Å; K266-K268 PolarHBondContact O-N 2.96Å; K268-D301 HydrophobicContact CB-CB 4.19Å; K268-D301 HydrophobicContact CD-CB 4.41Å; K268-D301 IonicContact NZ-OD1 3.7Å; K268-D301 PolarHBondContact NZ-OD1 3.23Å
269	Y	94.4	Very high	84.3	Confident	6 Å²	6	60.7 Å²	60.7	2%	0.024	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	164.1	176.9	66.2	-81.7	0	0	0	110.7	L82 P84 D87 L264 P265 V271 V295 D296	L82-Y269 WeakPolarHBondContact CD1-OH 3.28Å; L82-Y269 HydrophobicContact CD2-CE2 3.6Å; L82-Y269 HydrophobicContact CG-CE2 4.14Å; L82-Y269 WeakPolarHBondContact CG-OH 3.41Å; P84-Y269 HydrophobicContact CB-CD2 4.21Å; P84-Y269 HydrophobicContact CB-CE2 3.85Å; P84-Y269 WeakPolarHBondContact CB-O 3.34Å; P84-Y269 HydrophobicContact CG-CE2 4.15Å; D87-Y269 VanDerWaalsContact O-CE1 3.25Å; D87-Y269 WeakPolarHBondContact O-CE1 3.33Å; D87-Y269 PolarHBondContact O-OH 2.81Å; L264-Y269 HydrophobicContact CB-CD1 3.71Å; L264-Y269 HydrophobicContact CB-CE1 4.28Å; L264-Y269 HydrophobicContact CB-CG 4.11Å; L264-Y269 HydrophobicContact CD1-CG 4.17Å; P265-Y269 VanDerWaalsContact O-CD1 3.27Å; P265-Y269 WeakPolarHBondContact O-CD1 3.4Å; Y269-V271 HydrophobicContact CD2-CG2 4.27Å; Y269-V271 HydrophobicContact CE2-CG2 3.96Å; Y269-V295 HydrophobicContact CD2-CB 4.3Å; Y269-V295 HydrophobicContact CD2-CG1 3.98Å; Y269-V295 HydrophobicContact CE2-CG1 4.43Å; Y269-D296 CarbonylContact C-O 3.57Å; Y269-D296 VanDerWaalsContact CA-O 3.24Å; Y269-D296 WeakPolarHBondContact CA-O 3.29Å; Y269-D296 WeakPolarHBondContact CB-O 3.38Å
270	R	92.8	Very high	82.1	Confident	111 Å²	111	65.2 Å²	65.2	42%	0.419	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.7	173.8	-61.2	-177.7	-174.7	170.7	2.1	109.1	A105 M107 V295 D296	A105-R270 PolarHBondContact O-NH1 2.95Å; M107-R270 HydrophobicContact CE-CB 4.28Å; M107-R270 HydrophobicContact CE-CG 3.88Å; R270-V295 CarbonylContact O-C 3.53Å; R270-V295 WeakPolarHBondContact O-CA 3.18Å; R270-V295 WeakPolarHBondContact O-CB 3.34Å; R270-D296 PolarHBondContact N-O 2.92Å; R270-D296 PolarHBondContact O-N 3.17Å
271	V	91.7	Very high	79.7	Confident	41 Å²	41	73 Å²	73	25%	0.248	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	138.3	175.4	174.1	0	0	0	0	109.1	L82 P84 Y269 V295	L82-V271 HydrophobicContact CD2-CG2 3.95Å; P84-V271 HydrophobicContact CG-CB 4.23Å; P84-V271 HydrophobicContact CG-CG2 3.7Å; Y269-V271 HydrophobicContact CD2-CG2 4.27Å; Y269-V271 HydrophobicContact CE2-CG2 3.96Å; V271-V295 HydrophobicContact CG2-CG1 3.93Å
272	R	90.8	Very high	77.5	Confident	11 Å²	11	75.7 Å²	75.7	4%	0.042	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-92.5	126.8	170.2	-63.9	-167.4	-175.6	173.7	0.6	109.8	H133 E294 D296	H133-R272 PolarHBondContact NE2-NH1 3.3Å; R272-E294 HydrophobicContact CB-CB 4.24Å; R272-E294 HydrophobicContact CB-CG 4.2Å; R272-E294 WeakPolarHBondContact CD-OE1 3.2Å; R272-E294 HydrophobicContact CG-CG 4.37Å; R272-E294 IonicContact CZ-OE1 2.67Å; R272-E294 PolarHBondContact N-O 2.93Å; R272-E294 IonicContact NE-OE1 2.83Å; R272-E294 IonicContact NH1-OE1 2.89Å; R272-E294 PolarHBondContact NH1-OE1 3.17Å; R272-D296 VanDerWaalsContact CG-OD2 3.32Å; R272-D296 WeakPolarHBondContact CG-OD2 2.85Å; R272-D296 IonicContact CZ-OD1 3.74Å; R272-D296 IonicContact CZ-OD2 3.43Å; R272-D296 IonicContact NE-OD1 3.58Å; R272-D296 PolarHBondContact NE-OD1 3.41Å; R272-D296 IonicContact NE-OD2 3.82Å; R272-D296 PolarHBondContact NE-OD2 3.28Å; R272-D296 IonicContact NH2-OD1 3.51Å; R272-D296 PolarHBondContact NH2-OD1 2.76Å; R272-D296 IonicContact NH2-OD2 3.08Å
273	E	84.4	Confident	75.4	Confident	144 Å²	144	84.3 Å²	84.3	67%	0.673	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-97.1	163.5	177	-63.4	-175.2	172.2	0	0	111.4	K275 K287	E273-K275 PolarHBondContact O-N 3.48Å; E273-K287 PolarHBondContact O-N 2.96Å
274	E	81.8	Confident	73.6	Confident	107 Å²	107	86.2 Å²	86.2	50%	0.5	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-66.8	129.1	170.2	-68.5	-71.2	179.3	0	0	109.2	K287 R432	E274-K287 HydrophobicContact CG-CD 4.43Å; E274-K287 WeakPolarHBondContact OE1-CD 3.4Å; E274-R432 IonicContact OE1-CZ 3.55Å; E274-R432 IonicContact OE1-NH1 3.41Å; E274-R432 PolarHBondContact OE1-NH1 3.33Å; E274-R432 IonicContact OE1-NH2 3.72Å; E274-R432 PolarHBondContact OE1-NH2 2.9Å; E274-R432 IonicContact OE2-CZ 2.67Å; E274-R432 IonicContact OE2-NH1 2.68Å; E274-R432 PolarHBondContact OE2-NH1 3.28Å; E274-R432 IonicContact OE2-NH2 3.02Å
275	K	69.6	Low	72.4	Confident	95 Å²	95	89.9 Å²	89.9	41%	0.413	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-84.8	127.7	174.5	-79.7	-169.9	174.4	-164.4	0	110.4	E273 S282 T284	E273-K275 PolarHBondContact O-N 3.48Å; K275-S282 PolarHBondContact NZ-O 3.24Å; K275-T284 WeakPolarHBondContact CE-O 3.42Å; K275-T284 PolarHBondContact NZ-O 2.94Å
276	S	55.4	Low	71.7	Confident	54 Å²	54	89.3 Å²	89.3	38%	0.378	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-73.3	153.1	164.4	82.2	0	0	0	0	110	T278 D279	S276-T278 PolarHBondContact O-N 2.94Å; S276-T278 PolarHBondContact OG-N 3.19Å; S276-T278 PolarHBondContact OG-OG1 3.33Å; S276-D279 PolarHBondContact O-N 3.47Å; S276-D279 PolarHBondContact OG-OD2 2.93Å
277	S	50	Low	71.5	Confident	134 Å²	134	84.5 Å²	84.5	94%	0.937	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-5.1	177.6	46.7	0	0	0	0	114.3
278	T	48.4	Very low	71.4	Confident	119 Å²	119	84.6 Å²	84.6	73%	0.73	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-8.1	-178.4	42.4	0	0	0	0	114.5	S276	S276-T278 PolarHBondContact O-N 2.94Å; S276-T278 PolarHBondContact OG-N 3.19Å; S276-T278 PolarHBondContact OG-OG1 3.33Å
279	D	49.2	Very low	71.4	Confident	91 Å²	91	79.7 Å²	79.7	49%	0.487	44%	0.443	S	S	.	.			trans	-107.9	65.7	-174.4	-67.3	-48	0	0	0	113.4	S276 D281	S276-D279 PolarHBondContact O-N 3.47Å; S276-D279 PolarHBondContact OG-OD2 2.93Å; D279-D281 VanDerWaalsContact C-N 3.28Å; D279-D281 PolarHBondContact O-N 3.32Å
280	A	49.2	Very low	71.3	Confident	96 Å²	96	82.2 Å²	82.2	79%	0.793	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-17.1	177.5	0	0	0	0	0	114
281	D	46.5	Very low	71.5	Confident	165 Å²	165	76.9 Å²	76.9	88%	0.882	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	2.6	-170.7	-79.8	-21.3	0	0	0	115.4	D279 Q283	D279-D281 VanDerWaalsContact C-N 3.28Å; D279-D281 PolarHBondContact O-N 3.32Å; D281-Q283 PolarHBondContact O-N 2.69Å
282	S	51.6	Low	71.6	Confident	57 Å²	57	77.3 Å²	77.3	40%	0.399	44%	0.436	S	S	.	.			trans	-75	128.2	177.8	-179.2	0	0	0	0	112.6	K275 T284	K275-S282 PolarHBondContact NZ-O 3.24Å; S282-T284 PolarHBondContact O-N 3.38Å; S282-T284 PolarHBondContact OG-N 2.92Å; S282-T284 PolarHBondContact OG-OG1 3.31Å
283	Q	54.1	Low	71.9	Confident	181 Å²	181	78 Å²	78	85%	0.846	44%	0.438	S	S	*	.	S	Bend	trans	-64.6	-13.5	175.4	-68.1	-176.3	-1.6	0	0	113.9	D281	D281-Q283 PolarHBondContact O-N 2.69Å
284	T	58.5	Low	72.4	Confident	68 Å²	68	71.2 Å²	71.2	42%	0.417	41%	0.407	S	S	.	.	S	Bend	trans	-86.6	141.1	177.4	53.8	0	0	0	0	111.4	K275 S282	K275-T284 WeakPolarHBondContact CE-O 3.42Å; K275-T284 PolarHBondContact NZ-O 2.94Å; S282-T284 PolarHBondContact O-N 3.38Å; S282-T284 PolarHBondContact OG-N 2.92Å; S282-T284 PolarHBondContact OG-OG1 3.31Å
285	L	72.8	Confident	73.1	Confident	77 Å²	77	66.1 Å²	66.1	40%	0.403	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-73.6	138.8	173.6	-72.5	177.5	0	0	0	109.9	V104	V104-L285 HydrophobicContact CG2-CD1 3.51Å; V104-L285 HydrophobicContact CG2-CG 4.46Å
286	G	82.7	Confident	74.3	Confident	17 Å²	17	61.9 Å²	61.9	18%	0.175	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-72.8	157.9	175.6	0	0	0	0	0	111.8	V288	G286-V288 PolarHBondContact O-N 3.1Å
287	K	89.6	Confident	76.3	Confident	39 Å²	39	59.3 Å²	59.3	17%	0.17	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-58.8	130.4	174.8	-158	172.9	179.3	176.2	0	111.7	E273 E274 C291 Q292 E294	E273-K287 PolarHBondContact O-N 2.96Å; E274-K287 HydrophobicContact CG-CD 4.43Å; E274-K287 WeakPolarHBondContact OE1-CD 3.4Å; K287-C291 WeakPolarHBondContact CE-O 3.49Å; K287-C291 PolarHBondContact NZ-O 3.37Å; K287-Q292 PolarHBondContact NZ-O 2.95Å; K287-E294 HydrophobicContact CG-CB 4Å; K287-E294 WeakPolarHBondContact CG-OE2 3.44Å
288	V	91.9	Very high	78.5	Confident	60 Å²	60	53 Å²	53	36%	0.364	30%	0.303	S	S	.	.			trans	-118.1	-10	179.1	-67.2	0	0	0	0	113	G286 E294 M431 R432	G286-V288 PolarHBondContact O-N 3.1Å; V288-E294 WeakPolarHBondContact CG2-OE1 3.28Å; V288-E294 PolarHBondContact N-OE1 2.92Å; V288-E294 PolarHBondContact N-OE2 3.34Å; V288-M431 HydrophobicContact CB-CE 4.09Å; V288-M431 HydrophobicContact CG2-CE 3.59Å; V288-R432 WeakPolarHBondContact O-CG 3.26Å; V288-R432 PolarHBondContact O-N 3.48Å
289	S	94.3	Very high	80.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-102.2	167.5	177.1	75.6	0	0	0	0	112.7	C291 E294 R430 R432	S289-C291 PolarHBondContact OG-N 3.32Å; S289-E294 VanDerWaalsContact CB-OE2 3.28Å; S289-E294 WeakPolarHBondContact CB-OE2 3.27Å; S289-E294 PolarHBondContact N-OE2 2.79Å; S289-E294 PolarHBondContact OG-OE2 2.64Å; S289-R430 CarbonylContact C-O 3.47Å; S289-R430 VanDerWaalsContact CA-O 3.26Å; S289-R430 WeakPolarHBondContact CA-O 3.37Å; S289-R432 PolarHBondContact O-NE 3.14Å; S289-R432 PolarHBondContact O-NH2 3.35Å; S289-R432 VanDerWaalsContact O-NH2 3.07Å
290	L	93.2	Very high	82.9	Confident	59 Å²	59	50.9 Å²	50.9	31%	0.309	29%	0.285	S	S	.	.	S	Bend	trans	-92.5	1.3	170.7	-64.1	172.8	0	0	0	112.6	R393 R430 R432	L290-R393 HydrophobicContact CD1-CB 4.19Å; L290-R393 HydrophobicContact CD1-CG 3.83Å; L290-R430 PolarHBondContact N-O 3.46Å; L290-R432 HydrophobicContact CD2-CG 3.83Å; L290-R432 HydrophobicContact CG-CG 4.07Å
291	C	95.5	Very high	85.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	-67	158.7	-180	-62.7	0	0	0	0	110.8	C131 K287 S289	C131-C291 HydrophobicContact CB-CB 3.98Å; K287-C291 WeakPolarHBondContact CE-O 3.49Å; K287-C291 PolarHBondContact NZ-O 3.37Å; S289-C291 PolarHBondContact OG-N 3.32Å
292	Q	95	Very high	87.5	Confident	50 Å²	50	41.4 Å²	41.4	23%	0.234	22%	0.22	C	C	.	.	S	Bend	trans	-70.2	-50.2	177.5	-66.6	172.8	-75.9	0	0	111.1	P77 A79 N128 S129 K287	P77-Q292 PolarHBondContact O-NE2 2.84Å; A79-Q292 HydrophobicContact CB-CB 3.85Å; A79-Q292 HydrophobicContact CB-CG 4.45Å; N128-Q292 PolarHBondContact OD1-OE1 2.86Å; S129-Q292 VanDerWaalsContact N-OE1 3.12Å; S129-Q292 PolarHBondContact O-N 2.85Å; S129-Q292 VanDerWaalsContact O-N 3.15Å; S129-Q292 PolarHBondContact OG-N 3.03Å; K287-Q292 PolarHBondContact NZ-O 2.95Å
293	Y	95.6	Very high	89.7	Confident	25 Å²	25	42.3 Å²	42.3	10%	0.098	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	133.3	171.9	-60.2	-60.6	0	0	0	110.9	A79 P80 L82 L89 T124 N128 S129 V130 C131	A79-Y293 HydrophobicContact CB-CE1 3.96Å; A79-Y293 HydrophobicContact CB-CE2 3.92Å; P80-Y293 VanDerWaalsContact CD-OH 3.29Å; P80-Y293 WeakPolarHBondContact CD-OH 3.21Å; P80-Y293 WeakPolarHBondContact O-CE1 3.4Å; P80-Y293 PolarHBondContact O-OH 3.33Å; L82-Y293 HydrophobicContact CB-CE1 4.01Å; L82-Y293 HydrophobicContact CD2-CD1 4.3Å; L82-Y293 HydrophobicContact CD2-CE1 4.41Å; L89-Y293 HydrophobicContact CD1-CD2 4.3Å; L89-Y293 HydrophobicContact CD1-CE2 4.43Å; T124-Y293 HydrophobicContact CG2-CE2 4.47Å; N128-Y293 HydrophobicContact CB-CD2 4.14Å; N128-Y293 HydrophobicContact CB-CE2 3.75Å; S129-Y293 PolarHBondContact O-N 3.41Å; V130-Y293 WeakPolarHBondContact CA-O 3.46Å; V130-Y293 HydrophobicContact CG2-CD2 4.04Å; C131-Y293 PolarHBondContact N-O 2.94Å
294	E	96.1	Very high	91.7	Very high	1 Å²	1	35 Å²	35	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	123.1	167.5	-171.9	170.2	157.1	0	0	108.6	C131 H133 R272 K287 V288 S289	C131-E294 HydrophobicContact CB-CG 4.23Å; C131-E294 CarbonylContact O-C 3.6Å; C131-E294 VanDerWaalsContact O-CA 3.32Å; C131-E294 WeakPolarHBondContact O-CA 3.32Å; H133-E294 IonicContact CD2-OE1 2.68Å; H133-E294 IonicContact CE1-OE1 3.41Å; H133-E294 IonicContact NE2-OE1 3.15Å; H133-E294 PolarHBondContact NE2-OE1 3.15Å; R272-E294 HydrophobicContact CB-CB 4.24Å; R272-E294 HydrophobicContact CB-CG 4.2Å; R272-E294 WeakPolarHBondContact CD-OE1 3.2Å; R272-E294 HydrophobicContact CG-CG 4.37Å; R272-E294 IonicContact CZ-OE1 2.67Å; R272-E294 PolarHBondContact N-O 2.93Å; R272-E294 IonicContact NE-OE1 2.83Å; R272-E294 IonicContact NH1-OE1 2.89Å; R272-E294 PolarHBondContact NH1-OE1 3.17Å; K287-E294 HydrophobicContact CG-CB 4Å; K287-E294 WeakPolarHBondContact CG-OE2 3.44Å; V288-E294 WeakPolarHBondContact CG2-OE1 3.28Å; V288-E294 PolarHBondContact N-OE1 2.92Å; V288-E294 PolarHBondContact N-OE2 3.34Å; S289-E294 VanDerWaalsContact CB-OE2 3.28Å; S289-E294 WeakPolarHBondContact CB-OE2 3.27Å; S289-E294 PolarHBondContact N-OE2 2.79Å; S289-E294 PolarHBondContact OG-OE2 2.64Å
295	V	95.7	Very high	93.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	151.6	-170.5	-62.1	0	0	0	0	111.9	L89 V130 C131 C132 H133 L264 Y269 R270 V271	L89-V295 HydrophobicContact CD2-CG1 4.08Å; L89-V295 HydrophobicContact CD2-CG2 4.25Å; V130-V295 HydrophobicContact CG1-CG2 4.48Å; C131-V295 PolarHBondContact O-N 3.11Å; C132-V295 HydrophobicContact CB-CG2 3.88Å; H133-V295 PolarHBondContact N-O 2.88Å; L264-V295 HydrophobicContact CD1-CB 4.37Å; L264-V295 HydrophobicContact CD1-CG2 3.57Å; Y269-V295 HydrophobicContact CD2-CB 4.3Å; Y269-V295 HydrophobicContact CD2-CG1 3.98Å; Y269-V295 HydrophobicContact CE2-CG1 4.43Å; R270-V295 CarbonylContact O-C 3.53Å; R270-V295 WeakPolarHBondContact O-CA 3.18Å; R270-V295 WeakPolarHBondContact O-CB 3.34Å; V271-V295 HydrophobicContact CG2-CG1 3.93Å
296	D	95.4	Very high	94.4	Very high	6 Å²	6	33.5 Å²	33.5	3%	0.032	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136.1	171.8	-66.8	-70.4	0	0	0	110.2	M107 H133 H135 Y269 R270 R272	M107-D296 HydrophobicContact CE-CB 3.57Å; M107-D296 HydrophobicContact SD-CB 4.4Å; H133-D296 WeakPolarHBondContact CB-OD1 3.41Å; H133-D296 IonicContact CG-OD1 3.51Å; H133-D296 WeakPolarHBondContact O-CA 3.25Å; H135-D296 IonicContact CD2-OD1 4Å; H135-D296 IonicContact CE1-OD1 2.86Å; H135-D296 IonicContact NE2-OD1 3.7Å; H135-D296 PolarHBondContact NE2-OD1 3.42Å; Y269-D296 CarbonylContact C-O 3.57Å; Y269-D296 VanDerWaalsContact CA-O 3.24Å; Y269-D296 WeakPolarHBondContact CA-O 3.29Å; Y269-D296 WeakPolarHBondContact CB-O 3.38Å; R270-D296 PolarHBondContact N-O 2.92Å; R270-D296 PolarHBondContact O-N 3.17Å; R272-D296 VanDerWaalsContact CG-OD2 3.32Å; R272-D296 WeakPolarHBondContact CG-OD2 2.85Å; R272-D296 IonicContact CZ-OD1 3.74Å; R272-D296 IonicContact CZ-OD2 3.43Å; R272-D296 IonicContact NE-OD1 3.58Å; R272-D296 PolarHBondContact NE-OD1 3.41Å; R272-D296 IonicContact NE-OD2 3.82Å; R272-D296 PolarHBondContact NE-OD2 3.28Å; R272-D296 IonicContact NH2-OD1 3.51Å; R272-D296 PolarHBondContact NH2-OD1 2.76Å; R272-D296 IonicContact NH2-OD2 3.08Å
297	V	96.3	Very high	94.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	149.6	176.7	69.5	0	0	0	0	111.1	C132 H133 V134 H135 L264 D301 F302	C132-V297 VanDerWaalsContact SG-CG1 3.56Å; H133-V297 PolarHBondContact O-N 3.47Å; V134-V297 WeakPolarHBondContact CA-O 3.44Å; V134-V297 HydrophobicContact CG2-CG1 4.01Å; H135-V297 PolarHBondContact N-O 2.91Å; L264-V297 HydrophobicContact CD2-CB 4.44Å; L264-V297 HydrophobicContact CD2-CG1 4.21Å; L264-V297 HydrophobicContact CD2-CG2 4.3Å; V297-D301 HydrophobicContact CG2-CB 3.9Å; V297-F302 HydrophobicContact CG1-CD1 4.46Å; V297-F302 HydrophobicContact CG2-CB 4.35Å
298	G	96	Very high	94.4	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	144.6	168.6	0	0	0	0	0	111.3	T300 D301	G298-T300 PolarHBondContact O-N 2.85Å; G298-T300 VanDerWaalsContact O-N 3.07Å; G298-D301 PolarHBondContact O-N 3.1Å
299	W	95.5	Very high	94.1	Very high	75 Å²	75	36.4 Å²	36.4	28%	0.284	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.4	-177.6	79.1	-81.2	0	0	0	115	V134 H135 G136 F137 F250 F302	V134-W299 VanDerWaalsContact CG1-CA 3.4Å; V134-W299 HydrophobicContact CG1-CB 3.57Å; H135-W299 WeakPolarHBondContact O-CB 3.45Å; H135-W299 PolarHBondContact O-N 3.44Å; G136-W299 PolarHBondContact O-NE1 3.27Å; F137-W299 HydrophobicContact CB-CB 4.22Å; F137-W299 HydrophobicContact CB-CG 4.2Å; F137-W299 AromaticContact CD2-CD2 3.85Å; F137-W299 HydrophobicContact CD2-CD2 3.85Å; F137-W299 AromaticContact CD2-CE3 3.75Å; F137-W299 HydrophobicContact CD2-CE3 3.75Å; F137-W299 HydrophobicContact CD2-CG 4.32Å; F137-W299 HydrophobicContact CD2-CZ3 4.13Å; F137-W299 HydrophobicContact CE2-CE3 4.21Å; F137-W299 HydrophobicContact CE2-CZ3 4.18Å; F250-W299 HydrophobicContact CE2-CB 4.32Å; W299-F302 WeakPolarHBondContact O-CE1 3.45Å
300	T	95.1	Very high	93.8	Very high	91 Å²	91	43.2 Å²	43.2	56%	0.558	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-3.5	175.7	52.5	0	0	0	0	113.7	G298	G298-T300 PolarHBondContact O-N 2.85Å; G298-T300 VanDerWaalsContact O-N 3.07Å
301	D	95.9	Very high	93.7	Very high	43 Å²	43	42.5 Å²	42.5	23%	0.23	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-7.7	-168.2	-72.8	-59	0	0	0	113.9	P265 K268 V297 G298	P265-D301 WeakPolarHBondContact CD-O 3.29Å; K268-D301 HydrophobicContact CB-CB 4.19Å; K268-D301 HydrophobicContact CD-CB 4.41Å; K268-D301 IonicContact NZ-OD1 3.7Å; K268-D301 PolarHBondContact NZ-OD1 3.23Å; V297-D301 HydrophobicContact CG2-CB 3.9Å; G298-D301 PolarHBondContact O-N 3.1Å
302	F	96.7	Very high	93.3	Very high	19 Å²	19	44.2 Å²	44.2	8%	0.083	24%	0.24	C	C	.	.	S	Bend	trans	-98.8	161.8	174.5	73.3	-93.4	0	0	0	112.1	V134 F250 V256 I262 L264 V297 W299	V134-F302 HydrophobicContact CG1-CD1 4.33Å; V134-F302 HydrophobicContact CG1-CE1 3.95Å; F250-F302 HydrophobicContact CE2-CE1 4.28Å; F250-F302 HydrophobicContact CE2-CZ 4.33Å; F250-F302 AromaticContact CZ-CE1 3.89Å; F250-F302 HydrophobicContact CZ-CE1 3.89Å; F250-F302 AromaticContact CZ-CZ 3.71Å; F250-F302 HydrophobicContact CZ-CZ 3.71Å; V256-F302 HydrophobicContact CG2-CE2 3.52Å; V256-F302 HydrophobicContact CG2-CZ 3.84Å; I262-F302 HydrophobicContact CD1-CD2 4.35Å; I262-F302 HydrophobicContact CD1-CE2 4.25Å; I262-F302 HydrophobicContact CG2-CB 4.32Å; I262-F302 HydrophobicContact CG2-CD2 3.93Å; I262-F302 HydrophobicContact CG2-CG 4.39Å; L264-F302 HydrophobicContact CD2-CB 3.58Å; V297-F302 HydrophobicContact CG1-CD1 4.46Å; V297-F302 HydrophobicContact CG2-CB 4.35Å; W299-F302 WeakPolarHBondContact O-CE1 3.45Å
303	I	97.4	Very high	93.1	Very high	76 Å²	76	45.8 Å²	45.8	39%	0.39	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.3	178.3	-56.9	172.1	0	0	0	109.1	I262 E263 P265	I262-I303 WeakPolarHBondContact CA-O 3.26Å; E263-I303 HydrophobicContact CB-CB 4.26Å; E263-I303 PolarHBondContact N-O 3.18Å; E263-I303 PolarHBondContact O-N 3.35Å; P265-I303 HydrophobicContact CG-CD1 3.94Å; P265-I303 HydrophobicContact CG-CG1 4.17Å
304	S	96.8	Very high	92.9	Very high	28 Å²	28	45.8 Å²	45.8	20%	0.196	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	120.3	171.1	179.4	0	0	0	0	109.7	D255 V256	D255-S304 PolarHBondContact O-OG 3.09Å; V256-S304 WeakPolarHBondContact CA-OG 3.32Å
305	H	96.4	Very high	92.7	Very high	29 Å²	29	45.8 Å²	45.8	13%	0.134	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	129.6	178.9	-71	-68.9	0	0	0	111.3	W261 E263 W311	W261-H305 HydrophobicContact CB-CB 4.22Å; W261-H305 PolarHBondContact O-N 3.25Å; E263-H305 WeakPolarHBondContact CB-NE2 3.31Å; E263-H305 IonicContact OE2-CD2 2.77Å; E263-H305 IonicContact OE2-CE1 2.71Å; E263-H305 IonicContact OE2-NE2 3.5Å; E263-H305 PolarHBondContact OE2-NE2 3.16Å; H305-W311 HydrophobicContact CB-CB 4.35Å; H305-W311 HydrophobicContact CB-CD2 3.82Å; H305-W311 HydrophobicContact CB-CE3 4.3Å; H305-W311 HydrophobicContact CB-CG 3.83Å; H305-W311 AromaticContact CD2-CE2 3.97Å; H305-W311 AromaticContact CD2-CH2 3.84Å; H305-W311 AromaticContact CD2-CZ2 3.8Å; H305-W311 AromaticContact CE1-CE2 3.99Å; H305-W311 AromaticContact CE1-CZ2 3.73Å; H305-W311 AromaticContact CG-CD2 3.89Å; H305-W311 AromaticContact CG-CE2 3.7Å; H305-W311 AromaticContact CG-CZ2 3.98Å; H305-W311 AromaticContact ND1-CE2 3.74Å; H305-W311 AromaticContact ND1-CZ2 3.97Å; H305-W311 AromaticContact ND1-NE1 3.75Å; H305-W311 AromaticContact NE2-CH2 3.83Å; H305-W311 AromaticContact NE2-CZ2 3.62Å
306	P	91.1	Very high	92.6	Very high	85 Å²	85	47.8 Å²	47.8	55%	0.552	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-66.1	142.4	174.9	28.1	-33.4	0	0	0	110.6	E308 W311	P306-E308 PolarHBondContact O-N 3.04Å; P306-W311 WeakPolarHBondContact O-CB 3.42Å
307	A	88	Confident	92.6	Very high	11 Å²	11	47.6 Å²	47.6	9%	0.091	26%	0.259	C	S	.	.	S	Bend	trans	-75.9	63.1	-177.8	0	0	0	0	0	112.8	R544 R696	A307-R544 HydrophobicContact CB-CB 4.34Å; A307-R544 HydrophobicContact CB-CG 4.06Å; A307-R696 PolarHBondContact O-NH1 3.22Å
308	E	84.4	Confident	92.6	Very high	101 Å²	101	47.8 Å²	47.8	47%	0.472	26%	0.26	S	S	.	.	S	Bend	trans	-136.1	154.2	179.4	-58.2	-169.2	158.7	0	0	110	P306 E310 W311 R696	P306-E308 PolarHBondContact O-N 3.04Å; E308-E310 PolarHBondContact O-N 3.48Å; E308-W311 PolarHBondContact O-N 3.47Å; E308-R696 IonicContact OE1-NH2 3.47Å
309	G	86.6	Confident	92.7	Very high	64 Å²	64	48 Å²	48	66%	0.66	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	59.5	-128.2	-179.7	0	0	0	0	0	112.8	W311 Q312	G309-W311 PolarHBondContact O-N 2.83Å; G309-Q312 WeakPolarHBondContact O-CB 3.35Å; G309-Q312 PolarHBondContact O-N 3.35Å
310	E	87.3	Confident	92.8	Very high	144 Å²	144	44.4 Å²	44.4	67%	0.673	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-63.9	-28.2	-179.5	68.3	-176.6	163.9	0	0	113.5	E308 Q312 K313	E308-E310 PolarHBondContact O-N 3.48Å; E310-Q312 PolarHBondContact O-N 3.15Å; E310-K313 VanDerWaalsContact O-CG 3.32Å; E310-K313 WeakPolarHBondContact O-CG 3.37Å
311	W	91.7	Very high	93	Very high	43 Å²	43	40 Å²	40	16%	0.163	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-81.8	3	-178.8	-56.2	108.9	0	0	0	113.4	V90 W261 H305 P306 E308 G309 K313	V90-W311 HydrophobicContact CG1-CH2 3.98Å; V90-W311 HydrophobicContact CG1-CZ3 3.69Å; W261-W311 HydrophobicContact CB-CD2 4.39Å; W261-W311 HydrophobicContact CB-CE3 3.52Å; W261-W311 HydrophobicContact CB-CZ3 3.97Å; W261-W311 VanDerWaalsContact CD1-O 3.26Å; W261-W311 HydrophobicContact CD2-CE3 4.1Å; W261-W311 HydrophobicContact CD2-CZ3 4.29Å; W261-W311 HydrophobicContact CE3-CZ3 4.36Å; W261-W311 AromaticContact CG-CE3 3.59Å; W261-W311 HydrophobicContact CG-CE3 3.59Å; W261-W311 HydrophobicContact CG-CZ3 4.14Å; H305-W311 HydrophobicContact CB-CB 4.35Å; H305-W311 HydrophobicContact CB-CD2 3.82Å; H305-W311 HydrophobicContact CB-CE3 4.3Å; H305-W311 HydrophobicContact CB-CG 3.83Å; H305-W311 AromaticContact CD2-CE2 3.97Å; H305-W311 AromaticContact CD2-CH2 3.84Å; H305-W311 AromaticContact CD2-CZ2 3.8Å; H305-W311 AromaticContact CE1-CE2 3.99Å; H305-W311 AromaticContact CE1-CZ2 3.73Å; H305-W311 AromaticContact CG-CD2 3.89Å; H305-W311 AromaticContact CG-CE2 3.7Å; H305-W311 AromaticContact CG-CZ2 3.98Å; H305-W311 AromaticContact ND1-CE2 3.74Å; H305-W311 AromaticContact ND1-CZ2 3.97Å; H305-W311 AromaticContact ND1-NE1 3.75Å; H305-W311 AromaticContact NE2-CH2 3.83Å; H305-W311 AromaticContact NE2-CZ2 3.62Å; P306-W311 WeakPolarHBondContact O-CB 3.42Å; E308-W311 PolarHBondContact O-N 3.47Å; G309-W311 PolarHBondContact O-N 2.83Å; W311-K313 VanDerWaalsContact C-N 3.26Å
312	Q	87.3	Confident	93.1	Very high	36 Å²	36	38 Å²	38	17%	0.168	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-76	-17	172	-166.3	170.1	6.6	0	0	112.5	G309 E310 R544 V692	G309-Q312 WeakPolarHBondContact O-CB 3.35Å; G309-Q312 PolarHBondContact O-N 3.35Å; E310-Q312 PolarHBondContact O-N 3.15Å; Q312-R544 PolarHBondContact O-NH1 2.8Å; Q312-V692 HydrophobicContact CG-CG1 4.49Å
313	K	89.1	Confident	93.1	Very high	84 Å²	84	38 Å²	38	37%	0.365	21%	0.211	S	C	.	.			trans	-57.1	157.7	178	69.8	-178.2	180	170.9	0	112.7	D125 W261 E310 W311 R544	D125-K313 WeakPolarHBondContact OD1-CE 3.42Å; D125-K313 IonicContact OD1-NZ 3.92Å; D125-K313 PolarHBondContact OD1-NZ 3.1Å; D125-K313 IonicContact OD2-NZ 3.74Å; D125-K313 PolarHBondContact OD2-NZ 2.83Å; W261-K313 HydrophobicContact CZ2-CD 4.13Å; W261-K313 HydrophobicContact CZ2-CG 3.71Å; W261-K313 PolarHBondContact NE1-O 2.94Å; E310-K313 VanDerWaalsContact O-CG 3.32Å; E310-K313 WeakPolarHBondContact O-CG 3.37Å; W311-K313 VanDerWaalsContact C-N 3.26Å; K313-R544 PolarHBondContact O-NH2 2.98Å
314	I	91.4	Very high	93.1	Very high	25 Å²	25	34.7 Å²	34.7	13%	0.128	19%	0.194	C	C	.	.			trans	-116.1	131.3	178.3	-63.1	174.1	0	0	0	107.3	Q351 I537 M540 F688 V692	I314-Q351 HydrophobicContact CG2-CG 4.28Å; I314-I537 HydrophobicContact CD1-CG1 4.36Å; I314-M540 HydrophobicContact CD1-SD 4.35Å; I314-M540 HydrophobicContact CG1-CE 4.34Å; I314-M540 HydrophobicContact CG2-CE 3.9Å; I314-M540 HydrophobicContact CG2-SD 4.12Å; I314-F688 HydrophobicContact CD1-CZ 4.46Å; I314-V692 HydrophobicContact CD1-CG2 4.1Å
315	A	93.4	Very high	93	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.008	19%	0.188	C	C	.	.			trans	-65	157.1	176.7	0	0	0	0	0	111	Q92 V123 W261 L317	Q92-A315 HydrophobicContact CB-CB 3.99Å; V123-A315 HydrophobicContact CB-CB 4.26Å; W261-A315 HydrophobicContact CH2-CB 4.08Å; W261-A315 HydrophobicContact CZ2-CB 4.19Å; A315-L317 HydrophobicContact CB-CD2 4.37Å; A315-L317 PolarHBondContact O-N 3.27Å
316	P	93.4	Very high	92.9	Very high	41 Å²	41	33.2 Å²	33.2	27%	0.266	19%	0.185	S	C	.	.			trans	-74.1	75.9	179.1	31	-35.7	0	0	0	111.2
317	L	95.4	Very high	93	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	16%	0.164	C	C	.	.			trans	-66.6	138.8	-179.8	-56.8	-178.4	0	0	0	110.7	I94 V123 A315 R350 Q351 D398 I399 M540	I94-L317 HydrophobicContact CG2-CD1 4.45Å; I94-L317 HydrophobicContact CG2-CD2 3.72Å; V123-L317 HydrophobicContact CB-CD2 4.32Å; V123-L317 HydrophobicContact CG2-CD2 3.9Å; A315-L317 HydrophobicContact CB-CD2 4.37Å; A315-L317 PolarHBondContact O-N 3.27Å; L317-R350 CarbonylContact O-C 3.54Å; L317-R350 WeakPolarHBondContact O-CA 3.47Å; L317-Q351 HydrophobicContact CB-CB 4.14Å; L317-Q351 PolarHBondContact O-N 3.33Å; L317-D398 WeakPolarHBondContact CA-OD2 3.27Å; L317-D398 HydrophobicContact CB-CB 4.23Å; L317-D398 HydrophobicContact CD2-CB 4.22Å; L317-I399 HydrophobicContact CD1-CD1 4.06Å; L317-M540 HydrophobicContact CD1-CE 4.24Å; L317-M540 HydrophobicContact CD1-SD 4.14Å
318	R	96.8	Very high	92.9	Very high	5 Å²	5	29.6 Å²	29.6	2%	0.019	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	119.4	169.7	-72.2	-176.2	174.9	-165.4	-10.2	109.9	W74 R75 V348 V395 D398 I399	W74-R318 PolarHBondContact O-NH1 2.89Å; R75-R318 PolarHBondContact O-NH2 3.5Å; R318-V348 HydrophobicContact CB-CG1 4.33Å; R318-V395 WeakPolarHBondContact CD-O 3.45Å; R318-V395 PolarHBondContact NH1-O 3.18Å; R318-D398 PolarHBondContact N-OD2 3.4Å; R318-D398 PolarHBondContact O-N 3.26Å; R318-I399 PolarHBondContact O-N 2.85Å; R318-I399 VanDerWaalsContact O-N 3.13Å
319	V	97.3	Very high	93	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.024	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	114	176.4	-172	0	0	0	0	108.5	V348 Q349 I399 T401 L527 L530	V319-V348 WeakPolarHBondContact O-CA 3.45Å; V319-Q349 PolarHBondContact N-O 2.93Å; V319-Q349 PolarHBondContact O-N 3.37Å; V319-I399 WeakPolarHBondContact CA-O 3.4Å; V319-I399 HydrophobicContact CG1-CB 4.32Å; V319-I399 HydrophobicContact CG1-CG2 4.23Å; V319-I399 HydrophobicContact CG2-CB 4.3Å; V319-I399 HydrophobicContact CG2-CD1 4.45Å; V319-T401 HydrophobicContact CG1-CG2 3.79Å; V319-L527 HydrophobicContact CB-CD2 4.42Å; V319-L527 HydrophobicContact CG1-CD2 3.82Å; V319-L530 HydrophobicContact CG1-CD2 3.94Å
320	L	97.8	Very high	92.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	128.4	173.1	167.5	67.3	0	0	0	109.1	M347 V348 F391 L392 P397 I399 I400 T401	L320-M347 WeakPolarHBondContact CA-O 3.29Å; L320-V348 HydrophobicContact CB-CG2 4.44Å; L320-V348 HydrophobicContact CD1-CG2 3.73Å; L320-F391 HydrophobicContact CD1-CE1 4.12Å; L320-F391 HydrophobicContact CD1-CZ 4.49Å; L320-L392 HydrophobicContact CD2-CD1 3.33Å; L320-P397 HydrophobicContact CB-CB 3.67Å; L320-P397 HydrophobicContact CB-CG 3.98Å; L320-P397 HydrophobicContact CD2-CG 3.98Å; L320-I399 PolarHBondContact N-O 3.35Å; L320-I400 HydrophobicContact CD2-CG2 4.36Å; L320-I400 HydrophobicContact CG-CG2 4.5Å; L320-I400 CarbonylContact O-C 3.59Å; L320-I400 WeakPolarHBondContact O-CA 3.45Å; L320-T401 PolarHBondContact O-N 3Å
321	S	98.1	Very high	91.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	138	164.1	-170.3	0	0	0	0	109.7	S346 M347 T401 A523 L527	S321-S346 WeakPolarHBondContact O-CA 3.34Å; S321-M347 PolarHBondContact N-O 3.47Å; S321-M347 PolarHBondContact O-N 3.39Å; S321-T401 WeakPolarHBondContact CA-O 3.02Å; S321-A523 WeakPolarHBondContact CB-O 3.38Å; S321-A523 PolarHBondContact OG-O 3.33Å; S321-L527 VanDerWaalsContact CB-CG 3.48Å
322	F	98.2	Very high	91.1	Very high	1 Å²	1	27.7 Å²	27.7	0%	0.004	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	159.1	178.8	81.7	-78.7	0	0	0	111.2	I324 I344 A345 W388 I400 I405 D409 F410 L413	F322-I324 HydrophobicContact CD2-CG2 4.1Å; F322-I324 HydrophobicContact CE2-CG2 4.02Å; F322-I344 HydrophobicContact CD2-CG2 4.35Å; F322-A345 WeakPolarHBondContact CA-O 3.46Å; F322-A345 VanDerWaalsContact CB-O 3.23Å; F322-A345 WeakPolarHBondContact CB-O 3.22Å; F322-W388 HydrophobicContact CB-CZ2 4.4Å; F322-W388 HydrophobicContact CD1-CZ2 4.22Å; F322-W388 HydrophobicContact CD2-CH2 4.24Å; F322-W388 AromaticContact CD2-CZ2 3.63Å; F322-W388 HydrophobicContact CD2-CZ2 3.63Å; F322-W388 HydrophobicContact CE1-CZ2 4.42Å; F322-W388 AromaticContact CE2-CH2 3.98Å; F322-W388 HydrophobicContact CE2-CH2 3.98Å; F322-W388 AromaticContact CE2-CZ2 3.86Å; F322-W388 HydrophobicContact CE2-CZ2 3.86Å; F322-W388 AromaticContact CG-CZ2 3.82Å; F322-W388 HydrophobicContact CG-CZ2 3.82Å; F322-W388 HydrophobicContact CZ-CH2 4.14Å; F322-W388 HydrophobicContact CZ-CZ2 4.26Å; F322-I400 HydrophobicContact CD1-CG2 3.87Å; F322-I400 HydrophobicContact CE1-CG2 3.79Å; F322-I405 HydrophobicContact CD1-CG2 4.41Å; F322-I405 HydrophobicContact CE1-CB 4.2Å; F322-I405 HydrophobicContact CE1-CD1 4.4Å; F322-I405 HydrophobicContact CE1-CG2 3.81Å; F322-I405 HydrophobicContact CZ-CB 4.22Å; F322-I405 HydrophobicContact CZ-CG2 3.95Å; F322-D409 HydrophobicContact CE2-CB 3.84Å; F322-D409 HydrophobicContact CZ-CB 3.99Å; F322-F410 HydrophobicContact CE1-CD1 4.48Å; F322-F410 AromaticContact CE1-CE1 3.83Å; F322-F410 HydrophobicContact CE1-CE1 3.83Å; F322-F410 AromaticContact CE1-CE2 3.97Å; F322-F410 HydrophobicContact CE1-CE2 3.97Å; F322-F410 AromaticContact CE1-CZ 3.55Å; F322-F410 HydrophobicContact CE1-CZ 3.55Å; F322-F410 AromaticContact CZ-CD1 3.86Å; F322-F410 HydrophobicContact CZ-CD1 3.86Å; F322-F410 HydrophobicContact CZ-CD2 4.3Å; F322-F410 AromaticContact CZ-CE1 3.62Å; F322-F410 HydrophobicContact CZ-CE1 3.62Å; F322-F410 HydrophobicContact CZ-CE2 4.1Å; F322-F410 HydrophobicContact CZ-CG 4.19Å; F322-F410 AromaticContact CZ-CZ 3.77Å; F322-F410 HydrophobicContact CZ-CZ 3.77Å; F322-L413 HydrophobicContact CE2-CD1 3.91Å
323	D	97.9	Very high	90.7	Very high	19 Å²	19	30.4 Å²	30.4	10%	0.102	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	154.9	177.8	-171.3	80.8	0	0	0	109.2	I344 A345 D522 A523	D323-I344 WeakPolarHBondContact O-CA 3.05Å; D323-A345 PolarHBondContact N-O 3.09Å; D323-A345 PolarHBondContact O-N 2.9Å; D323-D522 HydrophobicContact CB-CB 4.33Å; D323-A523 HydrophobicContact CB-CB 4Å
324	I	97.1	Very high	90.5	Very high	6 Å²	6	27.2 Å²	27.2	3%	0.031	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	147.5	-177.7	81.8	-175.2	0	0	0	111.7	F322 Q343 I344 F408 D409 Y412 L413	F322-I324 HydrophobicContact CD2-CG2 4.1Å; F322-I324 HydrophobicContact CE2-CG2 4.02Å; I324-Q343 WeakPolarHBondContact CA-O 2.96Å; I324-I344 HydrophobicContact CB-CG1 4.47Å; I324-I344 HydrophobicContact CG2-CG1 4.08Å; I324-I344 HydrophobicContact CG2-CG2 4.23Å; I324-F408 HydrophobicContact CD1-CE1 4.3Å; I324-F408 HydrophobicContact CG1-CE1 4.28Å; I324-D409 HydrophobicContact CD1-CB 4.2Å; I324-D409 WeakPolarHBondContact CG1-OD1 3.4Å; I324-D409 HydrophobicContact CG2-CB 4.44Å; I324-Y412 HydrophobicContact CD1-CD1 4.24Å; I324-Y412 HydrophobicContact CD1-CG 4.36Å; I324-L413 HydrophobicContact CD1-CD2 4.5Å; I324-L413 HydrophobicContact CD1-CG 4.23Å; I324-L413 HydrophobicContact CG2-CD1 4.11Å; I324-L413 HydrophobicContact CG2-CD2 4.37Å; I324-L413 HydrophobicContact CG2-CG 4.39Å
325	E	95.6	Very high	90.4	Very high	16 Å²	16	29.9 Å²	29.9	8%	0.075	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	139.4	170.7	-64.1	-59.3	162.2	0	0	111.8	I342 Q343 I501 L515 Y518 C519	E325-I342 HydrophobicContact CB-CD1 4.25Å; E325-I342 HydrophobicContact CB-CG1 3.93Å; E325-I342 WeakPolarHBondContact O-CG1 3.34Å; E325-I342 PolarHBondContact O-N 2.79Å; E325-Q343 HydrophobicContact CB-CB 4.13Å; E325-Q343 HydrophobicContact CG-CB 4.44Å; E325-Q343 PolarHBondContact N-O 3.23Å; E325-Q343 PolarHBondContact O-N 2.96Å; E325-I501 WeakPolarHBondContact OE2-CD1 3.49Å; E325-L515 HydrophobicContact CG-CD1 4.31Å; E325-L515 HydrophobicContact CG-CG 4.44Å; E325-Y518 WeakPolarHBondContact OE1-CE1 3.44Å; E325-C519 HydrophobicContact CG-CB 3.94Å
326	C	93.9	Very high	90.3	Very high	10 Å²	10	31.1 Å²	31.1	7%	0.068	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134.8	-179.4	-57.4	0	0	0	0	110.8	G328 P334 P340 Y412	C326-G328 PolarHBondContact O-N 3.46Å; C326-P334 HydrophobicContact CB-CB 4.09Å; C326-P334 HydrophobicContact CB-CG 4.31Å; C326-P340 WeakPolarHBondContact CA-O 3.22Å; C326-Y412 HydrophobicContact CB-CE1 4.39Å; C326-Y412 WeakPolarHBondContact SG-CE1 3.34Å
327	A	92	Very high	90.2	Very high	15 Å²	15	35 Å²	35	12%	0.124	18%	0.18	C	C	.	.			trans	-86.5	96.6	174.6	0	0	0	0	0	110.7	P340 I342 T502	A327-P340 HydrophobicContact CB-CG 4.23Å; A327-P340 PolarHBondContact N-O 2.91Å; A327-P340 WeakPolarHBondContact O-CD 3.48Å; A327-I342 HydrophobicContact CB-CD1 4.21Å; A327-I342 HydrophobicContact CB-CG2 3.81Å; A327-T502 HydrophobicContact CB-CG2 4.38Å
328	G	86.1	Confident	90.1	Very high	5 Å²	5	43 Å²	43	5%	0.052	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-86.5	164.2	-178.9	0	0	0	0	0	115	C326 T502	C326-G328 PolarHBondContact O-N 3.46Å; G328-T502 PolarHBondContact N-OG1 3.27Å; G328-T502 PolarHBondContact O-OG1 3.25Å
329	R	86.4	Confident	89.9	Confident	71 Å²	71	43 Å²	43	27%	0.268	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-77.7	148.7	168.9	-71	161.9	-73.6	151.3	2.5	111.1	G331 I332 E335 D339	R329-G331 PolarHBondContact O-N 3.32Å; R329-I332 HydrophobicContact CB-CB 4.47Å; R329-I332 HydrophobicContact CB-CD1 4.33Å; R329-I332 PolarHBondContact O-N 3.47Å; R329-E335 IonicContact CZ-OE2 2.73Å; R329-E335 IonicContact NH1-OE2 3.02Å; R329-E335 IonicContact NH2-OE2 3.7Å; R329-E335 PolarHBondContact NH2-OE2 3.17Å; R329-D339 IonicContact CZ-OD1 2.8Å; R329-D339 IonicContact CZ-OD2 2.72Å; R329-D339 IonicContact NE-OD1 3.94Å; R329-D339 PolarHBondContact NE-OD1 3.33Å; R329-D339 IonicContact NE-OD2 2.81Å; R329-D339 IonicContact NH2-OD1 3.21Å; R329-D339 IonicContact NH2-OD2 3.81Å; R329-D339 PolarHBondContact NH2-OD2 3.47Å
330	K	77.9	Confident	89.9	Confident	151 Å²	151	44.5 Å²	44.5	66%	0.657	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	128.6	179.7	-67.6	-170.9	177	-173.8	0	111	I332 D503	K330-I332 VanDerWaalsContact C-N 3.31Å; K330-I332 PolarHBondContact O-N 2.67Å; K330-D503 IonicContact NZ-OD1 3.66Å; K330-D503 IonicContact NZ-OD2 2.68Å; K330-D503 PolarHBondContact NZ-OD2 3.3Å
331	G	70.8	Confident	89.9	Confident	30 Å²	30	44.5 Å²	44.5	31%	0.309	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	11.4	178.1	0	0	0	0	0	115.9	R329 D919 G921	R329-G331 PolarHBondContact O-N 3.32Å; G331-D919 VanDerWaalsContact C-OD1 3.28Å; G331-D919 VanDerWaalsContact CA-OD1 3.31Å; G331-D919 WeakPolarHBondContact CA-OD1 3.49Å; G331-G921 PolarHBondContact O-N 2.95Å
332	I	78.3	Confident	89.8	Confident	60 Å²	60	44.6 Å²	44.6	31%	0.308	22%	0.22	S	C	.	.	S	Bend	trans	-129.2	132.1	179.1	-53.5	176.8	0	0	0	108.1	R329 K330	R329-I332 HydrophobicContact CB-CB 4.47Å; R329-I332 HydrophobicContact CB-CD1 4.33Å; R329-I332 PolarHBondContact O-N 3.47Å; K330-I332 VanDerWaalsContact C-N 3.31Å; K330-I332 PolarHBondContact O-N 2.67Å
333	F	78.4	Confident	89.7	Confident	93 Å²	93	44.6 Å²	44.6	41%	0.408	22%	0.22	S	C	.	.			trans	-65.8	141.3	173	-167.7	-99.4	0	0	0	109.8	E335 F408	F333-E335 PolarHBondContact O-N 3.09Å; F333-F408 HydrophobicContact CE1-CD2 4.12Å; F333-F408 AromaticContact CE1-CE2 3.6Å; F333-F408 HydrophobicContact CE1-CE2 3.6Å; F333-F408 HydrophobicContact CZ-CD2 4.15Å; F333-F408 AromaticContact CZ-CE2 3.68Å; F333-F408 HydrophobicContact CZ-CE2 3.68Å; F333-F408 HydrophobicContact CZ-CZ 4.39Å
334	P	84.8	Confident	89.7	Confident	16 Å²	16	43.7 Å²	43.7	10%	0.104	22%	0.215	C	C	.	.			trans	-52.7	129.2	-176	-29	36	0	0	0	113.9	C326 D339 Y412	C326-P334 HydrophobicContact CB-CB 4.09Å; C326-P334 HydrophobicContact CB-CG 4.31Å; P334-D339 HydrophobicContact CB-CB 4.4Å; P334-Y412 HydrophobicContact CB-CE2 3.82Å
335	E	89.1	Confident	89.7	Confident	82 Å²	82	43.4 Å²	43.4	38%	0.383	21%	0.214	S	C	.	.			trans	-111.4	123.5	177.9	-67.4	175.6	158.8	0	0	110	R329 F333 D337 R338 D339	R329-E335 IonicContact CZ-OE2 2.73Å; R329-E335 IonicContact NH1-OE2 3.02Å; R329-E335 IonicContact NH2-OE2 3.7Å; R329-E335 PolarHBondContact NH2-OE2 3.17Å; F333-E335 PolarHBondContact O-N 3.09Å; E335-D337 PolarHBondContact O-N 3.35Å; E335-R338 PolarHBondContact O-N 2.89Å; E335-D339 PolarHBondContact N-OD2 3.09Å; E335-D339 PolarHBondContact O-N 3.26Å
336	P	90.8	Very high	89.8	Confident	26 Å²	26	42.6 Å²	42.6	17%	0.169	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-30	-175	-25.1	30.7	0	0	0	115	R338 Y412 N415 R416	P336-R338 PolarHBondContact O-N 2.89Å; P336-Y412 HydrophobicContact CB-CD2 4.45Å; P336-Y412 HydrophobicContact CB-CE2 4.38Å; P336-Y412 HydrophobicContact CG-CD2 3.65Å; P336-Y412 HydrophobicContact CG-CE2 3.78Å; P336-Y412 HydrophobicContact CG-CG 4.07Å; P336-N415 HydrophobicContact CB-CB 3.68Å; P336-N415 HydrophobicContact CG-CB 4.07Å; P336-R416 WeakPolarHBondContact O-CD 3.49Å; P336-R416 PolarHBondContact O-NH1 3.31Å
337	D	92.3	Very high	89.9	Confident	124 Å²	124	42.5 Å²	42.5	66%	0.663	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-18.2	-178.1	-63.3	-42.5	0	0	0	113.3	E335	E335-D337 PolarHBondContact O-N 3.35Å
338	R	92.1	Very high	90.1	Very high	169 Å²	169	41.8 Å²	41.8	64%	0.638	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.8	-49.3	-171.3	-66.3	-175.5	176.6	-163.6	2.7	112.4	E335 P336 R416	E335-R338 PolarHBondContact O-N 2.89Å; P336-R338 PolarHBondContact O-N 2.89Å; R338-R416 PolarHBondContact O-NH1 3.33Å
339	D	94.2	Very high	90.5	Very high	6 Å²	6	41.9 Å²	41.9	3%	0.032	20%	0.202	C	C	.	.	S	Bend	trans	-88.9	126.4	-168.8	-53.9	-54.4	0	0	0	109.2	R329 P334 E335 Y412 R416	R329-D339 IonicContact CZ-OD1 2.8Å; R329-D339 IonicContact CZ-OD2 2.72Å; R329-D339 IonicContact NE-OD1 3.94Å; R329-D339 PolarHBondContact NE-OD1 3.33Å; R329-D339 IonicContact NE-OD2 2.81Å; R329-D339 IonicContact NH2-OD1 3.21Å; R329-D339 IonicContact NH2-OD2 3.81Å; R329-D339 PolarHBondContact NH2-OD2 3.47Å; P334-D339 HydrophobicContact CB-CB 4.4Å; E335-D339 PolarHBondContact N-OD2 3.09Å; E335-D339 PolarHBondContact O-N 3.26Å; D339-Y412 PolarHBondContact O-OH 3.33Å; D339-R416 PolarHBondContact O-NH1 2.96Å
340	P	95.8	Very high	90.7	Very high	35 Å²	35	42.1 Å²	42.1	23%	0.227	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-80.6	149.4	-174.4	30.5	-35	0	0	0	113.3	C326 A327 I342 E381	C326-P340 WeakPolarHBondContact CA-O 3.22Å; A327-P340 HydrophobicContact CB-CG 4.23Å; A327-P340 PolarHBondContact N-O 2.91Å; A327-P340 WeakPolarHBondContact O-CD 3.48Å; P340-I342 HydrophobicContact CG-CG2 4.31Å; P340-E381 WeakPolarHBondContact CA-OE1 3.4Å; P340-E381 WeakPolarHBondContact CB-OE2 3.3Å
341	V	97.3	Very high	91.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	125.7	163.2	179.9	0	0	0	0	108.4	I344 E381 Y412 L413 R416	V341-I344 HydrophobicContact CG1-CD1 4.19Å; V341-I344 HydrophobicContact CG1-CG1 3.87Å; V341-E381 PolarHBondContact N-OE1 3.36Å; V341-Y412 HydrophobicContact CG2-CD1 3.78Å; V341-Y412 HydrophobicContact CG2-CE1 3.7Å; V341-L413 HydrophobicContact CG1-CD2 4.32Å; V341-L413 HydrophobicContact CG2-CD2 4.17Å; V341-R416 HydrophobicContact CG2-CG 4.21Å
342	I	96.6	Very high	91.7	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	-28.7	-172.5	54.8	163.3	0	0	0	113.1	E325 A327 P340 L364 I501 Q505 L515	E325-I342 HydrophobicContact CB-CD1 4.25Å; E325-I342 HydrophobicContact CB-CG1 3.93Å; E325-I342 WeakPolarHBondContact O-CG1 3.34Å; E325-I342 PolarHBondContact O-N 2.79Å; A327-I342 HydrophobicContact CB-CD1 4.21Å; A327-I342 HydrophobicContact CB-CG2 3.81Å; P340-I342 HydrophobicContact CG-CG2 4.31Å; I342-L364 HydrophobicContact CG2-CD2 4.21Å; I342-L364 WeakPolarHBondContact O-CB 3.42Å; I342-L364 PolarHBondContact O-N 3.07Å; I342-I501 HydrophobicContact CD1-CG2 3.78Å; I342-Q505 HydrophobicContact CB-CG 4.26Å; I342-Q505 HydrophobicContact CD1-CB 3.8Å; I342-Q505 HydrophobicContact CD1-CG 3.88Å; I342-Q505 HydrophobicContact CG2-CG 4.05Å; I342-L515 HydrophobicContact CD1-CD2 3.64Å
343	Q	96.9	Very high	92.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	146.8	174.4	-58.8	-172.4	-18	0	0	110.9	I324 E325 F362 T363 R512 L515 A516	I324-Q343 WeakPolarHBondContact CA-O 2.96Å; E325-Q343 HydrophobicContact CB-CB 4.13Å; E325-Q343 HydrophobicContact CG-CB 4.44Å; E325-Q343 PolarHBondContact N-O 3.23Å; E325-Q343 PolarHBondContact O-N 2.96Å; Q343-F362 CarbonylContact C-O 3.6Å; Q343-F362 VanDerWaalsContact CA-O 3.23Å; Q343-F362 WeakPolarHBondContact CA-O 3.31Å; Q343-T363 HydrophobicContact CG-CG2 4.09Å; Q343-R512 PolarHBondContact NE2-O 2.8Å; Q343-L515 HydrophobicContact CG-CD2 4.46Å; Q343-L515 PolarHBondContact OE1-O 2.82Å; Q343-A516 VanDerWaalsContact OE1-N 3.08Å
344	I	97.8	Very high	92.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	114.9	167.7	-54.9	174.2	0	0	0	107.6	F322 D323 I324 V341 V361 F362 L384 L385 W388 L413	F322-I344 HydrophobicContact CD2-CG2 4.35Å; D323-I344 WeakPolarHBondContact O-CA 3.05Å; I324-I344 HydrophobicContact CB-CG1 4.47Å; I324-I344 HydrophobicContact CG2-CG1 4.08Å; I324-I344 HydrophobicContact CG2-CG2 4.23Å; V341-I344 HydrophobicContact CG1-CD1 4.19Å; V341-I344 HydrophobicContact CG1-CG1 3.87Å; I344-V361 WeakPolarHBondContact O-CA 3.47Å; I344-F362 HydrophobicContact CB-CB 4.36Å; I344-F362 PolarHBondContact N-O 3.49Å; I344-F362 PolarHBondContact O-N 2.62Å; I344-L384 HydrophobicContact CD1-CD2 3.49Å; I344-L384 VanDerWaalsContact CD1-CD2 3.49Å; I344-L384 HydrophobicContact CG1-CD2 3.92Å; I344-L385 HydrophobicContact CD1-CD2 4.45Å; I344-W388 HydrophobicContact CD1-CB 4.02Å; I344-W388 HydrophobicContact CD1-CD2 4.21Å; I344-W388 HydrophobicContact CD1-CG 3.9Å; I344-W388 VanDerWaalsContact CG2-CD1 3.47Å; I344-W388 HydrophobicContact CG2-CD2 4.3Å; I344-W388 HydrophobicContact CG2-CG 4.06Å; I344-W388 VanDerWaalsContact CG2-NE1 3.32Å; I344-L413 HydrophobicContact CD1-CD2 3.9Å
345	A	97.4	Very high	92.3	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	-93.1	143.3	173.1	0	0	0	0	0	110.2	F322 D323 V361 C519 L520 A523	F322-A345 WeakPolarHBondContact CA-O 3.46Å; F322-A345 VanDerWaalsContact CB-O 3.23Å; F322-A345 WeakPolarHBondContact CB-O 3.22Å; D323-A345 PolarHBondContact N-O 3.09Å; D323-A345 PolarHBondContact O-N 2.9Å; A345-V361 HydrophobicContact CB-CG2 4.48Å; A345-C519 HydrophobicContact CB-CB 4.08Å; A345-C519 WeakPolarHBondContact CB-O 2.87Å; A345-C519 WeakPolarHBondContact CB-SG 3.21Å; A345-L520 HydrophobicContact CB-CD2 4.12Å; A345-L520 HydrophobicContact CB-CG 4.3Å; A345-A523 HydrophobicContact CB-CB 3.89Å
346	S	97	Very high	92.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	127.2	-178.3	-70.3	0	0	0	0	111.2	S321 T360 W388	S321-S346 WeakPolarHBondContact O-CA 3.34Å; S346-T360 PolarHBondContact N-O 2.94Å; S346-T360 PolarHBondContact O-N 3.29Å; S346-W388 PolarHBondContact OG-NE1 2.83Å; S346-W388 VanDerWaalsContact OG-NE1 3.12Å
347	M	95.8	Very high	92.5	Very high	8 Å²	8	39.8 Å²	39.8	4%	0.039	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.8	179.9	-63.9	-64.9	-159.1	0	0	109.5	L320 S321 I358 R359 L520 A523 L527	L320-M347 WeakPolarHBondContact CA-O 3.29Å; S321-M347 PolarHBondContact N-O 3.47Å; S321-M347 PolarHBondContact O-N 3.39Å; M347-I358 WeakPolarHBondContact CA-O 3.17Å; M347-R359 HydrophobicContact CE-CB 4.27Å; M347-R359 HydrophobicContact CE-CG 4.33Å; M347-R359 HydrophobicContact SD-CB 3.6Å; M347-R359 VanDerWaalsContact SD-CB 3.6Å; M347-R359 HydrophobicContact SD-CG 3.57Å; M347-R359 VanDerWaalsContact SD-CG 3.57Å; M347-L520 HydrophobicContact CE-CB 4.06Å; M347-L520 HydrophobicContact CE-CD2 3.4Å; M347-L520 HydrophobicContact CE-CG 4.29Å; M347-L520 HydrophobicContact SD-CD2 4.12Å; M347-A523 HydrophobicContact CG-CB 4.26Å; M347-L527 HydrophobicContact CB-CD1 3.6Å
348	V	95.6	Very high	92.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129.1	179.7	-166.7	0	0	0	0	110.5	R318 V319 L320 P356 F357 I358 F391 V395	R318-V348 HydrophobicContact CB-CG1 4.33Å; V319-V348 WeakPolarHBondContact O-CA 3.45Å; L320-V348 HydrophobicContact CB-CG2 4.44Å; L320-V348 HydrophobicContact CD1-CG2 3.73Å; V348-P356 CarbonylContact O-C 3.58Å; V348-P356 VanDerWaalsContact O-CA 3.23Å; V348-P356 WeakPolarHBondContact O-CA 3.45Å; V348-P356 WeakPolarHBondContact O-CB 3.47Å; V348-F357 HydrophobicContact CB-CE1 4.21Å; V348-F357 HydrophobicContact CB-CZ 4.39Å; V348-F357 HydrophobicContact CG1-CE1 3.8Å; V348-F357 HydrophobicContact CG1-CZ 3.95Å; V348-F357 WeakPolarHBondContact O-CD1 3.32Å; V348-F357 PolarHBondContact O-N 2.83Å; V348-I358 HydrophobicContact CB-CB 3.86Å; V348-I358 HydrophobicContact CB-CD1 4.05Å; V348-I358 HydrophobicContact CB-CG1 4.21Å; V348-I358 HydrophobicContact CG2-CB 3.92Å; V348-I358 HydrophobicContact CG2-CD1 4.02Å; V348-I358 HydrophobicContact CG2-CG1 4.44Å; V348-I358 HydrophobicContact CG2-CG2 4.28Å; V348-I358 PolarHBondContact N-O 3.49Å; V348-I358 PolarHBondContact O-N 2.81Å; V348-F391 HydrophobicContact CG2-CZ 4.14Å; V348-V395 HydrophobicContact CG1-CG1 3.97Å; V348-V395 HydrophobicContact CG2-CG1 3.88Å
349	Q	94.5	Very high	92.6	Very high	6 Å²	6	28.2 Å²	28.2	3%	0.028	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	145.3	-179.4	-177.3	164.3	31.8	0	0	110.5	V319 E353 T354 P356 L527	V319-Q349 PolarHBondContact N-O 2.93Å; V319-Q349 PolarHBondContact O-N 3.37Å; Q349-E353 PolarHBondContact NE2-O 3.04Å; Q349-T354 PolarHBondContact NE2-O 3.31Å; Q349-P356 HydrophobicContact CB-CB 4.33Å; Q349-L527 HydrophobicContact CB-CD1 4.44Å
350	R	92.1	Very high	92.5	Very high	77 Å²	77	28 Å²	28	29%	0.291	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	138.1	169.6	-49.7	-169.4	-168.9	107	0.3	109.8	L317 G352 E353 F357	L317-R350 CarbonylContact O-C 3.54Å; L317-R350 WeakPolarHBondContact O-CA 3.47Å; R350-G352 PolarHBondContact O-N 2.99Å; R350-G352 VanDerWaalsContact O-N 3.17Å; R350-E353 HydrophobicContact CB-CG 4.16Å; R350-E353 WeakPolarHBondContact CD-OE1 3.28Å; R350-E353 IonicContact CZ-OE1 3.87Å; R350-E353 IonicContact NH1-OE1 3Å; R350-E353 PolarHBondContact NH1-OE1 3.29Å; R350-E353 IonicContact NH1-OE2 3.78Å; R350-E353 PolarHBondContact O-N 2.76Å; R350-F357 HydrophobicContact CG-CD1 3.82Å; R350-F357 HydrophobicContact CG-CE1 3.5Å; R350-F357 VanDerWaalsContact CG-CE1 3.5Å; R350-F357 HydrophobicContact CG-CZ 4.35Å
351	Q	87.9	Confident	92.5	Very high	39 Å²	39	26.3 Å²	26.3	18%	0.182	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	120.8	178.9	-177.1	62.9	37.9	0	0	110.4	I314 L317	I314-Q351 HydrophobicContact CG2-CG 4.28Å; L317-Q351 HydrophobicContact CB-CB 4.14Å; L317-Q351 PolarHBondContact O-N 3.33Å
352	G	81.3	Confident	92.4	Very high	52 Å²	52	26.3 Å²	26.3	54%	0.536	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	105.4	-20.4	-178	0	0	0	0	0	114	R350	R350-G352 PolarHBondContact O-N 2.99Å; R350-G352 VanDerWaalsContact O-N 3.17Å
353	E	86.5	Confident	92.3	Very high	71 Å²	71	26.2 Å²	26.2	33%	0.332	14%	0.139	S	C	.	.			trans	-80.3	148.8	171.1	-65.3	173.9	-175.6	0	0	110.2	Q349 R350 Q531	Q349-E353 PolarHBondContact NE2-O 3.04Å; R350-E353 HydrophobicContact CB-CG 4.16Å; R350-E353 WeakPolarHBondContact CD-OE1 3.28Å; R350-E353 IonicContact CZ-OE1 3.87Å; R350-E353 IonicContact NH1-OE1 3Å; R350-E353 PolarHBondContact NH1-OE1 3.29Å; R350-E353 IonicContact NH1-OE2 3.78Å; R350-E353 PolarHBondContact O-N 2.76Å; E353-Q531 PolarHBondContact O-NE2 3.07Å; E353-Q531 VanDerWaalsContact O-NE2 3.14Å
354	T	81.8	Confident	92.1	Very high	110 Å²	110	27.3 Å²	27.3	68%	0.675	15%	0.145	S	C	*	.	S	Bend	trans	-79.2	-28	178.4	44.9	0	0	0	0	112.6	Q349	Q349-T354 PolarHBondContact NE2-O 3.31Å
355	E	86.4	Confident	91.8	Very high	84 Å²	84	31.1 Å²	31.1	39%	0.393	16%	0.163	S	C	.	.	S	Bend	trans	-122.9	151.4	-171	-72.8	169.3	-143	0	0	113	F41	F41-E355 HydrophobicContact CE1-CG 4.29Å; F41-E355 VanDerWaalsContact CE1-OE1 3.28Å; F41-E355 WeakPolarHBondContact CE1-OE1 3.18Å; F41-E355 WeakPolarHBondContact CE1-OE2 3.35Å; F41-E355 HydrophobicContact CZ-CG 4.3Å
356	P	92.7	Very high	91.5	Very high	7 Å²	7	33.4 Å²	33.4	5%	0.045	18%	0.179	C	C	.	.			trans	-76.8	132.6	171.9	30.5	-31.3	0	0	0	110.9	V348 Q349 R359 Y524	V348-P356 CarbonylContact O-C 3.58Å; V348-P356 VanDerWaalsContact O-CA 3.23Å; V348-P356 WeakPolarHBondContact O-CA 3.45Å; V348-P356 WeakPolarHBondContact O-CB 3.47Å; Q349-P356 HydrophobicContact CB-CB 4.33Å; P356-R359 HydrophobicContact CG-CG 4.38Å; P356-Y524 HydrophobicContact CG-CD2 4.44Å; P356-Y524 HydrophobicContact CG-CE2 4.11Å
357	F	91.8	Very high	91.3	Very high	46 Å²	46	33.7 Å²	33.7	20%	0.202	18%	0.181	C	C	.	.	S	Bend	trans	-91.8	-9.4	179.6	73.9	-82.1	0	0	0	113.5	V348 R350	V348-F357 HydrophobicContact CB-CE1 4.21Å; V348-F357 HydrophobicContact CB-CZ 4.39Å; V348-F357 HydrophobicContact CG1-CE1 3.8Å; V348-F357 HydrophobicContact CG1-CZ 3.95Å; V348-F357 WeakPolarHBondContact O-CD1 3.32Å; V348-F357 PolarHBondContact O-N 2.83Å; R350-F357 HydrophobicContact CG-CD1 3.82Å; R350-F357 HydrophobicContact CG-CE1 3.5Å; R350-F357 VanDerWaalsContact CG-CE1 3.5Å; R350-F357 HydrophobicContact CG-CZ 4.35Å
358	I	91.9	Very high	91	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.026	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.3	170.7	-56.2	174.6	0	0	0	108.2	W74 M347 V348 T360 F391 V395	W74-I358 HydrophobicContact CB-CD1 4.43Å; W74-I358 HydrophobicContact CG-CD1 4.26Å; M347-I358 WeakPolarHBondContact CA-O 3.17Å; V348-I358 HydrophobicContact CB-CB 3.86Å; V348-I358 HydrophobicContact CB-CD1 4.05Å; V348-I358 HydrophobicContact CB-CG1 4.21Å; V348-I358 HydrophobicContact CG2-CB 3.92Å; V348-I358 HydrophobicContact CG2-CD1 4.02Å; V348-I358 HydrophobicContact CG2-CG1 4.44Å; V348-I358 HydrophobicContact CG2-CG2 4.28Å; V348-I358 PolarHBondContact N-O 3.49Å; V348-I358 PolarHBondContact O-N 2.81Å; I358-T360 WeakPolarHBondContact CG2-OG1 3.26Å; I358-F391 HydrophobicContact CG2-CE2 4Å; I358-F391 HydrophobicContact CG2-CZ 4.21Å; I358-V395 HydrophobicContact CD1-CG1 4.37Å; I358-V395 HydrophobicContact CD1-CG2 3.94Å
359	R	93.5	Very high	90.7	Very high	44 Å²	44	37 Å²	37	17%	0.166	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	111.5	174.1	-48	-173.6	-171.7	-176.9	1.1	107.5	M347 P356 G372 Q374	M347-R359 HydrophobicContact CE-CB 4.27Å; M347-R359 HydrophobicContact CE-CG 4.33Å; M347-R359 HydrophobicContact SD-CB 3.6Å; M347-R359 VanDerWaalsContact SD-CB 3.6Å; M347-R359 HydrophobicContact SD-CG 3.57Å; M347-R359 VanDerWaalsContact SD-CG 3.57Å; P356-R359 HydrophobicContact CG-CG 4.38Å; R359-G372 WeakPolarHBondContact CD-O 3.42Å; R359-Q374 PolarHBondContact O-N 2.9Å
360	T	92.8	Very high	90.4	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	138.1	-172.7	-54.4	0	0	0	0	111.6	W74 S346 I358 F362 Q374 L376	W74-T360 HydrophobicContact CH2-CG2 4.43Å; W74-T360 HydrophobicContact CZ2-CG2 4.01Å; S346-T360 PolarHBondContact N-O 2.94Å; S346-T360 PolarHBondContact O-N 3.29Å; I358-T360 WeakPolarHBondContact CG2-OG1 3.26Å; T360-F362 HydrophobicContact CG2-CD2 4.19Å; T360-F362 HydrophobicContact CG2-CE2 3.64Å; T360-F362 HydrophobicContact CG2-CZ 3.98Å; T360-Q374 CarbonylContact C-O 3.6Å; T360-Q374 VanDerWaalsContact CA-O 3.28Å; T360-Q374 WeakPolarHBondContact CA-O 3.38Å; T360-Q374 HydrophobicContact CG2-CB 4.45Å; T360-L376 HydrophobicContact CG2-CD1 3.82Å; T360-L376 HydrophobicContact CG2-CG 4.21Å
361	V	95.1	Very high	90.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	126.2	172	-167.3	0	0	0	0	109.9	I344 A345 T363 Q374 L376 A516 L520	I344-V361 WeakPolarHBondContact O-CA 3.47Å; A345-V361 HydrophobicContact CB-CG2 4.48Å; V361-T363 HydrophobicContact CB-CG2 4.31Å; V361-T363 HydrophobicContact CG1-CG2 3.54Å; V361-Q374 PolarHBondContact N-O 2.81Å; V361-L376 PolarHBondContact O-N 3.18Å; V361-A516 HydrophobicContact CG1-CB 4.03Å; V361-A516 HydrophobicContact CG2-CB 4.5Å; V361-L520 HydrophobicContact CG2-CD1 3.53Å; V361-L520 HydrophobicContact CG2-CD2 3.48Å; V361-L520 VanDerWaalsContact CG2-CD2 3.48Å; V361-L520 HydrophobicContact CG2-CG 3.37Å
362	F	94.9	Very high	89.9	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	113.5	170.7	-59.3	-105	0	0	0	107.5	W74 Q343 I344 T360 L376 F378 L384 W388 F391	W74-F362 HydrophobicContact CH2-CZ 4.31Å; Q343-F362 CarbonylContact C-O 3.6Å; Q343-F362 VanDerWaalsContact CA-O 3.23Å; Q343-F362 WeakPolarHBondContact CA-O 3.31Å; I344-F362 HydrophobicContact CB-CB 4.36Å; I344-F362 PolarHBondContact N-O 3.49Å; I344-F362 PolarHBondContact O-N 2.62Å; T360-F362 HydrophobicContact CG2-CD2 4.19Å; T360-F362 HydrophobicContact CG2-CE2 3.64Å; T360-F362 HydrophobicContact CG2-CZ 3.98Å; F362-L376 CarbonylContact C-O 3.59Å; F362-L376 WeakPolarHBondContact CA-O 3.14Å; F362-L376 HydrophobicContact CD1-CB 4.31Å; F362-L376 HydrophobicContact CD1-CD1 3.93Å; F362-L376 HydrophobicContact CE1-CD1 3.49Å; F362-L376 VanDerWaalsContact CE1-CD1 3.49Å; F362-L376 HydrophobicContact CZ-CD1 3.83Å; F362-F378 HydrophobicContact CB-CE2 4.12Å; F362-F378 AromaticContact CD1-CE2 3.7Å; F362-F378 HydrophobicContact CD1-CE2 3.7Å; F362-F378 HydrophobicContact CD1-CZ 4.06Å; F362-F378 HydrophobicContact CG-CE2 4.38Å; F362-L384 HydrophobicContact CB-CD2 4.34Å; F362-L384 HydrophobicContact CB-CG 4.09Å; F362-W388 HydrophobicContact CD1-CB 4.35Å; F362-W388 AromaticContact CD2-CD1 3.79Å; F362-W388 HydrophobicContact CE1-CB 4.46Å; F362-W388 AromaticContact CE2-CD1 3.73Å; F362-W388 HydrophobicContact CG-CB 4.46Å; F362-F391 HydrophobicContact CE1-CB 4.22Å; F362-F391 HydrophobicContact CE2-CB 4.43Å; F362-F391 HydrophobicContact CE2-CD1 4.13Å; F362-F391 HydrophobicContact CE2-CG 4.12Å; F362-F391 HydrophobicContact CZ-CB 3.57Å; F362-F391 HydrophobicContact CZ-CD1 4.09Å; F362-F391 HydrophobicContact CZ-CD2 4.04Å; F362-F391 AromaticContact CZ-CG 3.64Å; F362-F391 HydrophobicContact CZ-CG 3.64Å
363	T	95.1	Very high	90.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	143.6	-176	65.7	0	0	0	0	111.8	Q343 V361 Q365 C367 I375 L376 C377 F378	Q343-T363 HydrophobicContact CG-CG2 4.09Å; V361-T363 HydrophobicContact CB-CG2 4.31Å; V361-T363 HydrophobicContact CG1-CG2 3.54Å; T363-Q365 PolarHBondContact OG1-O 3.38Å; T363-C367 HydrophobicContact CG2-CB 4.16Å; T363-I375 HydrophobicContact CG2-CG2 4.2Å; T363-L376 PolarHBondContact N-O 3.09Å; T363-C377 WeakPolarHBondContact O-CA 3.19Å; T363-C377 PolarHBondContact OG1-SG 3.5Å; T363-C377 VanDerWaalsContact OG1-SG 3.4Å; T363-F378 PolarHBondContact O-N 3.09Å
364	L	93.2	Very high	90.4	Very high	23 Å²	23	34.5 Å²	34.5	12%	0.12	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	129.1	166	-168.7	68.7	0	0	0	108.5	I342 E381 L384 Q505	I342-L364 HydrophobicContact CG2-CD2 4.21Å; I342-L364 WeakPolarHBondContact O-CB 3.42Å; I342-L364 PolarHBondContact O-N 3.07Å; L364-E381 HydrophobicContact CD1-CB 4.44Å; L364-L384 HydrophobicContact CB-CD1 4.11Å; L364-Q505 PolarHBondContact O-NE2 2.83Å
365	Q	91.6	Very high	90.7	Very high	80 Å²	80	29.3 Å²	29.3	37%	0.374	17%	0.169	S	C	.	.	S	Bend	trans	70.9	176	-169.6	-49.6	176.1	-14	0	0	113.8	T363 C377 F378	T363-Q365 PolarHBondContact OG1-O 3.38Å; Q365-C377 WeakPolarHBondContact O-CB 2.9Å; Q365-F378 PolarHBondContact N-O 3.46Å
366	S	90.9	Very high	90.9	Very high	48 Å²	48	25.6 Å²	25.6	34%	0.336	15%	0.152	S	C	.	.			trans	-68.7	138.9	-178.8	57.8	0	0	0	0	111.9	R512	S366-R512 PolarHBondContact O-NE 3.38Å; S366-R512 PolarHBondContact O-NH2 3.03Å; S366-R512 PolarHBondContact OG-NH2 3.31Å
367	C	91.7	Very high	90.8	Very high	6 Å²	6	25.5 Å²	25.5	4%	0.041	15%	0.151	C	C	.	.			trans	-130.4	142.4	176.5	-178.7	0	0	0	0	108.9	T363 I375 C377 R513	T363-C367 HydrophobicContact CG2-CB 4.16Å; C367-I375 HydrophobicContact CB-CG2 3.95Å; C367-C377 PolarHBondContact N-SG 3.21Å; C367-C377 VanDerWaalsContact N-SG 3.38Å; C367-R513 VanDerWaalsContact SG-CA 3.53Å
368	A	90.2	Very high	90.8	Very high	12 Å²	12	23.6 Å²	23.6	10%	0.099	14%	0.143	C	C	.	.			trans	-69.8	153.8	173.7	0	0	0	0	0	110.7	I375 E509 Q510 R513	A368-I375 WeakPolarHBondContact O-CD1 3.24Å; A368-E509 HydrophobicContact CB-CB 4.4Å; A368-E509 HydrophobicContact CB-CG 4.21Å; A368-E509 PolarHBondContact N-O 2.98Å; A368-Q510 VanDerWaalsContact CB-NE2 3.28Å; A368-R513 HydrophobicContact CB-CB 4.11Å; A368-R513 HydrophobicContact CB-CG 4.4Å
369	S	88.4	Confident	90.7	Very high	65 Å²	65	27 Å²	27	46%	0.455	16%	0.164	S	C	.	.			trans	-62.6	150.2	-176.1	55.4	0	0	0	0	113.1	R513	S369-R513 WeakPolarHBondContact O-CD 3.2Å; S369-R513 PolarHBondContact O-NE 2.93Å
370	I	88.9	Confident	90.6	Very high	16 Å²	16	30.1 Å²	30.1	8%	0.082	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-126.6	121.9	174.6	-64	165.7	0	0	0	106.5	S373 I375 R513 A516 V517 L520	I370-S373 PolarHBondContact O-N 2.91Å; I370-I375 HydrophobicContact CB-CD1 3.95Å; I370-I375 HydrophobicContact CD1-CD1 3.76Å; I370-I375 HydrophobicContact CG1-CD1 3.68Å; I370-R513 HydrophobicContact CD1-CG 4.2Å; I370-R513 HydrophobicContact CG1-CG 3.75Å; I370-A516 HydrophobicContact CD1-CB 3.71Å; I370-V517 HydrophobicContact CD1-CG2 3.73Å; I370-V517 HydrophobicContact CG1-CG2 4.05Å; I370-V517 HydrophobicContact CG2-CG2 4.35Å; I370-L520 HydrophobicContact CD1-CD1 4.07Å; I370-L520 HydrophobicContact CG2-CD1 4.33Å
371	V	84.7	Confident	90.7	Very high	93 Å²	93	31 Å²	31	56%	0.564	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	139.2	-179.6	-178.1	0	0	0	0	110.2	S373	V371-S373 PolarHBondContact O-N 3.46Å; V371-S373 VanDerWaalsContact O-N 3.17Å
372	G	84.3	Confident	90.6	Very high	37 Å²	37	35.2 Å²	35.2	38%	0.381	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	8.8	-178.4	0	0	0	0	0	115.1	R359	R359-G372 WeakPolarHBondContact CD-O 3.42Å
373	S	89.1	Confident	90.5	Very high	13 Å²	13	36.7 Å²	36.7	9%	0.091	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-135.5	132.7	-178.8	-61.6	0	0	0	0	112.6	I370 V371	I370-S373 PolarHBondContact O-N 2.91Å; V371-S373 PolarHBondContact O-N 3.46Å; V371-S373 VanDerWaalsContact O-N 3.17Å
374	Q	88.8	Confident	90.4	Very high	35 Å²	35	36.7 Å²	36.7	16%	0.164	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	128.7	176.6	-173	170.3	30	0	0	111	N71 R359 T360 V361 L376	N71-Q374 PolarHBondContact ND2-OE1 3.33Å; R359-Q374 PolarHBondContact O-N 2.9Å; T360-Q374 CarbonylContact C-O 3.6Å; T360-Q374 VanDerWaalsContact CA-O 3.28Å; T360-Q374 WeakPolarHBondContact CA-O 3.38Å; T360-Q374 HydrophobicContact CG2-CB 4.45Å; V361-Q374 PolarHBondContact N-O 2.81Å; Q374-L376 HydrophobicContact CG-CD2 4.28Å
375	I	89.7	Confident	90.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	126.6	178.6	-53.4	-176.8	0	0	0	110.7	D58 I60 T363 C367 A368 I370	D58-I375 PolarHBondContact O-N 3.2Å; I60-I375 PolarHBondContact N-O 3.43Å; T363-I375 HydrophobicContact CG2-CG2 4.2Å; C367-I375 HydrophobicContact CB-CG2 3.95Å; A368-I375 WeakPolarHBondContact O-CD1 3.24Å; I370-I375 HydrophobicContact CB-CD1 3.95Å; I370-I375 HydrophobicContact CD1-CD1 3.76Å; I370-I375 HydrophobicContact CG1-CD1 3.68Å
376	L	89.7	Confident	90.5	Very high	6 Å²	6	35 Å²	35	3%	0.031	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	109	-179.7	-58.5	177.3	0	0	0	109.4	I60 W74 T360 V361 F362 T363 Q374 F378	I60-L376 HydrophobicContact CB-CD2 4.05Å; I60-L376 HydrophobicContact CD1-CD2 3.37Å; I60-L376 HydrophobicContact CG1-CD2 3.7Å; W74-L376 HydrophobicContact CH2-CD1 3.79Å; W74-L376 HydrophobicContact CZ2-CD1 4.35Å; T360-L376 HydrophobicContact CG2-CD1 3.82Å; T360-L376 HydrophobicContact CG2-CG 4.21Å; V361-L376 PolarHBondContact O-N 3.18Å; F362-L376 CarbonylContact C-O 3.59Å; F362-L376 WeakPolarHBondContact CA-O 3.14Å; F362-L376 HydrophobicContact CD1-CB 4.31Å; F362-L376 HydrophobicContact CD1-CD1 3.93Å; F362-L376 HydrophobicContact CE1-CD1 3.49Å; F362-L376 VanDerWaalsContact CE1-CD1 3.49Å; F362-L376 HydrophobicContact CZ-CD1 3.83Å; T363-L376 PolarHBondContact N-O 3.09Å; Q374-L376 HydrophobicContact CG-CD2 4.28Å; L376-F378 HydrophobicContact CB-CE2 3.69Å; L376-F378 HydrophobicContact CB-CZ 3.91Å; L376-F378 WeakPolarHBondContact O-CD2 3.49Å; L376-F378 WeakPolarHBondContact O-CE2 3.35Å
377	C	91.2	Very high	90.6	Very high	5 Å²	5	32.9 Å²	32.9	3%	0.034	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	127.6	-174.9	-61.1	0	0	0	0	111.6	V62 T363 Q365 C367	V62-C377 HydrophobicContact CG2-CB 3.77Å; T363-C377 WeakPolarHBondContact O-CA 3.19Å; T363-C377 PolarHBondContact OG1-SG 3.5Å; T363-C377 VanDerWaalsContact OG1-SG 3.4Å; Q365-C377 WeakPolarHBondContact O-CB 2.9Å; C367-C377 PolarHBondContact N-SG 3.21Å; C367-C377 VanDerWaalsContact N-SG 3.38Å
378	F	90.9	Very high	90.7	Very high	6 Å²	6	32.6 Å²	32.6	3%	0.026	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	148.3	-179	-58.1	-81.7	0	0	0	112.1	F362 T363 Q365 L376 Q383 L384 S387	F362-F378 HydrophobicContact CB-CE2 4.12Å; F362-F378 AromaticContact CD1-CE2 3.7Å; F362-F378 HydrophobicContact CD1-CE2 3.7Å; F362-F378 HydrophobicContact CD1-CZ 4.06Å; F362-F378 HydrophobicContact CG-CE2 4.38Å; T363-F378 PolarHBondContact O-N 3.09Å; Q365-F378 PolarHBondContact N-O 3.46Å; L376-F378 HydrophobicContact CB-CE2 3.69Å; L376-F378 HydrophobicContact CB-CZ 3.91Å; L376-F378 WeakPolarHBondContact O-CD2 3.49Å; L376-F378 WeakPolarHBondContact O-CE2 3.35Å; F378-Q383 HydrophobicContact CB-CB 4.38Å; F378-Q383 HydrophobicContact CD1-CB 3.86Å; F378-Q383 HydrophobicContact CG-CB 4.4Å; F378-L384 HydrophobicContact CB-CB 4.15Å; F378-L384 HydrophobicContact CD2-CB 3.86Å; F378-L384 HydrophobicContact CD2-CD1 4.45Å; F378-L384 HydrophobicContact CD2-CG 4.02Å; F378-L384 HydrophobicContact CG-CB 4.09Å; F378-S387 WeakPolarHBondContact CE1-OG 3.44Å; F378-S387 VanDerWaalsContact CZ-CB 3.45Å; F378-S387 WeakPolarHBondContact CZ-OG 3.25Å
379	T	90.4	Very high	90.9	Very high	76 Å²	76	32 Å²	32	47%	0.466	18%	0.179	S	C	.	.	S	Bend	trans	-83.6	-33.2	174.8	57.4	0	0	0	0	112.4	V62 Q383	V62-T379 HydrophobicContact CG1-CG2 3.28Å; T379-Q383 PolarHBondContact OG1-OE1 2.84Å
380	Q	91.7	Very high	91	Very high	110 Å²	110	32.2 Å²	32.2	51%	0.514	17%	0.173	S	C	.	.	S	Bend	trans	-120	137	-177.3	-61.2	-175.7	29.8	0	0	111.1	K382 Q383 L384	Q380-K382 PolarHBondContact O-N 3.35Å; Q380-K382 VanDerWaalsContact O-N 3.17Å; Q380-Q383 HydrophobicContact CB-CG 4.26Å; Q380-Q383 WeakPolarHBondContact O-CB 3.43Å; Q380-Q383 PolarHBondContact O-N 2.81Å; Q380-L384 PolarHBondContact O-N 3.46Å
381	E	94.5	Very high	91.2	Very high	19 Å²	19	31.4 Å²	31.4	9%	0.089	17%	0.169	C	C	.	.	H	α-helix	trans	-56.8	-33.5	176.8	-175.3	179.8	-177	0	0	112.6	P340 V341 L364 Q383 L384 L385 R416 L420	P340-E381 WeakPolarHBondContact CA-OE1 3.4Å; P340-E381 WeakPolarHBondContact CB-OE2 3.3Å; V341-E381 PolarHBondContact N-OE1 3.36Å; L364-E381 HydrophobicContact CD1-CB 4.44Å; E381-Q383 VanDerWaalsContact C-N 3.3Å; E381-Q383 PolarHBondContact O-N 3.08Å; E381-L384 WeakPolarHBondContact O-CB 3.44Å; E381-L384 PolarHBondContact O-N 3.09Å; E381-L385 HydrophobicContact CG-CD1 4.27Å; E381-L385 HydrophobicContact CG-CG 4.44Å; E381-L385 WeakPolarHBondContact O-CG 3.38Å; E381-L385 PolarHBondContact O-N 3.49Å; E381-R416 VanDerWaalsContact CD-NE 3.31Å; E381-R416 WeakPolarHBondContact OE1-CD 3.38Å; E381-R416 WeakPolarHBondContact OE1-CG 3.23Å; E381-R416 IonicContact OE1-CZ 2.73Å; E381-R416 IonicContact OE1-NE 3.34Å; E381-R416 PolarHBondContact OE1-NE 2.89Å; E381-R416 IonicContact OE1-NH2 2.72Å; E381-R416 IonicContact OE2-CZ 3.07Å; E381-R416 IonicContact OE2-NE 3.67Å; E381-R416 PolarHBondContact OE2-NE 2.75Å; E381-R416 VanDerWaalsContact OE2-NE 3.15Å; E381-R416 IonicContact OE2-NH2 2.89Å; E381-R416 PolarHBondContact OE2-NH2 2.81Å; E381-L420 HydrophobicContact CB-CD1 4.19Å; E381-L420 VanDerWaalsContact CD-CD1 3.47Å; E381-L420 HydrophobicContact CG-CD1 3.78Å; E381-L420 WeakPolarHBondContact OE2-CD1 3.48Å
382	K	93.7	Very high	91.7	Very high	90 Å²	90	27 Å²	27	39%	0.391	14%	0.142	S	C	.	.	H	α-helix	trans	-59.8	-40.7	176.3	-61.8	-172.2	-173	-167.7	0	112.3	Q380 Q386 L420 V422	Q380-K382 PolarHBondContact O-N 3.35Å; Q380-K382 VanDerWaalsContact O-N 3.17Å; K382-Q386 WeakPolarHBondContact O-CB 3.25Å; K382-Q386 WeakPolarHBondContact O-CG 3.45Å; K382-Q386 PolarHBondContact O-N 2.93Å; K382-L420 WeakPolarHBondContact CE-O 3.37Å; K382-L420 HydrophobicContact CG-CB 4.2Å; K382-L420 HydrophobicContact CG-CD1 4.4Å; K382-L420 PolarHBondContact NZ-O 3.01Å; K382-V422 HydrophobicContact CB-CG2 4.03Å; K382-V422 HydrophobicContact CD-CG2 4.39Å; K382-V422 HydrophobicContact CG-CG2 3.88Å
383	Q	91.4	Very high	92.1	Very high	31 Å²	31	27.6 Å²	27.6	15%	0.145	13%	0.133	C	C	.	.	H	α-helix	trans	-69.5	-40	178.6	-64.8	172.6	-32.2	0	0	110.7	L65 F378 T379 Q380 E381 Q386 S387	L65-Q383 HydrophobicContact CD2-CG 4.48Å; F378-Q383 HydrophobicContact CB-CB 4.38Å; F378-Q383 HydrophobicContact CD1-CB 3.86Å; F378-Q383 HydrophobicContact CG-CB 4.4Å; T379-Q383 PolarHBondContact OG1-OE1 2.84Å; Q380-Q383 HydrophobicContact CB-CG 4.26Å; Q380-Q383 WeakPolarHBondContact O-CB 3.43Å; Q380-Q383 PolarHBondContact O-N 2.81Å; E381-Q383 VanDerWaalsContact C-N 3.3Å; E381-Q383 PolarHBondContact O-N 3.08Å; Q383-Q386 PolarHBondContact O-N 3.07Å; Q383-S387 VanDerWaalsContact O-CB 3.27Å; Q383-S387 WeakPolarHBondContact O-CB 3.39Å; Q383-S387 PolarHBondContact O-N 3.13Å; Q383-S387 PolarHBondContact O-OG 3.3Å
384	L	93.6	Very high	92.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-58.2	-53.2	175.4	-174	160.8	0	0	0	110.8	I344 F362 L364 F378 Q380 E381 Q386 S387 W388	I344-L384 HydrophobicContact CD1-CD2 3.49Å; I344-L384 VanDerWaalsContact CD1-CD2 3.49Å; I344-L384 HydrophobicContact CG1-CD2 3.92Å; F362-L384 HydrophobicContact CB-CD2 4.34Å; F362-L384 HydrophobicContact CB-CG 4.09Å; L364-L384 HydrophobicContact CB-CD1 4.11Å; F378-L384 HydrophobicContact CB-CB 4.15Å; F378-L384 HydrophobicContact CD2-CB 3.86Å; F378-L384 HydrophobicContact CD2-CD1 4.45Å; F378-L384 HydrophobicContact CD2-CG 4.02Å; F378-L384 HydrophobicContact CG-CB 4.09Å; Q380-L384 PolarHBondContact O-N 3.46Å; E381-L384 WeakPolarHBondContact O-CB 3.44Å; E381-L384 PolarHBondContact O-N 3.09Å; L384-Q386 PolarHBondContact O-N 3.48Å; L384-S387 PolarHBondContact O-N 3.5Å; L384-W388 PolarHBondContact O-N 3.19Å
385	L	95.1	Very high	92.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.2	-44.4	179.3	-68.5	174	0	0	0	111.9	I344 E381 S387 W388 A389 L413 R416 A417 L420 F425	I344-L385 HydrophobicContact CD1-CD2 4.45Å; E381-L385 HydrophobicContact CG-CD1 4.27Å; E381-L385 HydrophobicContact CG-CG 4.44Å; E381-L385 WeakPolarHBondContact O-CG 3.38Å; E381-L385 PolarHBondContact O-N 3.49Å; L385-S387 VanDerWaalsContact C-N 3.35Å; L385-S387 PolarHBondContact O-N 2.82Å; L385-W388 PolarHBondContact O-N 3.14Å; L385-A389 WeakPolarHBondContact O-CB 3.45Å; L385-A389 PolarHBondContact O-N 2.8Å; L385-L413 HydrophobicContact CD2-CD2 3.62Å; L385-R416 HydrophobicContact CD1-CG 4.36Å; L385-A417 HydrophobicContact CD1-CB 4.37Å; L385-L420 HydrophobicContact CD1-CD1 4Å; L385-F425 HydrophobicContact CB-CD2 3.8Å; L385-F425 HydrophobicContact CB-CE2 3.99Å; L385-F425 HydrophobicContact CD2-CE2 3.97Å; L385-F425 HydrophobicContact CD2-CZ 4.37Å; L385-F425 VanDerWaalsContact O-CD2 3.23Å; L385-F425 WeakPolarHBondContact O-CD2 3.28Å; L385-F425 WeakPolarHBondContact O-CE2 3.37Å
386	Q	92.7	Very high	92.8	Very high	68 Å²	68	26.7 Å²	26.7	32%	0.318	13%	0.129	S	C	.	.	H	α-helix	trans	-60.7	-44.6	177.1	-76.5	173.2	-18.5	0	0	111.9	K382 Q383 L384 A389 E390 V422	K382-Q386 WeakPolarHBondContact O-CB 3.25Å; K382-Q386 WeakPolarHBondContact O-CG 3.45Å; K382-Q386 PolarHBondContact O-N 2.93Å; Q383-Q386 PolarHBondContact O-N 3.07Å; L384-Q386 PolarHBondContact O-N 3.48Å; Q386-A389 PolarHBondContact O-N 3.49Å; Q386-E390 PolarHBondContact O-N 3.44Å; Q386-V422 HydrophobicContact CG-CG1 3.5Å; Q386-V422 VanDerWaalsContact CG-CG1 3.5Å
387	S	91.1	Very high	93.2	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.014	13%	0.127	C	C	.	.	H	α-helix	trans	-68.2	-39.6	-178.4	-57.5	0	0	0	0	111.8	F378 Q383 L384 L385 E390 F391	F378-S387 WeakPolarHBondContact CE1-OG 3.44Å; F378-S387 VanDerWaalsContact CZ-CB 3.45Å; F378-S387 WeakPolarHBondContact CZ-OG 3.25Å; Q383-S387 VanDerWaalsContact O-CB 3.27Å; Q383-S387 WeakPolarHBondContact O-CB 3.39Å; Q383-S387 PolarHBondContact O-N 3.13Å; Q383-S387 PolarHBondContact O-OG 3.3Å; L384-S387 PolarHBondContact O-N 3.5Å; L385-S387 VanDerWaalsContact C-N 3.35Å; L385-S387 PolarHBondContact O-N 2.82Å; S387-E390 PolarHBondContact O-N 3.4Å; S387-F391 WeakPolarHBondContact O-CB 3.41Å; S387-F391 PolarHBondContact O-N 2.67Å
388	W	94.8	Very high	93.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.5	-39.7	174.4	-175.9	78.8	0	0	0	112.4	F322 I344 S346 F362 L384 L385 E390 F391 L392 F410 L413 F425 L428	F322-W388 HydrophobicContact CB-CZ2 4.4Å; F322-W388 HydrophobicContact CD1-CZ2 4.22Å; F322-W388 HydrophobicContact CD2-CH2 4.24Å; F322-W388 AromaticContact CD2-CZ2 3.63Å; F322-W388 HydrophobicContact CD2-CZ2 3.63Å; F322-W388 HydrophobicContact CE1-CZ2 4.42Å; F322-W388 AromaticContact CE2-CH2 3.98Å; F322-W388 HydrophobicContact CE2-CH2 3.98Å; F322-W388 AromaticContact CE2-CZ2 3.86Å; F322-W388 HydrophobicContact CE2-CZ2 3.86Å; F322-W388 AromaticContact CG-CZ2 3.82Å; F322-W388 HydrophobicContact CG-CZ2 3.82Å; F322-W388 HydrophobicContact CZ-CH2 4.14Å; F322-W388 HydrophobicContact CZ-CZ2 4.26Å; I344-W388 HydrophobicContact CD1-CB 4.02Å; I344-W388 HydrophobicContact CD1-CD2 4.21Å; I344-W388 HydrophobicContact CD1-CG 3.9Å; I344-W388 VanDerWaalsContact CG2-CD1 3.47Å; I344-W388 HydrophobicContact CG2-CD2 4.3Å; I344-W388 HydrophobicContact CG2-CG 4.06Å; I344-W388 VanDerWaalsContact CG2-NE1 3.32Å; S346-W388 PolarHBondContact OG-NE1 2.83Å; S346-W388 VanDerWaalsContact OG-NE1 3.12Å; F362-W388 HydrophobicContact CD1-CB 4.35Å; F362-W388 AromaticContact CD2-CD1 3.79Å; F362-W388 HydrophobicContact CE1-CB 4.46Å; F362-W388 AromaticContact CE2-CD1 3.73Å; F362-W388 HydrophobicContact CG-CB 4.46Å; L384-W388 PolarHBondContact O-N 3.19Å; L385-W388 PolarHBondContact O-N 3.14Å; W388-E390 VanDerWaalsContact C-N 3.31Å; W388-E390 PolarHBondContact O-N 3.07Å; W388-F391 WeakPolarHBondContact O-CB 3.48Å; W388-F391 PolarHBondContact O-N 3.26Å; W388-L392 PolarHBondContact O-N 2.69Å; W388-F410 HydrophobicContact CH2-CE1 4.01Å; W388-L413 HydrophobicContact CE3-CD1 4.49Å; W388-L413 HydrophobicContact CH2-CD1 3.99Å; W388-L413 HydrophobicContact CZ3-CD1 3.9Å; W388-F425 AromaticContact CE3-CE2 3.86Å; W388-F425 HydrophobicContact CE3-CE2 3.86Å; W388-F425 AromaticContact CE3-CZ 3.92Å; W388-F425 HydrophobicContact CE3-CZ 3.92Å; W388-F425 HydrophobicContact CZ3-CE2 4.28Å; W388-F425 AromaticContact CZ3-CZ 3.88Å; W388-F425 HydrophobicContact CZ3-CZ 3.88Å; W388-L428 HydrophobicContact CZ3-CD2 4.38Å
389	A	93.8	Very high	93.8	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.6	-36.9	174.9	0	0	0	0	0	111.8	L385 Q386 L392 R393 F425 L428	L385-A389 WeakPolarHBondContact O-CB 3.45Å; L385-A389 PolarHBondContact O-N 2.8Å; Q386-A389 PolarHBondContact O-N 3.49Å; A389-L392 PolarHBondContact O-N 2.79Å; A389-R393 VanDerWaalsContact C-CZ 3.46Å; A389-R393 WeakPolarHBondContact O-CG 3.34Å; A389-R393 VanDerWaalsContact O-CZ 3.24Å; A389-R393 PolarHBondContact O-N 2.88Å; A389-R393 VanDerWaalsContact O-N 3.15Å; A389-R393 PolarHBondContact O-NH1 3.28Å; A389-F425 HydrophobicContact CB-CD2 3.84Å; A389-F425 HydrophobicContact CB-CE2 4.14Å; A389-L428 HydrophobicContact CB-CD2 4.08Å
390	E	91.3	Very high	94.1	Very high	69 Å²	69	22.3 Å²	22.3	32%	0.322	10%	0.103	S	C	.	.	H	α-helix	trans	-68.5	-40.8	174.8	-168.3	65	-165.8	0	0	112.1	F66 Q386 S387 W388 L392 R393 T394	F66-E390 HydrophobicContact CD1-CB 4.19Å; F66-E390 HydrophobicContact CD1-CG 3.85Å; F66-E390 HydrophobicContact CE1-CG 4.03Å; Q386-E390 PolarHBondContact O-N 3.44Å; S387-E390 PolarHBondContact O-N 3.4Å; W388-E390 VanDerWaalsContact C-N 3.31Å; W388-E390 PolarHBondContact O-N 3.07Å; E390-L392 PolarHBondContact O-N 3.45Å; E390-R393 VanDerWaalsContact CA-NH2 3.33Å; E390-R393 PolarHBondContact O-N 2.85Å; E390-R393 IonicContact OE2-CZ 2.98Å; E390-R393 VanDerWaalsContact OE2-CZ 3.27Å; E390-R393 IonicContact OE2-NE 3.85Å; E390-R393 PolarHBondContact OE2-NE 3.21Å; E390-R393 IonicContact OE2-NH2 2.93Å; E390-R393 PolarHBondContact OE2-NH2 2.81Å; E390-T394 WeakPolarHBondContact O-CB 3.45Å; E390-T394 PolarHBondContact O-N 3.43Å; E390-T394 PolarHBondContact O-OG1 3.46Å
391	F	93.1	Very high	94.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-55.8	-49.8	171	163.9	-100.3	0	0	0	111.4	W74 L320 V348 I358 F362 S387 W388 R393 T394 V395	W74-F391 AromaticContact CD2-CD2 3.86Å; W74-F391 HydrophobicContact CD2-CD2 3.86Å; W74-F391 HydrophobicContact CD2-CE2 4.07Å; W74-F391 AromaticContact CE2-CD2 4Å; W74-F391 AromaticContact CE2-CE2 3.97Å; W74-F391 AromaticContact CE3-CD2 3.59Å; W74-F391 HydrophobicContact CE3-CD2 3.59Å; W74-F391 HydrophobicContact CE3-CE2 4.27Å; W74-F391 AromaticContact CH2-CD2 3.63Å; W74-F391 HydrophobicContact CH2-CD2 3.63Å; W74-F391 HydrophobicContact CH2-CE2 4.27Å; W74-F391 AromaticContact CZ2-CD2 3.92Å; W74-F391 HydrophobicContact CZ2-CD2 3.92Å; W74-F391 HydrophobicContact CZ2-CE2 4.1Å; W74-F391 HydrophobicContact CZ3-CB 4.06Å; W74-F391 AromaticContact CZ3-CD2 3.44Å; W74-F391 HydrophobicContact CZ3-CD2 3.44Å; W74-F391 VanDerWaalsContact CZ3-CD2 3.44Å; W74-F391 HydrophobicContact CZ3-CE2 4.34Å; W74-F391 HydrophobicContact CZ3-CG 4.23Å; L320-F391 HydrophobicContact CD1-CE1 4.12Å; L320-F391 HydrophobicContact CD1-CZ 4.49Å; V348-F391 HydrophobicContact CG2-CZ 4.14Å; I358-F391 HydrophobicContact CG2-CE2 4Å; I358-F391 HydrophobicContact CG2-CZ 4.21Å; F362-F391 HydrophobicContact CE1-CB 4.22Å; F362-F391 HydrophobicContact CE2-CB 4.43Å; F362-F391 HydrophobicContact CE2-CD1 4.13Å; F362-F391 HydrophobicContact CE2-CG 4.12Å; F362-F391 HydrophobicContact CZ-CB 3.57Å; F362-F391 HydrophobicContact CZ-CD1 4.09Å; F362-F391 HydrophobicContact CZ-CD2 4.04Å; F362-F391 AromaticContact CZ-CG 3.64Å; F362-F391 HydrophobicContact CZ-CG 3.64Å; S387-F391 WeakPolarHBondContact O-CB 3.41Å; S387-F391 PolarHBondContact O-N 2.67Å; W388-F391 WeakPolarHBondContact O-CB 3.48Å; W388-F391 PolarHBondContact O-N 3.26Å; F391-R393 VanDerWaalsContact C-N 3.29Å; F391-R393 PolarHBondContact O-N 2.82Å; F391-T394 PolarHBondContact O-N 3.43Å; F391-T394 VanDerWaalsContact O-N 3.12Å; F391-V395 HydrophobicContact CD2-CG2 3.65Å; F391-V395 HydrophobicContact CE1-CG2 4.36Å; F391-V395 HydrophobicContact CE2-CG2 3.37Å; F391-V395 HydrophobicContact CG-CG2 4.31Å; F391-V395 HydrophobicContact CZ-CG2 3.76Å; F391-V395 WeakPolarHBondContact O-CB 3.38Å; F391-V395 WeakPolarHBondContact O-CG2 3.24Å; F391-V395 PolarHBondContact O-N 3.35Å
392	L	94.6	Very high	94.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-58.5	-42	178.6	-176.6	69	0	0	0	111.9	L320 W388 A389 E390 D396 P397 I400 L428	L320-L392 HydrophobicContact CD2-CD1 3.33Å; W388-L392 PolarHBondContact O-N 2.69Å; A389-L392 PolarHBondContact O-N 2.79Å; E390-L392 PolarHBondContact O-N 3.45Å; L392-D396 PolarHBondContact O-N 2.66Å; L392-P397 HydrophobicContact CD1-CG 3.54Å; L392-P397 VanDerWaalsContact O-CD 3.29Å; L392-P397 WeakPolarHBondContact O-CD 3.48Å; L392-I400 HydrophobicContact CD1-CD1 3.97Å; L392-I400 HydrophobicContact CD2-CD1 4.49Å; L392-L428 HydrophobicContact CD2-CB 3.93Å; L392-L428 HydrophobicContact CD2-CD2 3.8Å; L392-L428 HydrophobicContact CD2-CG 4.37Å
393	R	93.4	Very high	94.6	Very high	50 Å²	50	13 Å²	13	19%	0.189	6%	0.06	C	C	.	.	H	α-helix	trans	-65.7	-41.2	176	-73.1	-175.9	-69.8	-85.6	1	112.2	L290 A389 E390 F391 Y427	L290-R393 HydrophobicContact CD1-CB 4.19Å; L290-R393 HydrophobicContact CD1-CG 3.83Å; A389-R393 VanDerWaalsContact C-CZ 3.46Å; A389-R393 WeakPolarHBondContact O-CG 3.34Å; A389-R393 VanDerWaalsContact O-CZ 3.24Å; A389-R393 PolarHBondContact O-N 2.88Å; A389-R393 VanDerWaalsContact O-N 3.15Å; A389-R393 PolarHBondContact O-NH1 3.28Å; E390-R393 VanDerWaalsContact CA-NH2 3.33Å; E390-R393 PolarHBondContact O-N 2.85Å; E390-R393 IonicContact OE2-CZ 2.98Å; E390-R393 VanDerWaalsContact OE2-CZ 3.27Å; E390-R393 IonicContact OE2-NE 3.85Å; E390-R393 PolarHBondContact OE2-NE 3.21Å; E390-R393 IonicContact OE2-NH2 2.93Å; E390-R393 PolarHBondContact OE2-NH2 2.81Å; F391-R393 VanDerWaalsContact C-N 3.29Å; F391-R393 PolarHBondContact O-N 2.82Å; R393-Y427 PolarHBondContact NH1-O 2.99Å
394	T	92.1	Very high	94.6	Very high	20 Å²	20	14 Å²	14	12%	0.123	7%	0.066	C	C	.	.	H	α-helix	trans	-72.5	-43.5	-176.6	-57.9	0	0	0	0	112.4	A68 W74 R75 E390 F391 D396	A68-T394 HydrophobicContact CB-CG2 4.19Å; W74-T394 HydrophobicContact CB-CG2 4.28Å; R75-T394 HydrophobicContact CG-CG2 3.71Å; E390-T394 WeakPolarHBondContact O-CB 3.45Å; E390-T394 PolarHBondContact O-N 3.43Å; E390-T394 PolarHBondContact O-OG1 3.46Å; F391-T394 PolarHBondContact O-N 3.43Å; F391-T394 VanDerWaalsContact O-N 3.12Å; T394-D396 VanDerWaalsContact C-N 3.27Å; T394-D396 PolarHBondContact O-N 3.49Å
395	V	94.6	Very high	94.7	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-67.3	-32.2	176.8	170	0	0	0	0	111.6	W74 R318 V348 I358 F391	W74-V395 HydrophobicContact CB-CG2 4.1Å; W74-V395 HydrophobicContact CG-CG2 4.34Å; W74-V395 WeakPolarHBondContact O-CA 3.29Å; R318-V395 WeakPolarHBondContact CD-O 3.45Å; R318-V395 PolarHBondContact NH1-O 3.18Å; V348-V395 HydrophobicContact CG1-CG1 3.97Å; V348-V395 HydrophobicContact CG2-CG1 3.88Å; I358-V395 HydrophobicContact CD1-CG1 4.37Å; I358-V395 HydrophobicContact CD1-CG2 3.94Å; F391-V395 HydrophobicContact CD2-CG2 3.65Å; F391-V395 HydrophobicContact CE1-CG2 4.36Å; F391-V395 HydrophobicContact CE2-CG2 3.37Å; F391-V395 HydrophobicContact CG-CG2 4.31Å; F391-V395 HydrophobicContact CZ-CG2 3.76Å; F391-V395 WeakPolarHBondContact O-CB 3.38Å; F391-V395 WeakPolarHBondContact O-CG2 3.24Å; F391-V395 PolarHBondContact O-N 3.35Å
396	D	96.2	Very high	94.6	Very high	8 Å²	8	15.3 Å²	15.3	4%	0.043	7%	0.072	C	C	.	.			trans	49.8	59.6	-178.1	-175.2	38.7	0	0	0	113.6	R76 S129 L392 T394 R430 R461	R76-D396 PolarHBondContact NE-O 3.07Å; R76-D396 IonicContact NE-OD2 2.74Å; R76-D396 PolarHBondContact NE-OD2 3.09Å; R76-D396 VanDerWaalsContact NE-OD2 3.16Å; R76-D396 PolarHBondContact NH2-O 3.34Å; S129-D396 WeakPolarHBondContact CB-OD2 3.2Å; S129-D396 PolarHBondContact OG-OD2 2.9Å; L392-D396 PolarHBondContact O-N 2.66Å; T394-D396 VanDerWaalsContact C-N 3.27Å; T394-D396 PolarHBondContact O-N 3.49Å; D396-R430 IonicContact OD1-CZ 3.03Å; D396-R430 IonicContact OD1-NE 2.71Å; D396-R430 PolarHBondContact OD1-NE 3.01Å; D396-R430 IonicContact OD1-NH2 3.64Å; D396-R430 PolarHBondContact OD1-NH2 3.49Å; D396-R430 IonicContact OD2-CZ 3.2Å; D396-R430 IonicContact OD2-NE 3.62Å; D396-R430 IonicContact OD2-NH2 3.02Å; D396-R430 PolarHBondContact OD2-NH2 3.26Å; D396-R461 VanDerWaalsContact C-NH1 3.34Å; D396-R461 IonicContact OD1-CZ 2.79Å; D396-R461 IonicContact OD1-NH1 2.73Å; D396-R461 PolarHBondContact OD1-NH1 3.05Å; D396-R461 IonicContact OD1-NH2 2.77Å; D396-R461 PolarHBondContact OD1-NH2 3.33Å
397	P	97.3	Very high	94.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.067	C	C	.	.			trans	-67.9	145.2	179.3	30	-35.3	0	0	0	112.1	L320 L392 I400 R461	L320-P397 HydrophobicContact CB-CB 3.67Å; L320-P397 HydrophobicContact CB-CG 3.98Å; L320-P397 HydrophobicContact CD2-CG 3.98Å; L392-P397 HydrophobicContact CD1-CG 3.54Å; L392-P397 VanDerWaalsContact O-CD 3.29Å; L392-P397 WeakPolarHBondContact O-CD 3.48Å; P397-I400 HydrophobicContact CG-CD1 4.49Å; P397-I400 HydrophobicContact CG-CG1 4.07Å; P397-R461 PolarHBondContact O-NH1 3.49Å
398	D	97.5	Very high	94.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.077	C	C	.	.	S	Bend	trans	-83.6	-41.7	177.2	-62.5	-56.5	0	0	0	111.3	R76 I94 V123 L317 R318 R430 V462	R76-D398 IonicContact CZ-OD2 2.95Å; R76-D398 IonicContact NH1-OD2 3.48Å; R76-D398 IonicContact NH2-OD1 3.23Å; R76-D398 PolarHBondContact NH2-OD1 3.02Å; R76-D398 IonicContact NH2-OD2 2.75Å; R76-D398 PolarHBondContact NH2-OD2 3.46Å; I94-D398 HydrophobicContact CD1-CB 3.64Å; V123-D398 WeakPolarHBondContact CG2-OD1 3.32Å; L317-D398 WeakPolarHBondContact CA-OD2 3.27Å; L317-D398 HydrophobicContact CB-CB 4.23Å; L317-D398 HydrophobicContact CD2-CB 4.22Å; R318-D398 PolarHBondContact N-OD2 3.4Å; R318-D398 PolarHBondContact O-N 3.26Å; D398-R430 IonicContact OD1-CZ 2.79Å; D398-R430 IonicContact OD1-NH1 2.63Å; D398-R430 PolarHBondContact OD1-NH1 3.41Å; D398-R430 IonicContact OD1-NH2 3.38Å; D398-R430 PolarHBondContact OD1-NH2 3.49Å; D398-V462 PolarHBondContact O-N 2.99Å
399	I	97.1	Very high	94.4	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.01	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	132.5	178	-59.5	176.7	0	0	0	108.1	L317 R318 V319 L320 V462 F464 V536	L317-I399 HydrophobicContact CD1-CD1 4.06Å; R318-I399 PolarHBondContact O-N 2.85Å; R318-I399 VanDerWaalsContact O-N 3.13Å; V319-I399 WeakPolarHBondContact CA-O 3.4Å; V319-I399 HydrophobicContact CG1-CB 4.32Å; V319-I399 HydrophobicContact CG1-CG2 4.23Å; V319-I399 HydrophobicContact CG2-CB 4.3Å; V319-I399 HydrophobicContact CG2-CD1 4.45Å; L320-I399 PolarHBondContact N-O 3.35Å; I399-V462 CarbonylContact C-O 3.58Å; I399-V462 VanDerWaalsContact CA-O 3.31Å; I399-V462 WeakPolarHBondContact CA-O 3.11Å; I399-V462 HydrophobicContact CG1-CB 4.36Å; I399-F464 HydrophobicContact CG2-CB 3.65Å; I399-F464 HydrophobicContact CG2-CG 4.46Å; I399-V536 HydrophobicContact CD1-CG1 3.77Å; I399-V536 HydrophobicContact CD1-CG2 4.16Å
400	I	97.7	Very high	94.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	118.3	169.7	-51.2	170.9	0	0	0	108.1	L320 F322 L392 P397 I405 F410 M458 R461 V462 Q463 F464	L320-I400 HydrophobicContact CD2-CG2 4.36Å; L320-I400 HydrophobicContact CG-CG2 4.5Å; L320-I400 CarbonylContact O-C 3.59Å; L320-I400 WeakPolarHBondContact O-CA 3.45Å; F322-I400 HydrophobicContact CD1-CG2 3.87Å; F322-I400 HydrophobicContact CE1-CG2 3.79Å; L392-I400 HydrophobicContact CD1-CD1 3.97Å; L392-I400 HydrophobicContact CD2-CD1 4.49Å; P397-I400 HydrophobicContact CG-CD1 4.49Å; P397-I400 HydrophobicContact CG-CG1 4.07Å; I400-I405 HydrophobicContact CG2-CD1 4.45Å; I400-F410 HydrophobicContact CD1-CZ 4.28Å; I400-F410 HydrophobicContact CG2-CE2 4.48Å; I400-F410 HydrophobicContact CG2-CZ 3.91Å; I400-M458 HydrophobicContact CD1-SD 3.97Å; I400-R461 HydrophobicContact CD1-CB 4.38Å; I400-V462 PolarHBondContact N-O 2.84Å; I400-Q463 CarbonylContact O-C 3.34Å; I400-Q463 WeakPolarHBondContact O-CA 3.24Å; I400-F464 PolarHBondContact O-N 3.18Å
401	T	97.4	Very high	94.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	175.8	178.2	-169.4	0	0	0	0	110.1	V319 L320 S321 F464 L527 L530	V319-T401 HydrophobicContact CG1-CG2 3.79Å; L320-T401 PolarHBondContact O-N 3Å; S321-T401 WeakPolarHBondContact CA-O 3.02Å; T401-F464 WeakPolarHBondContact CA-O 3.29Å; T401-F464 WeakPolarHBondContact CB-O 3.32Å; T401-F464 PolarHBondContact OG1-O 3.31Å; T401-L527 HydrophobicContact CG2-CD2 3.87Å; T401-L530 HydrophobicContact CG2-CD2 4.37Å
402	G	96.3	Very high	94.9	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.2	-169.8	-177.9	0	0	0	0	0	108.8	L466	G402-L466 WeakPolarHBondContact O-CB 3.18Å; G402-L466 PolarHBondContact O-N 3.32Å
403	Y	95.3	Very high	95	Very high	24 Å²	24	13.7 Å²	13.7	9%	0.094	7%	0.065	C	C	.	.	S	Bend	trans	-119.7	109.7	179.5	-153.4	-92.1	0	0	0	110.5	I405 L466 L467 L470 Y479 L481 V484	Y403-I405 VanDerWaalsContact C-N 3.34Å; Y403-L466 HydrophobicContact CD2-CB 4.2Å; Y403-L466 HydrophobicContact CD2-CD2 4.2Å; Y403-L466 HydrophobicContact CD2-CG 4.33Å; Y403-L466 HydrophobicContact CE2-CD2 4.48Å; Y403-L466 HydrophobicContact CE2-CG 4.45Å; Y403-L467 HydrophobicContact CD1-CB 4.34Å; Y403-L467 HydrophobicContact CE1-CB 4.14Å; Y403-L467 HydrophobicContact CE1-CD1 3.79Å; Y403-L467 HydrophobicContact CE1-CG 4.38Å; Y403-L467 HydrophobicContact CE2-CB 4.39Å; Y403-L470 HydrophobicContact CE2-CD1 3.93Å; Y403-Y479 WeakPolarHBondContact CE1-O 3.39Å; Y403-Y479 VanDerWaalsContact OH-C 3.32Å; Y403-Y479 PolarHBondContact OH-O 3.41Å; Y403-L481 HydrophobicContact CD1-CB 4.01Å; Y403-L481 HydrophobicContact CD2-CD1 3.69Å; Y403-L481 HydrophobicContact CE1-CB 4.16Å; Y403-L481 HydrophobicContact CE2-CD1 4.07Å; Y403-L481 HydrophobicContact CG-CB 4.2Å; Y403-L481 HydrophobicContact CG-CD1 3.98Å; Y403-V484 HydrophobicContact CE2-CG2 3.88Å
404	N	92.9	Very high	95.1	Very high	52 Å²	52	12.1 Å²	12.1	28%	0.278	6%	0.061	S	C	.	.	S	Bend	trans	72.1	19.4	-177.4	-158.1	36.3	0	0	0	115.7	Q406 N407 F408 D465 L467	N404-Q406 VanDerWaalsContact C-N 3.25Å; N404-Q406 PolarHBondContact O-N 2.9Å; N404-N407 PolarHBondContact O-N 3.03Å; N404-N407 WeakPolarHBondContact OD1-CB 3.28Å; N404-F408 PolarHBondContact O-N 3.04Å; N404-D465 VanDerWaalsContact C-OD2 3.29Å; N404-D465 WeakPolarHBondContact CA-OD2 3.42Å; N404-D465 PolarHBondContact N-OD1 3.07Å; N404-L467 HydrophobicContact CB-CD2 3.73Å; N404-L467 WeakPolarHBondContact OD1-CD2 3.5Å
405	I	95.2	Very high	95.3	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-30.9	-179.8	60.1	174.2	0	0	0	114.5	F322 I400 Y403 D409 F410 D465	F322-I405 HydrophobicContact CD1-CG2 4.41Å; F322-I405 HydrophobicContact CE1-CB 4.2Å; F322-I405 HydrophobicContact CE1-CD1 4.4Å; F322-I405 HydrophobicContact CE1-CG2 3.81Å; F322-I405 HydrophobicContact CZ-CB 4.22Å; F322-I405 HydrophobicContact CZ-CG2 3.95Å; I400-I405 HydrophobicContact CG2-CD1 4.45Å; Y403-I405 VanDerWaalsContact C-N 3.34Å; I405-D409 WeakPolarHBondContact CA-OD2 3.32Å; I405-D409 HydrophobicContact CB-CB 4.33Å; I405-D409 HydrophobicContact CG2-CB 4.24Å; I405-D409 WeakPolarHBondContact CG2-OD2 3.35Å; I405-D409 PolarHBondContact N-OD2 2.98Å; I405-F410 HydrophobicContact CB-CD2 4.14Å; I405-F410 HydrophobicContact CB-CE2 4.23Å; I405-F410 HydrophobicContact CD1-CE2 3.97Å; I405-F410 HydrophobicContact CG1-CD2 4.47Å; I405-F410 HydrophobicContact CG1-CE2 4.3Å; I405-F410 WeakPolarHBondContact O-CD2 3.31Å; I405-F410 PolarHBondContact O-N 3.37Å; I405-D465 HydrophobicContact CG1-CB 3.94Å; I405-D465 PolarHBondContact N-OD2 3.03Å; I405-D465 VanDerWaalsContact N-OD2 3.11Å
406	Q	91.4	Very high	95.4	Very high	26 Å²	26	15.4 Å²	15.4	12%	0.121	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-36.2	-178	-75.9	-179.4	-13.5	0	0	112.4	N404 P411 K454 D465	N404-Q406 VanDerWaalsContact C-N 3.25Å; N404-Q406 PolarHBondContact O-N 2.9Å; Q406-P411 WeakPolarHBondContact O-CD 3.18Å; Q406-P411 WeakPolarHBondContact O-CG 3.49Å; Q406-K454 WeakPolarHBondContact O-CB 3.24Å; Q406-D465 HydrophobicContact CG-CB 3.97Å; Q406-D465 PolarHBondContact N-OD2 3.17Å
407	N	89.4	Confident	95.4	Very high	39 Å²	39	15.1 Å²	15.1	21%	0.209	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-24.4	-172.8	-71.2	-32.1	0	0	0	113.2	N404 N453 K454 Q468	N404-N407 PolarHBondContact O-N 3.03Å; N404-N407 WeakPolarHBondContact OD1-CB 3.28Å; N407-N453 PolarHBondContact ND2-OD1 3.44Å; N407-N453 WeakPolarHBondContact OD1-CA 3.46Å; N407-K454 PolarHBondContact OD1-N 2.66Å; N407-Q468 PolarHBondContact ND2-NE2 3.36Å
408	F	91.1	Very high	95.3	Very high	50 Å²	50	18.6 Å²	18.6	22%	0.219	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	-71	179.6	-174.7	-108.8	0	0	0	112.7	I324 F333 N404 P411 Y412	I324-F408 HydrophobicContact CD1-CE1 4.3Å; I324-F408 HydrophobicContact CG1-CE1 4.28Å; F333-F408 HydrophobicContact CE1-CD2 4.12Å; F333-F408 AromaticContact CE1-CE2 3.6Å; F333-F408 HydrophobicContact CE1-CE2 3.6Å; F333-F408 HydrophobicContact CZ-CD2 4.15Å; F333-F408 AromaticContact CZ-CE2 3.68Å; F333-F408 HydrophobicContact CZ-CE2 3.68Å; F333-F408 HydrophobicContact CZ-CZ 4.39Å; N404-F408 PolarHBondContact O-N 3.04Å; F408-P411 VanDerWaalsContact O-CD 3.27Å; F408-P411 WeakPolarHBondContact O-CD 3.38Å; F408-Y412 AromaticContact CE2-CD2 3.92Å; F408-Y412 HydrophobicContact CE2-CD2 3.92Å; F408-Y412 HydrophobicContact CE2-CE2 4.46Å; F408-Y412 HydrophobicContact CZ-CD2 4.13Å; F408-Y412 VanDerWaalsContact O-CB 3.22Å; F408-Y412 WeakPolarHBondContact O-CB 3.34Å; F408-Y412 PolarHBondContact O-N 3.29Å
409	D	95.8	Very high	95.2	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.021	12%	0.121	C	C	.	.	H	α-helix	trans	-60.9	-57.3	-163.5	-54.9	-66.8	0	0	0	113.9	F322 I324 I405 Y412 L413	F322-D409 HydrophobicContact CE2-CB 3.84Å; F322-D409 HydrophobicContact CZ-CB 3.99Å; I324-D409 HydrophobicContact CD1-CB 4.2Å; I324-D409 WeakPolarHBondContact CG1-OD1 3.4Å; I324-D409 HydrophobicContact CG2-CB 4.44Å; I405-D409 WeakPolarHBondContact CA-OD2 3.32Å; I405-D409 HydrophobicContact CB-CB 4.33Å; I405-D409 HydrophobicContact CG2-CB 4.24Å; I405-D409 WeakPolarHBondContact CG2-OD2 3.35Å; I405-D409 PolarHBondContact N-OD2 2.98Å; D409-Y412 PolarHBondContact O-N 3.35Å; D409-L413 WeakPolarHBondContact O-CB 3.48Å; D409-L413 VanDerWaalsContact O-CG 3.29Å; D409-L413 WeakPolarHBondContact O-CG 3.4Å; D409-L413 PolarHBondContact O-N 3Å
410	F	95.9	Very high	95.2	Very high	1 Å²	1	22.3 Å²	22.3	0%	0.004	13%	0.129	C	C	.	.	H	α-helix	trans	-65.4	-44.7	-179.3	-71	-61.9	0	0	0	113.5	F322 W388 I400 I405 Y412 L413 L414 I456 M458 Q463	F322-F410 HydrophobicContact CE1-CD1 4.48Å; F322-F410 AromaticContact CE1-CE1 3.83Å; F322-F410 HydrophobicContact CE1-CE1 3.83Å; F322-F410 AromaticContact CE1-CE2 3.97Å; F322-F410 HydrophobicContact CE1-CE2 3.97Å; F322-F410 AromaticContact CE1-CZ 3.55Å; F322-F410 HydrophobicContact CE1-CZ 3.55Å; F322-F410 AromaticContact CZ-CD1 3.86Å; F322-F410 HydrophobicContact CZ-CD1 3.86Å; F322-F410 HydrophobicContact CZ-CD2 4.3Å; F322-F410 AromaticContact CZ-CE1 3.62Å; F322-F410 HydrophobicContact CZ-CE1 3.62Å; F322-F410 HydrophobicContact CZ-CE2 4.1Å; F322-F410 HydrophobicContact CZ-CG 4.19Å; F322-F410 AromaticContact CZ-CZ 3.77Å; F322-F410 HydrophobicContact CZ-CZ 3.77Å; W388-F410 HydrophobicContact CH2-CE1 4.01Å; I400-F410 HydrophobicContact CD1-CZ 4.28Å; I400-F410 HydrophobicContact CG2-CE2 4.48Å; I400-F410 HydrophobicContact CG2-CZ 3.91Å; I405-F410 HydrophobicContact CB-CD2 4.14Å; I405-F410 HydrophobicContact CB-CE2 4.23Å; I405-F410 HydrophobicContact CD1-CE2 3.97Å; I405-F410 HydrophobicContact CG1-CD2 4.47Å; I405-F410 HydrophobicContact CG1-CE2 4.3Å; I405-F410 WeakPolarHBondContact O-CD2 3.31Å; I405-F410 PolarHBondContact O-N 3.37Å; F410-Y412 VanDerWaalsContact C-N 3.25Å; F410-Y412 PolarHBondContact O-N 2.98Å; F410-L413 PolarHBondContact O-N 3.22Å; F410-L414 WeakPolarHBondContact O-CB 3.28Å; F410-L414 WeakPolarHBondContact O-CG 3.46Å; F410-L414 PolarHBondContact O-N 3.49Å; F410-I456 HydrophobicContact CB-CD1 3.13Å; F410-I456 HydrophobicContact CD2-CD1 4.36Å; F410-I456 HydrophobicContact CG-CD1 3.98Å; F410-M458 HydrophobicContact CD1-CE 3.64Å; F410-M458 HydrophobicContact CD2-CE 4.41Å; F410-M458 HydrophobicContact CE1-CE 3.32Å; F410-M458 HydrophobicContact CE1-SD 4.29Å; F410-M458 HydrophobicContact CE2-CE 4.14Å; F410-M458 HydrophobicContact CG-CE 4.18Å; F410-M458 HydrophobicContact CZ-CE 3.58Å; F410-M458 HydrophobicContact CZ-SD 4.04Å; F410-Q463 HydrophobicContact CE2-CG 4.36Å
411	P	95.2	Very high	95	Very high	4 Å²	4	30.2 Å²	30.2	3%	0.026	16%	0.163	C	C	.	.	H	α-helix	trans	-56	-40.9	172.7	-25.1	32.5	0	0	0	112.7	Q406 F408 N415 L438 K454	Q406-P411 WeakPolarHBondContact O-CD 3.18Å; Q406-P411 WeakPolarHBondContact O-CG 3.49Å; F408-P411 VanDerWaalsContact O-CD 3.27Å; F408-P411 WeakPolarHBondContact O-CD 3.38Å; P411-N415 VanDerWaalsContact O-CB 3.32Å; P411-N415 WeakPolarHBondContact O-CB 3.39Å; P411-N415 PolarHBondContact O-N 3.28Å; P411-N415 PolarHBondContact O-ND2 3.03Å; P411-L438 HydrophobicContact CB-CD1 3.94Å; P411-L438 HydrophobicContact CB-CD2 4.47Å; P411-L438 HydrophobicContact CG-CD1 3.75Å; P411-K454 HydrophobicContact CB-CD 4Å; P411-K454 HydrophobicContact CG-CB 4.29Å; P411-K454 HydrophobicContact CG-CD 3.65Å
412	Y	95.8	Very high	94.9	Very high	7 Å²	7	30.5 Å²	30.5	3%	0.027	17%	0.165	C	C	.	.	H	α-helix	trans	-63.7	-51.5	178.5	-161.1	-78.1	0	0	0	110.8	I324 C326 P334 P336 D339 V341 F408 D409 F410 L414 N415 R416	I324-Y412 HydrophobicContact CD1-CD1 4.24Å; I324-Y412 HydrophobicContact CD1-CG 4.36Å; C326-Y412 HydrophobicContact CB-CE1 4.39Å; C326-Y412 WeakPolarHBondContact SG-CE1 3.34Å; P334-Y412 HydrophobicContact CB-CE2 3.82Å; P336-Y412 HydrophobicContact CB-CD2 4.45Å; P336-Y412 HydrophobicContact CB-CE2 4.38Å; P336-Y412 HydrophobicContact CG-CD2 3.65Å; P336-Y412 HydrophobicContact CG-CE2 3.78Å; P336-Y412 HydrophobicContact CG-CG 4.07Å; D339-Y412 PolarHBondContact O-OH 3.33Å; V341-Y412 HydrophobicContact CG2-CD1 3.78Å; V341-Y412 HydrophobicContact CG2-CE1 3.7Å; F408-Y412 AromaticContact CE2-CD2 3.92Å; F408-Y412 HydrophobicContact CE2-CD2 3.92Å; F408-Y412 HydrophobicContact CE2-CE2 4.46Å; F408-Y412 HydrophobicContact CZ-CD2 4.13Å; F408-Y412 VanDerWaalsContact O-CB 3.22Å; F408-Y412 WeakPolarHBondContact O-CB 3.34Å; F408-Y412 PolarHBondContact O-N 3.29Å; D409-Y412 PolarHBondContact O-N 3.35Å; F410-Y412 VanDerWaalsContact C-N 3.25Å; F410-Y412 PolarHBondContact O-N 2.98Å; Y412-L414 PolarHBondContact O-N 3.47Å; Y412-N415 PolarHBondContact O-N 2.95Å; Y412-R416 HydrophobicContact CD1-CB 4.44Å; Y412-R416 WeakPolarHBondContact O-CB 3.23Å; Y412-R416 PolarHBondContact O-N 3.08Å
413	L	97.3	Very high	94.6	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.8	-44.5	178.7	-72.5	170.9	0	0	0	112.8	F322 I324 V341 I344 L385 W388 D409 F410 A417 F425	F322-L413 HydrophobicContact CE2-CD1 3.91Å; I324-L413 HydrophobicContact CD1-CD2 4.5Å; I324-L413 HydrophobicContact CD1-CG 4.23Å; I324-L413 HydrophobicContact CG2-CD1 4.11Å; I324-L413 HydrophobicContact CG2-CD2 4.37Å; I324-L413 HydrophobicContact CG2-CG 4.39Å; V341-L413 HydrophobicContact CG1-CD2 4.32Å; V341-L413 HydrophobicContact CG2-CD2 4.17Å; I344-L413 HydrophobicContact CD1-CD2 3.9Å; L385-L413 HydrophobicContact CD2-CD2 3.62Å; W388-L413 HydrophobicContact CE3-CD1 4.49Å; W388-L413 HydrophobicContact CH2-CD1 3.99Å; W388-L413 HydrophobicContact CZ3-CD1 3.9Å; D409-L413 WeakPolarHBondContact O-CB 3.48Å; D409-L413 VanDerWaalsContact O-CG 3.29Å; D409-L413 WeakPolarHBondContact O-CG 3.4Å; D409-L413 PolarHBondContact O-N 3Å; F410-L413 PolarHBondContact O-N 3.22Å; L413-A417 WeakPolarHBondContact O-CB 3.38Å; L413-A417 PolarHBondContact O-N 2.83Å; L413-F425 HydrophobicContact CB-CE1 3.8Å; L413-F425 HydrophobicContact CB-CZ 3.71Å; L413-F425 HydrophobicContact CD1-CZ 4.34Å; L413-F425 HydrophobicContact CD2-CZ 4.32Å; L413-F425 HydrophobicContact CG-CZ 4.36Å
414	L	96.3	Very high	94.4	Very high	18 Å²	18	43.1 Å²	43.1	9%	0.094	22%	0.222	C	C	.	.	H	α-helix	trans	-65.5	-45.6	178.8	-73.2	174.5	0	0	0	112.1	F410 Y412 A417 A418 F425 P426 L428 I456	F410-L414 WeakPolarHBondContact O-CB 3.28Å; F410-L414 WeakPolarHBondContact O-CG 3.46Å; F410-L414 PolarHBondContact O-N 3.49Å; Y412-L414 PolarHBondContact O-N 3.47Å; L414-A417 PolarHBondContact O-N 3.2Å; L414-A418 WeakPolarHBondContact O-CB 3.42Å; L414-A418 PolarHBondContact O-N 3.42Å; L414-F425 HydrophobicContact CD2-CD1 4.16Å; L414-F425 HydrophobicContact CD2-CE1 4.18Å; L414-P426 HydrophobicContact CD2-CB 3.9Å; L414-L428 HydrophobicContact CD2-CD1 4.32Å; L414-I456 HydrophobicContact CD1-CD1 3.73Å; L414-I456 HydrophobicContact CD1-CG1 4.14Å; L414-I456 HydrophobicContact CD1-CG2 4.11Å
415	N	96.2	Very high	94.5	Very high	69 Å²	69	40.7 Å²	40.7	37%	0.369	21%	0.21	S	C	.	.	H	α-helix	trans	-67.5	-40.5	179	-70.5	-21.6	0	0	0	111.2	P336 P411 Y412 A418 A419	P336-N415 HydrophobicContact CB-CB 3.68Å; P336-N415 HydrophobicContact CG-CB 4.07Å; P411-N415 VanDerWaalsContact O-CB 3.32Å; P411-N415 WeakPolarHBondContact O-CB 3.39Å; P411-N415 PolarHBondContact O-N 3.28Å; P411-N415 PolarHBondContact O-ND2 3.03Å; Y412-N415 PolarHBondContact O-N 2.95Å; N415-A418 WeakPolarHBondContact O-CB 3.13Å; N415-A418 PolarHBondContact O-N 3.21Å; N415-A419 PolarHBondContact O-N 3.03Å
416	R	96.8	Very high	94.5	Very high	20 Å²	20	41.8 Å²	41.8	8%	0.075	22%	0.217	C	C	.	.	H	α-helix	trans	-63.8	-44.9	176.4	-174	64.5	-176.3	176.9	-1.7	111.8	P336 R338 D339 V341 E381 L385 Y412 A418 A419 L420	P336-R416 WeakPolarHBondContact O-CD 3.49Å; P336-R416 PolarHBondContact O-NH1 3.31Å; R338-R416 PolarHBondContact O-NH1 3.33Å; D339-R416 PolarHBondContact O-NH1 2.96Å; V341-R416 HydrophobicContact CG2-CG 4.21Å; E381-R416 VanDerWaalsContact CD-NE 3.31Å; E381-R416 WeakPolarHBondContact OE1-CD 3.38Å; E381-R416 WeakPolarHBondContact OE1-CG 3.23Å; E381-R416 IonicContact OE1-CZ 2.73Å; E381-R416 IonicContact OE1-NE 3.34Å; E381-R416 PolarHBondContact OE1-NE 2.89Å; E381-R416 IonicContact OE1-NH2 2.72Å; E381-R416 IonicContact OE2-CZ 3.07Å; E381-R416 IonicContact OE2-NE 3.67Å; E381-R416 PolarHBondContact OE2-NE 2.75Å; E381-R416 VanDerWaalsContact OE2-NE 3.15Å; E381-R416 IonicContact OE2-NH2 2.89Å; E381-R416 PolarHBondContact OE2-NH2 2.81Å; L385-R416 HydrophobicContact CD1-CG 4.36Å; Y412-R416 HydrophobicContact CD1-CB 4.44Å; Y412-R416 WeakPolarHBondContact O-CB 3.23Å; Y412-R416 PolarHBondContact O-N 3.08Å; R416-A418 VanDerWaalsContact C-N 3.29Å; R416-A418 PolarHBondContact O-N 2.84Å; R416-A419 PolarHBondContact O-N 3.32Å; R416-L420 HydrophobicContact CG-CD1 4.14Å; R416-L420 WeakPolarHBondContact O-CB 3.46Å; R416-L420 WeakPolarHBondContact O-CG 3.02Å; R416-L420 PolarHBondContact O-N 3.47Å
417	A	96.1	Very high	94.7	Very high	2 Å²	2	43.4 Å²	43.4	2%	0.017	22%	0.222	C	C	.	.	H	α-helix	trans	-60.2	-39.3	174.3	0	0	0	0	0	112	L385 L413 L414 L420 K421 V422 F425	L385-A417 HydrophobicContact CD1-CB 4.37Å; L413-A417 WeakPolarHBondContact O-CB 3.38Å; L413-A417 PolarHBondContact O-N 2.83Å; L414-A417 PolarHBondContact O-N 3.2Å; A417-L420 PolarHBondContact O-N 3.41Å; A417-K421 PolarHBondContact O-N 3.49Å; A417-V422 HydrophobicContact CB-CB 4.21Å; A417-V422 PolarHBondContact O-N 2.95Å; A417-F425 HydrophobicContact CB-CB 3.66Å; A417-F425 HydrophobicContact CB-CD1 3.46Å; A417-F425 VanDerWaalsContact CB-CD1 3.46Å; A417-F425 HydrophobicContact CB-CD2 4.47Å; A417-F425 HydrophobicContact CB-CE1 4.27Å; A417-F425 HydrophobicContact CB-CG 3.6Å
418	A	95.4	Very high	95	Very high	72 Å²	72	41.5 Å²	41.5	60%	0.595	21%	0.212	S	C	*	.	H	α-helix	trans	-64.6	-46.1	174.8	0	0	0	0	0	112	L414 N415 R416 L420 K421	L414-A418 WeakPolarHBondContact O-CB 3.42Å; L414-A418 PolarHBondContact O-N 3.42Å; N415-A418 WeakPolarHBondContact O-CB 3.13Å; N415-A418 PolarHBondContact O-N 3.21Å; R416-A418 VanDerWaalsContact C-N 3.29Å; R416-A418 PolarHBondContact O-N 2.84Å; A418-L420 VanDerWaalsContact C-N 3.29Å; A418-L420 PolarHBondContact O-N 2.97Å; A418-K421 PolarHBondContact O-N 3.34Å; A418-K421 VanDerWaalsContact O-N 3.08Å
419	A	95.7	Very high	95.1	Very high	45 Å²	45	39.2 Å²	39.2	37%	0.372	20%	0.202	S	C	.	.	H	α-helix	trans	-59	-39.4	177	0	0	0	0	0	112.2	N415 R416 K421	N415-A419 PolarHBondContact O-N 3.03Å; R416-A419 PolarHBondContact O-N 3.32Å; A419-K421 VanDerWaalsContact C-N 3.32Å; A419-K421 PolarHBondContact O-N 3.21Å
420	L	95.4	Very high	95.2	Very high	35 Å²	35	39 Å²	39	18%	0.183	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-2.5	178.4	-65	177.4	0	0	0	114.4	E381 K382 L385 R416 A417 A418 V422	E381-L420 HydrophobicContact CB-CD1 4.19Å; E381-L420 VanDerWaalsContact CD-CD1 3.47Å; E381-L420 HydrophobicContact CG-CD1 3.78Å; E381-L420 WeakPolarHBondContact OE2-CD1 3.48Å; K382-L420 WeakPolarHBondContact CE-O 3.37Å; K382-L420 HydrophobicContact CG-CB 4.2Å; K382-L420 HydrophobicContact CG-CD1 4.4Å; K382-L420 PolarHBondContact NZ-O 3.01Å; L385-L420 HydrophobicContact CD1-CD1 4Å; R416-L420 HydrophobicContact CG-CD1 4.14Å; R416-L420 WeakPolarHBondContact O-CB 3.46Å; R416-L420 WeakPolarHBondContact O-CG 3.02Å; R416-L420 PolarHBondContact O-N 3.47Å; A417-L420 PolarHBondContact O-N 3.41Å; A418-L420 VanDerWaalsContact C-N 3.29Å; A418-L420 PolarHBondContact O-N 2.97Å; L420-V422 HydrophobicContact CB-CG2 3.92Å
421	K	95.3	Very high	95.1	Very high	167 Å²	167	39.6 Å²	39.6	73%	0.726	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.5	39.1	-177.2	-53.7	179	-179.9	178.4	0	113.6	A417 A418 A419 N423	A417-K421 PolarHBondContact O-N 3.49Å; A418-K421 PolarHBondContact O-N 3.34Å; A418-K421 VanDerWaalsContact O-N 3.08Å; A419-K421 VanDerWaalsContact C-N 3.32Å; A419-K421 PolarHBondContact O-N 3.21Å; K421-N423 PolarHBondContact O-N 3.22Å
422	V	94	Very high	94.9	Very high	6 Å²	6	44.3 Å²	44.3	4%	0.036	22%	0.221	C	C	.	.			trans	-85.8	80.6	175.8	-171.4	0	0	0	0	109.7	K382 Q386 A417 L420 Y424 F425	K382-V422 HydrophobicContact CB-CG2 4.03Å; K382-V422 HydrophobicContact CD-CG2 4.39Å; K382-V422 HydrophobicContact CG-CG2 3.88Å; Q386-V422 HydrophobicContact CG-CG1 3.5Å; Q386-V422 VanDerWaalsContact CG-CG1 3.5Å; A417-V422 HydrophobicContact CB-CB 4.21Å; A417-V422 PolarHBondContact O-N 2.95Å; L420-V422 HydrophobicContact CB-CG2 3.92Å; V422-Y424 VanDerWaalsContact C-N 3.26Å; V422-Y424 PolarHBondContact O-N 3.38Å; V422-Y424 VanDerWaalsContact O-N 3.15Å; V422-F425 HydrophobicContact CB-CB 4.3Å; V422-F425 HydrophobicContact CG1-CB 3.88Å; V422-F425 WeakPolarHBondContact O-CB 3.37Å; V422-F425 PolarHBondContact O-N 3.12Å
423	N	91.2	Very high	94.6	Very high	116 Å²	116	47.2 Å²	47.2	62%	0.62	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.2	-168	-66	-36.1	0	0	0	115.7	K421 P426 Y427	K421-N423 PolarHBondContact O-N 3.22Å; N423-P426 WeakPolarHBondContact O-CD 3.4Å; N423-Y427 WeakPolarHBondContact O-CE2 3.45Å
424	Y	89.8	Confident	94.5	Very high	172 Å²	172	49.7 Å²	49.7	68%	0.675	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-9.1	-178.5	-69.7	-74.9	0	0	0	114.1	V422 P426 Y427	V422-Y424 VanDerWaalsContact C-N 3.26Å; V422-Y424 PolarHBondContact O-N 3.38Å; V422-Y424 VanDerWaalsContact O-N 3.15Å; Y424-P426 VanDerWaalsContact C-CD 3.47Å; Y424-Y427 HydrophobicContact CD1-CE2 4.31Å
425	F	94.6	Very high	94.4	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.009	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-45.6	175.2	-173.4	-95.2	0	0	0	114.2	L385 W388 A389 L413 L414 A417 V422 Y427 L428	L385-F425 HydrophobicContact CB-CD2 3.8Å; L385-F425 HydrophobicContact CB-CE2 3.99Å; L385-F425 HydrophobicContact CD2-CE2 3.97Å; L385-F425 HydrophobicContact CD2-CZ 4.37Å; L385-F425 VanDerWaalsContact O-CD2 3.23Å; L385-F425 WeakPolarHBondContact O-CD2 3.28Å; L385-F425 WeakPolarHBondContact O-CE2 3.37Å; W388-F425 AromaticContact CE3-CE2 3.86Å; W388-F425 HydrophobicContact CE3-CE2 3.86Å; W388-F425 AromaticContact CE3-CZ 3.92Å; W388-F425 HydrophobicContact CE3-CZ 3.92Å; W388-F425 HydrophobicContact CZ3-CE2 4.28Å; W388-F425 AromaticContact CZ3-CZ 3.88Å; W388-F425 HydrophobicContact CZ3-CZ 3.88Å; A389-F425 HydrophobicContact CB-CD2 3.84Å; A389-F425 HydrophobicContact CB-CE2 4.14Å; L413-F425 HydrophobicContact CB-CE1 3.8Å; L413-F425 HydrophobicContact CB-CZ 3.71Å; L413-F425 HydrophobicContact CD1-CZ 4.34Å; L413-F425 HydrophobicContact CD2-CZ 4.32Å; L413-F425 HydrophobicContact CG-CZ 4.36Å; L414-F425 HydrophobicContact CD2-CD1 4.16Å; L414-F425 HydrophobicContact CD2-CE1 4.18Å; A417-F425 HydrophobicContact CB-CB 3.66Å; A417-F425 HydrophobicContact CB-CD1 3.46Å; A417-F425 VanDerWaalsContact CB-CD1 3.46Å; A417-F425 HydrophobicContact CB-CD2 4.47Å; A417-F425 HydrophobicContact CB-CE1 4.27Å; A417-F425 HydrophobicContact CB-CG 3.6Å; V422-F425 HydrophobicContact CB-CB 4.3Å; V422-F425 HydrophobicContact CG1-CB 3.88Å; V422-F425 WeakPolarHBondContact O-CB 3.37Å; V422-F425 PolarHBondContact O-N 3.12Å; F425-Y427 PolarHBondContact O-N 3.17Å; F425-L428 HydrophobicContact CE1-CD1 4.33Å; F425-L428 WeakPolarHBondContact O-CD2 3.37Å; F425-L428 WeakPolarHBondContact O-CG 3.28Å
426	P	95.4	Very high	94.4	Very high	23 Å²	23	50.8 Å²	50.8	15%	0.149	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	10.7	-171.1	31.8	-37.6	0	0	0	114.3	L414 N423 Y424 L428 K435 S436	L414-P426 HydrophobicContact CD2-CB 3.9Å; N423-P426 WeakPolarHBondContact O-CD 3.4Å; Y424-P426 VanDerWaalsContact C-CD 3.47Å; P426-L428 PolarHBondContact O-N 2.72Å; P426-K435 HydrophobicContact CG-CD 4.46Å; P426-K435 HydrophobicContact CG-CG 4.46Å; P426-K435 CarbonylContact O-C 3.6Å; P426-S436 VanDerWaalsContact O-CB 3.29Å; P426-S436 WeakPolarHBondContact O-CB 3.42Å; P426-S436 PolarHBondContact O-N 3.15Å; P426-S436 PolarHBondContact O-OG 2.95Å
427	Y	95.6	Very high	94.2	Very high	59 Å²	59	53.6 Å²	53.6	23%	0.231	29%	0.287	C	S	.	.			trans	-96.6	73	174.1	-60.7	-89.1	0	0	0	109.7	R393 N423 Y424 F425 R432 I434 K435	R393-Y427 PolarHBondContact NH1-O 2.99Å; N423-Y427 WeakPolarHBondContact O-CE2 3.45Å; Y424-Y427 HydrophobicContact CD1-CE2 4.31Å; F425-Y427 PolarHBondContact O-N 3.17Å; Y427-R432 WeakPolarHBondContact CD1-O 3.41Å; Y427-I434 WeakPolarHBondContact CD1-O 3.27Å; Y427-K435 HydrophobicContact CD1-CG 4.07Å; Y427-K435 HydrophobicContact CE1-CG 3.48Å; Y427-K435 VanDerWaalsContact CE1-CG 3.48Å; Y427-K435 HydrophobicContact CE2-CG 4.14Å; Y427-K435 VanDerWaalsContact CZ-CE 3.47Å; Y427-K435 WeakPolarHBondContact OH-CE 3.47Å
428	L	95.4	Very high	94	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.299	C	S	.	.			trans	-98.7	-20.7	-172.7	-57.9	175.8	0	0	0	113.4	W388 A389 L392 L414 F425 P426 M458 R461	W388-L428 HydrophobicContact CZ3-CD2 4.38Å; A389-L428 HydrophobicContact CB-CD2 4.08Å; L392-L428 HydrophobicContact CD2-CB 3.93Å; L392-L428 HydrophobicContact CD2-CD2 3.8Å; L392-L428 HydrophobicContact CD2-CG 4.37Å; L414-L428 HydrophobicContact CD2-CD1 4.32Å; F425-L428 HydrophobicContact CE1-CD1 4.33Å; F425-L428 WeakPolarHBondContact O-CD2 3.37Å; F425-L428 WeakPolarHBondContact O-CG 3.28Å; P426-L428 PolarHBondContact O-N 2.72Å; L428-M458 HydrophobicContact CB-CE 3.86Å; L428-M458 HydrophobicContact CB-SD 4.32Å; L428-M458 HydrophobicContact CD1-CE 3.56Å; L428-M458 HydrophobicContact CG-CE 4.37Å; L428-R461 PolarHBondContact O-NE 2.95Å
429	G	95.3	Very high	93.8	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.01	30%	0.3	C	S	.	.	S	Bend	trans	-71.9	-178.1	176.2	0	0	0	0	0	113.7	M431	G429-M431 VanDerWaalsContact C-N 3.31Å
430	R	95.9	Very high	93.3	Very high	0 Å²	0	66 Å²	66	0%	0	32%	0.319	C	S	.	.	S	Bend	trans	-81.6	-8.4	175.6	-73.4	178	160.4	159	-9.7	113.8	F121 S289 L290 D396 D398 E459 G460 R461	F121-R430 HydrophobicContact CD1-CB 4.45Å; F121-R430 HydrophobicContact CE1-CB 4.11Å; S289-R430 CarbonylContact C-O 3.47Å; S289-R430 VanDerWaalsContact CA-O 3.26Å; S289-R430 WeakPolarHBondContact CA-O 3.37Å; L290-R430 PolarHBondContact N-O 3.46Å; D396-R430 IonicContact OD1-CZ 3.03Å; D396-R430 IonicContact OD1-NE 2.71Å; D396-R430 PolarHBondContact OD1-NE 3.01Å; D396-R430 IonicContact OD1-NH2 3.64Å; D396-R430 PolarHBondContact OD1-NH2 3.49Å; D396-R430 IonicContact OD2-CZ 3.2Å; D396-R430 IonicContact OD2-NE 3.62Å; D396-R430 IonicContact OD2-NH2 3.02Å; D396-R430 PolarHBondContact OD2-NH2 3.26Å; D398-R430 IonicContact OD1-CZ 2.79Å; D398-R430 IonicContact OD1-NH1 2.63Å; D398-R430 PolarHBondContact OD1-NH1 3.41Å; D398-R430 IonicContact OD1-NH2 3.38Å; D398-R430 PolarHBondContact OD1-NH2 3.49Å; R430-E459 WeakPolarHBondContact CB-O 3.39Å; R430-E459 PolarHBondContact N-O 3.21Å; R430-G460 PolarHBondContact NH1-O 3.19Å; R430-R461 HydrophobicContact CG-CG 4.2Å
431	M	95	Very high	92.5	Very high	13 Å²	13	68.5 Å²	68.5	6%	0.064	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-96	122	-179.2	-61.6	-58.5	-53.9	0	0	111	F121 V288 G429 G433 I434 E459	F121-M431 HydrophobicContact CE1-SD 4.19Å; F121-M431 HydrophobicContact CZ-CG 4.31Å; F121-M431 HydrophobicContact CZ-SD 3.9Å; V288-M431 HydrophobicContact CB-CE 4.09Å; V288-M431 HydrophobicContact CG2-CE 3.59Å; G429-M431 VanDerWaalsContact C-N 3.31Å; M431-G433 VanDerWaalsContact C-N 3.31Å; M431-G433 PolarHBondContact O-N 3.13Å; M431-I434 HydrophobicContact CB-CB 4.07Å; M431-I434 HydrophobicContact CB-CD1 3.68Å; M431-I434 HydrophobicContact CB-CG1 3.8Å; M431-I434 HydrophobicContact CG-CD1 3.88Å; M431-I434 PolarHBondContact O-N 2.7Å; M431-E459 HydrophobicContact CG-CB 3.87Å; M431-E459 HydrophobicContact CG-CG 4.46Å
432	R	91.3	Very high	91.7	Very high	103 Å²	103	65 Å²	65	39%	0.389	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-37	-172.8	-64.2	178	-171.9	-172.4	-2.2	113.7	E274 V288 S289 L290 Y427	E274-R432 IonicContact OE1-CZ 3.55Å; E274-R432 IonicContact OE1-NH1 3.41Å; E274-R432 PolarHBondContact OE1-NH1 3.33Å; E274-R432 IonicContact OE1-NH2 3.72Å; E274-R432 PolarHBondContact OE1-NH2 2.9Å; E274-R432 IonicContact OE2-CZ 2.67Å; E274-R432 IonicContact OE2-NH1 2.68Å; E274-R432 PolarHBondContact OE2-NH1 3.28Å; E274-R432 IonicContact OE2-NH2 3.02Å; V288-R432 WeakPolarHBondContact O-CG 3.26Å; V288-R432 PolarHBondContact O-N 3.48Å; S289-R432 PolarHBondContact O-NE 3.14Å; S289-R432 PolarHBondContact O-NH2 3.35Å; S289-R432 VanDerWaalsContact O-NH2 3.07Å; L290-R432 HydrophobicContact CD2-CG 3.83Å; L290-R432 HydrophobicContact CG-CG 4.07Å; Y427-R432 WeakPolarHBondContact CD1-O 3.41Å
433	G	89.6	Confident	90.9	Very high	69 Å²	69	67.3 Å²	67.3	71%	0.711	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	1.9	-173.2	0	0	0	0	0	115.6	M431	M431-G433 VanDerWaalsContact C-N 3.31Å; M431-G433 PolarHBondContact O-N 3.13Å
434	I	93.5	Very high	90.2	Very high	52 Å²	52	68.8 Å²	68.8	27%	0.267	34%	0.341	S	S	.	.			trans	-106.6	122.6	-174.4	-55.7	-177.9	0	0	0	110	Y427 M431 E459	Y427-I434 WeakPolarHBondContact CD1-O 3.27Å; M431-I434 HydrophobicContact CB-CB 4.07Å; M431-I434 HydrophobicContact CB-CD1 3.68Å; M431-I434 HydrophobicContact CB-CG1 3.8Å; M431-I434 HydrophobicContact CG-CD1 3.88Å; M431-I434 PolarHBondContact O-N 2.7Å; I434-E459 HydrophobicContact CD1-CG 4.3Å
435	K	94.9	Very high	89.5	Confident	103 Å²	103	62.6 Å²	62.6	45%	0.448	32%	0.323	S	S	.	.			trans	-80.9	135.8	172.4	-66.4	-177	-179.7	-177.8	0	110.2	P426 Y427 V437 N457	P426-K435 HydrophobicContact CG-CD 4.46Å; P426-K435 HydrophobicContact CG-CG 4.46Å; P426-K435 CarbonylContact O-C 3.6Å; Y427-K435 HydrophobicContact CD1-CG 4.07Å; Y427-K435 HydrophobicContact CE1-CG 3.48Å; Y427-K435 VanDerWaalsContact CE1-CG 3.48Å; Y427-K435 HydrophobicContact CE2-CG 4.14Å; Y427-K435 VanDerWaalsContact CZ-CE 3.47Å; Y427-K435 WeakPolarHBondContact OH-CE 3.47Å; K435-V437 HydrophobicContact CB-CG2 4.47Å; K435-N457 PolarHBondContact O-ND2 2.97Å
436	S	95.4	Very high	88.5	Confident	6 Å²	6	73.2 Å²	73.2	4%	0.042	37%	0.369	C	S	.	.			trans	-70.7	124.8	164.2	-65.5	0	0	0	0	109.8	P426 N457	P426-S436 VanDerWaalsContact O-CB 3.29Å; P426-S436 WeakPolarHBondContact O-CB 3.42Å; P426-S436 PolarHBondContact O-N 3.15Å; P426-S436 PolarHBondContact O-OG 2.95Å; S436-N457 WeakPolarHBondContact CA-O 3.44Å; S436-N457 WeakPolarHBondContact CA-OD1 3.37Å; S436-N457 VanDerWaalsContact CB-O 3.31Å; S436-N457 WeakPolarHBondContact CB-O 3.42Å; S436-N457 PolarHBondContact OG-O 3.02Å
437	V	94.2	Very high	87.2	Confident	79 Å²	79	79 Å²	79	48%	0.479	40%	0.395	S	S	.	.			trans	-129.8	139.1	-176.2	-179.5	0	0	0	0	109.3	K435 N457	K435-V437 HydrophobicContact CB-CG2 4.47Å; V437-N457 PolarHBondContact N-OD1 3.19Å; V437-N457 PolarHBondContact O-OD1 3.4Å
438	L	91.9	Very high	85.9	Confident	51 Å²	51	78 Å²	78	27%	0.267	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	133.9	176.1	-165.7	75	0	0	0	111.3	P411 K454 I456	P411-L438 HydrophobicContact CB-CD1 3.94Å; P411-L438 HydrophobicContact CB-CD2 4.47Å; P411-L438 HydrophobicContact CG-CD1 3.75Å; L438-K454 HydrophobicContact CD1-CB 3.82Å; L438-K454 HydrophobicContact CD1-CD 4.11Å; L438-K454 HydrophobicContact CD1-CG 4.17Å; L438-K454 HydrophobicContact CD2-CD 4.18Å; L438-K454 HydrophobicContact CD2-CG 4.49Å; L438-K454 HydrophobicContact CG-CG 4.5Å; L438-I456 HydrophobicContact CD1-CD1 4.11Å; L438-I456 HydrophobicContact CD1-CG1 3.83Å
439	R	89.9	Confident	84.9	Confident	166 Å²	166	79.7 Å²	79.7	63%	0.626	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.5	129.5	170.7	-64.8	-176	-178.4	175.3	3.2	110.4	T455	R439-T455 PolarHBondContact N-O 2.92Å; R439-T455 PolarHBondContact O-N 3.04Å; R439-T455 PolarHBondContact O-OG1 2.9Å; R439-T455 VanDerWaalsContact O-OG1 3.12Å
440	E	84.9	Confident	83.9	Confident	163 Å²	163	84.3 Å²	84.3	76%	0.762	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	131.3	173.5	-64	-178.3	170.6	0	0	110.2
441	L	80.4	Confident	82.9	Confident	88 Å²	88	85.9 Å²	85.9	46%	0.461	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	129.2	174.7	-66.1	-176.3	0	0	0	109.4	N453 T455	L441-N453 PolarHBondContact N-O 2.89Å; L441-N453 PolarHBondContact O-N 3.46Å; L441-T455 HydrophobicContact CD1-CG2 3.34Å; L441-T455 WeakPolarHBondContact CD1-OG1 3.48Å; L441-T455 HydrophobicContact CG-CG2 4.02Å
442	S	77.3	Confident	82	Confident	93 Å²	93	90.6 Å²	90.6	65%	0.65	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	128.6	168	59.2	0	0	0	0	109.8	R451	S442-R451 WeakPolarHBondContact CA-O 3.4Å
443	F	77.1	Confident	81.6	Confident	54 Å²	54	87.2 Å²	87.2	24%	0.237	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.5	172.4	-178.9	-96.4	0	0	0	109.4	M448 R450 R451	F443-M448 HydrophobicContact CE1-CB 3.93Å; F443-M448 HydrophobicContact CE1-CE 4.27Å; F443-M448 HydrophobicContact CE1-CG 4.25Å; F443-M448 HydrophobicContact CE1-SD 3.59Å; F443-M448 VanDerWaalsContact CE1-SD 3.59Å; F443-M448 HydrophobicContact CZ-SD 4.12Å; F443-R450 CarbonylContact O-C 3.41Å; F443-R450 WeakPolarHBondContact O-CA 3.32Å; F443-R451 PolarHBondContact N-O 2.75Å; F443-R451 PolarHBondContact O-N 3.14Å
444	Q	76.1	Confident	81.4	Confident	147 Å²	147	87 Å²	87	69%	0.687	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.4	127.9	178.8	-173.1	175	-7.8	0	0	111.5	G449 R450	Q444-G449 WeakPolarHBondContact CA-O 3.41Å; Q444-R450 HydrophobicContact CB-CB 4.49Å; Q444-R450 HydrophobicContact CG-CB 4.16Å
445	S	75.3	Confident	81.1	Confident	42 Å²	42	86.3 Å²	86.3	29%	0.294	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	147.8	172.9	165.3	0	0	0	0	110.3	Q447 M448 G449	S445-Q447 PolarHBondContact O-N 2.91Å; S445-Q447 PolarHBondContact OG-N 3.06Å; S445-Q447 VanDerWaalsContact OG-N 3.09Å; S445-M448 PolarHBondContact O-N 2.92Å; S445-G449 PolarHBondContact N-O 3.49Å; S445-G449 CarbonylContact O-C 3.59Å; S445-G449 WeakPolarHBondContact O-CA 3.4Å; S445-G449 PolarHBondContact O-N 3.26Å
446	K	73.6	Confident	80.9	Confident	225 Å²	225	81.9 Å²	81.9	98%	0.978	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-28.8	171.6	-70.5	-175	179.8	178.7	0	112.2
447	Q	69.1	Low	80.9	Confident	146 Å²	146	83.3 Å²	83.3	68%	0.682	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-35	-179	-174.5	177.6	2.8	0	0	113.1	S445	S445-Q447 PolarHBondContact O-N 2.91Å; S445-Q447 PolarHBondContact OG-N 3.06Å; S445-Q447 VanDerWaalsContact OG-N 3.09Å
448	M	68.4	Low	80.8	Confident	37 Å²	37	80 Å²	80	18%	0.182	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112	-4.5	-171.5	-65	-175.5	64.6	0	0	114.2	F443 S445 R451 R472	F443-M448 HydrophobicContact CE1-CB 3.93Å; F443-M448 HydrophobicContact CE1-CE 4.27Å; F443-M448 HydrophobicContact CE1-CG 4.25Å; F443-M448 HydrophobicContact CE1-SD 3.59Å; F443-M448 VanDerWaalsContact CE1-SD 3.59Å; F443-M448 HydrophobicContact CZ-SD 4.12Å; S445-M448 PolarHBondContact O-N 2.92Å; M448-R451 PolarHBondContact O-NE 3.15Å; M448-R472 HydrophobicContact CE-CB 3.71Å; M448-R472 HydrophobicContact CE-CG 3.74Å; M448-R472 HydrophobicContact SD-CG 4Å
449	G	72.9	Confident	80.9	Confident	36 Å²	36	78.8 Å²	78.8	37%	0.371	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	77.9	-169.2	-172.3	0	0	0	0	0	112.8	Q444 S445	Q444-G449 WeakPolarHBondContact CA-O 3.41Å; S445-G449 PolarHBondContact N-O 3.49Å; S445-G449 CarbonylContact O-C 3.59Å; S445-G449 WeakPolarHBondContact O-CA 3.4Å; S445-G449 PolarHBondContact O-N 3.26Å
450	R	74.6	Confident	81.1	Confident	97 Å²	97	70.9 Å²	70.9	37%	0.366	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	132.6	167.4	177	179.4	169.4	-166.3	-3.3	107.6	F443 Q444 E452 E900	F443-R450 CarbonylContact O-C 3.41Å; F443-R450 WeakPolarHBondContact O-CA 3.32Å; Q444-R450 HydrophobicContact CB-CB 4.49Å; Q444-R450 HydrophobicContact CG-CB 4.16Å; R450-E452 IonicContact CZ-OE1 2.74Å; R450-E452 IonicContact NE-OE1 3.63Å; R450-E452 IonicContact NH2-OE1 2.78Å; R450-E452 PolarHBondContact NH2-OE1 3.37Å; R450-E900 IonicContact NH1-OE1 3.7Å; R450-E900 PolarHBondContact NH1-OE1 2.73Å; R450-E900 VanDerWaalsContact NH1-OE1 3.15Å; R450-E900 IonicContact NH1-OE2 3.36Å; R450-E900 PolarHBondContact NH1-OE2 3.03Å
451	R	74.6	Confident	81.7	Confident	34 Å²	34	63.3 Å²	63.3	13%	0.128	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	141.5	179	-63.1	-178.7	175.6	-140	-10.5	109.7	S442 F443 M448	S442-R451 WeakPolarHBondContact CA-O 3.4Å; F443-R451 PolarHBondContact N-O 2.75Å; F443-R451 PolarHBondContact O-N 3.14Å; M448-R451 PolarHBondContact O-NE 3.15Å
452	E	77.3	Confident	82.4	Confident	112 Å²	112	59.2 Å²	59.2	52%	0.523	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	113.2	173.4	-69.5	174.8	-178	0	0	106.4	R450	R450-E452 IonicContact CZ-OE1 2.74Å; R450-E452 IonicContact NE-OE1 3.63Å; R450-E452 IonicContact NH2-OE1 2.78Å; R450-E452 PolarHBondContact NH2-OE1 3.37Å
453	N	81.8	Confident	83.2	Confident	31 Å²	31	55.9 Å²	55.9	17%	0.166	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	150	-179.9	-76.9	-24.5	0	0	0	108.7	N407 L441 Q468	N407-N453 PolarHBondContact ND2-OD1 3.44Å; N407-N453 WeakPolarHBondContact OD1-CA 3.46Å; L441-N453 PolarHBondContact N-O 2.89Å; L441-N453 PolarHBondContact O-N 3.46Å; N453-Q468 PolarHBondContact ND2-OE1 3.44Å; N453-Q468 PolarHBondContact OD1-NE2 2.92Å; N453-Q468 VanDerWaalsContact OD1-NE2 3.14Å
454	K	86	Confident	84	Confident	64 Å²	64	53.3 Å²	53.3	28%	0.278	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	144.4	169.6	-70	166.8	-174.3	174.1	0	109.1	Q406 N407 P411 L438	Q406-K454 WeakPolarHBondContact O-CB 3.24Å; N407-K454 PolarHBondContact OD1-N 2.66Å; P411-K454 HydrophobicContact CB-CD 4Å; P411-K454 HydrophobicContact CG-CB 4.29Å; P411-K454 HydrophobicContact CG-CD 3.65Å; L438-K454 HydrophobicContact CD1-CB 3.82Å; L438-K454 HydrophobicContact CD1-CD 4.11Å; L438-K454 HydrophobicContact CD1-CG 4.17Å; L438-K454 HydrophobicContact CD2-CD 4.18Å; L438-K454 HydrophobicContact CD2-CG 4.49Å; L438-K454 HydrophobicContact CG-CG 4.5Å
455	T	87	Confident	84.9	Confident	38 Å²	38	46.4 Å²	46.4	23%	0.233	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	147.8	175.2	56.5	0	0	0	0	110.1	R439 L441	R439-T455 PolarHBondContact N-O 2.92Å; R439-T455 PolarHBondContact O-N 3.04Å; R439-T455 PolarHBondContact O-OG1 2.9Å; R439-T455 VanDerWaalsContact O-OG1 3.12Å; L441-T455 HydrophobicContact CD1-CG2 3.34Å; L441-T455 WeakPolarHBondContact CD1-OG1 3.48Å; L441-T455 HydrophobicContact CG-CG2 4.02Å
456	I	91.9	Very high	85.8	Confident	10 Å²	10	44.4 Å²	44.4	5%	0.051	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	133.1	-177.7	-63.4	168.4	0	0	0	107	F410 L414 L438 M458 Q463	F410-I456 HydrophobicContact CB-CD1 3.13Å; F410-I456 HydrophobicContact CD2-CD1 4.36Å; F410-I456 HydrophobicContact CG-CD1 3.98Å; L414-I456 HydrophobicContact CD1-CD1 3.73Å; L414-I456 HydrophobicContact CD1-CG1 4.14Å; L414-I456 HydrophobicContact CD1-CG2 4.11Å; L438-I456 HydrophobicContact CD1-CD1 4.11Å; L438-I456 HydrophobicContact CD1-CG1 3.83Å; I456-M458 HydrophobicContact CG2-CE 3.97Å; I456-M458 HydrophobicContact CG2-CG 4.2Å; I456-M458 PolarHBondContact O-N 3.02Å; I456-Q463 PolarHBondContact O-NE2 3.46Å
457	N	93.4	Very high	86.7	Confident	37 Å²	37	34.7 Å²	34.7	20%	0.198	17%	0.171	C	C	.	.			trans	-75.9	124.3	173.8	64.4	-66.3	0	0	0	110.2	K435 S436 V437 E459	K435-N457 PolarHBondContact O-ND2 2.97Å; S436-N457 WeakPolarHBondContact CA-O 3.44Å; S436-N457 WeakPolarHBondContact CA-OD1 3.37Å; S436-N457 VanDerWaalsContact CB-O 3.31Å; S436-N457 WeakPolarHBondContact CB-O 3.42Å; S436-N457 PolarHBondContact OG-O 3.02Å; V437-N457 PolarHBondContact N-OD1 3.19Å; V437-N457 PolarHBondContact O-OD1 3.4Å; N457-E459 WeakPolarHBondContact CB-OE1 3.4Å; N457-E459 PolarHBondContact ND2-OE1 3.01Å
458	M	93.6	Very high	87.6	Confident	8 Å²	8	29 Å²	29	4%	0.039	14%	0.144	C	C	.	.			trans	-139.4	76.6	174.2	-66.4	-168	178.7	0	0	108.2	I400 F410 L428 I456 G460 R461 Q463	I400-M458 HydrophobicContact CD1-SD 3.97Å; F410-M458 HydrophobicContact CD1-CE 3.64Å; F410-M458 HydrophobicContact CD2-CE 4.41Å; F410-M458 HydrophobicContact CE1-CE 3.32Å; F410-M458 HydrophobicContact CE1-SD 4.29Å; F410-M458 HydrophobicContact CE2-CE 4.14Å; F410-M458 HydrophobicContact CG-CE 4.18Å; F410-M458 HydrophobicContact CZ-CE 3.58Å; F410-M458 HydrophobicContact CZ-SD 4.04Å; L428-M458 HydrophobicContact CB-CE 3.86Å; L428-M458 HydrophobicContact CB-SD 4.32Å; L428-M458 HydrophobicContact CD1-CE 3.56Å; L428-M458 HydrophobicContact CG-CE 4.37Å; I456-M458 HydrophobicContact CG2-CE 3.97Å; I456-M458 HydrophobicContact CG2-CG 4.2Å; I456-M458 PolarHBondContact O-N 3.02Å; M458-G460 PolarHBondContact O-N 2.87Å; M458-R461 HydrophobicContact CB-CB 4.28Å; M458-R461 PolarHBondContact O-N 2.81Å; M458-Q463 HydrophobicContact SD-CG 4.39Å
459	E	94.4	Very high	88.6	Confident	26 Å²	26	27.2 Å²	27.2	12%	0.121	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	124.6	-172.9	-65.4	73.5	-168.1	0	0	110.4	F121 R430 M431 I434 N457	F121-E459 HydrophobicContact CE2-CB 4.44Å; F121-E459 HydrophobicContact CZ-CB 4.4Å; R430-E459 WeakPolarHBondContact CB-O 3.39Å; R430-E459 PolarHBondContact N-O 3.21Å; M431-E459 HydrophobicContact CG-CB 3.87Å; M431-E459 HydrophobicContact CG-CG 4.46Å; I434-E459 HydrophobicContact CD1-CG 4.3Å; N457-E459 WeakPolarHBondContact CB-OE1 3.4Å; N457-E459 PolarHBondContact ND2-OE1 3.01Å
460	G	94	Very high	89.4	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	0.7	179.3	0	0	0	0	0	115.9	D95 R430 M458	D95-G460 WeakPolarHBondContact OD2-CA 3.47Å; D95-G460 PolarHBondContact OD2-N 2.93Å; R430-G460 PolarHBondContact NH1-O 3.19Å; M458-G460 PolarHBondContact O-N 2.87Å
461	R	96.1	Very high	89.9	Confident	5 Å²	5	22.5 Å²	22.5	2%	0.019	11%	0.109	C	C	.	.			trans	-118.8	128.8	173.4	-52.8	-169.8	-170.5	-69.1	-1.2	110.2	D396 P397 I400 L428 R430 M458	D396-R461 VanDerWaalsContact C-NH1 3.34Å; D396-R461 IonicContact OD1-CZ 2.79Å; D396-R461 IonicContact OD1-NH1 2.73Å; D396-R461 PolarHBondContact OD1-NH1 3.05Å; D396-R461 IonicContact OD1-NH2 2.77Å; D396-R461 PolarHBondContact OD1-NH2 3.33Å; P397-R461 PolarHBondContact O-NH1 3.49Å; I400-R461 HydrophobicContact CD1-CB 4.38Å; L428-R461 PolarHBondContact O-NE 2.95Å; R430-R461 HydrophobicContact CG-CG 4.2Å; M458-R461 HydrophobicContact CB-CB 4.28Å; M458-R461 PolarHBondContact O-N 2.81Å
462	V	95.8	Very high	90.4	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	117.4	179.7	179.7	0	0	0	0	109.7	D95 D398 I399 I400 L550 T551	D95-V462 HydrophobicContact CB-CG2 4.27Å; D398-V462 PolarHBondContact O-N 2.99Å; I399-V462 CarbonylContact C-O 3.58Å; I399-V462 VanDerWaalsContact CA-O 3.31Å; I399-V462 WeakPolarHBondContact CA-O 3.11Å; I399-V462 HydrophobicContact CG1-CB 4.36Å; I400-V462 PolarHBondContact N-O 2.84Å; V462-L550 HydrophobicContact CG1-CD2 4.13Å; V462-L550 HydrophobicContact CG1-CG 4.3Å; V462-L550 HydrophobicContact CG2-CD2 4.37Å; V462-T551 HydrophobicContact CG1-CG2 4.3Å; V462-T551 HydrophobicContact CG2-CG2 4.23Å
463	Q	94.8	Very high	90.7	Very high	23 Å²	23	21.2 Å²	21.2	11%	0.107	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	121.9	171.5	-69.9	166.2	52.4	0	0	109.9	I400 F410 I456 M458 L554	I400-Q463 CarbonylContact O-C 3.34Å; I400-Q463 WeakPolarHBondContact O-CA 3.24Å; F410-Q463 HydrophobicContact CE2-CG 4.36Å; I456-Q463 PolarHBondContact O-NE2 3.46Å; M458-Q463 HydrophobicContact SD-CG 4.39Å; Q463-L554 WeakPolarHBondContact O-CD1 3.35Å
464	F	94.2	Very high	90.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	73.5	-176.5	-156.2	-81.1	0	0	0	109.8	I399 I400 T401 L466 V469 L530 C535 Y539 L554	I399-F464 HydrophobicContact CG2-CB 3.65Å; I399-F464 HydrophobicContact CG2-CG 4.46Å; I400-F464 PolarHBondContact O-N 3.18Å; T401-F464 WeakPolarHBondContact CA-O 3.29Å; T401-F464 WeakPolarHBondContact CB-O 3.32Å; T401-F464 PolarHBondContact OG1-O 3.31Å; F464-L466 PolarHBondContact O-N 2.86Å; F464-V469 HydrophobicContact CD1-CG2 4.07Å; F464-V469 HydrophobicContact CE1-CB 4.43Å; F464-V469 HydrophobicContact CE1-CG1 4.42Å; F464-V469 HydrophobicContact CE1-CG2 3.53Å; F464-V469 HydrophobicContact CZ-CG2 3.86Å; F464-L530 HydrophobicContact CD1-CD1 3.5Å; F464-L530 HydrophobicContact CE1-CD1 3.38Å; F464-L530 HydrophobicContact CZ-CD1 4.4Å; F464-C535 HydrophobicContact CE1-CB 3.64Å; F464-C535 HydrophobicContact CZ-CB 3.78Å; F464-Y539 HydrophobicContact CE2-CD1 4.31Å; F464-Y539 HydrophobicContact CE2-CG 4.13Å; F464-Y539 HydrophobicContact CZ-CD2 4.22Å; F464-Y539 HydrophobicContact CZ-CG 4.18Å; F464-L554 HydrophobicContact CD2-CD1 3.84Å; F464-L554 HydrophobicContact CD2-CD2 4.43Å; F464-L554 HydrophobicContact CE2-CD1 4.34Å; F464-L554 HydrophobicContact CE2-CD2 4.21Å; F464-L554 HydrophobicContact CG-CD1 4.37Å
465	D	94.6	Very high	90.6	Very high	2 Å²	2	28 Å²	28	1%	0.011	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	115	179.8	-170.8	-28	0	0	0	110.9	N404 I405 Q406 L467 Q468 V469	N404-D465 VanDerWaalsContact C-OD2 3.29Å; N404-D465 WeakPolarHBondContact CA-OD2 3.42Å; N404-D465 PolarHBondContact N-OD1 3.07Å; I405-D465 HydrophobicContact CG1-CB 3.94Å; I405-D465 PolarHBondContact N-OD2 3.03Å; I405-D465 VanDerWaalsContact N-OD2 3.11Å; Q406-D465 HydrophobicContact CG-CB 3.97Å; Q406-D465 PolarHBondContact N-OD2 3.17Å; D465-L467 VanDerWaalsContact C-N 3.25Å; D465-L467 PolarHBondContact O-N 3.33Å; D465-L467 WeakPolarHBondContact OD1-CB 3.42Å; D465-L467 PolarHBondContact OD1-N 3.08Å; D465-Q468 HydrophobicContact CB-CB 4.45Å; D465-Q468 HydrophobicContact CB-CG 4.11Å; D465-Q468 PolarHBondContact O-N 2.71Å; D465-Q468 VanDerWaalsContact O-N 3.16Å; D465-V469 PolarHBondContact O-N 2.9Å
466	L	93.9	Very high	90.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64.5	-30.9	-174.3	-175.8	62.2	0	0	0	112.2	G402 Y403 F464 Q468 V469 L470 P526 L529	G402-L466 WeakPolarHBondContact O-CB 3.18Å; G402-L466 PolarHBondContact O-N 3.32Å; Y403-L466 HydrophobicContact CD2-CB 4.2Å; Y403-L466 HydrophobicContact CD2-CD2 4.2Å; Y403-L466 HydrophobicContact CD2-CG 4.33Å; Y403-L466 HydrophobicContact CE2-CD2 4.48Å; Y403-L466 HydrophobicContact CE2-CG 4.45Å; F464-L466 PolarHBondContact O-N 2.86Å; L466-Q468 VanDerWaalsContact C-N 3.32Å; L466-Q468 PolarHBondContact O-N 3.43Å; L466-V469 PolarHBondContact O-N 3.32Å; L466-L470 HydrophobicContact CD1-CG 4.2Å; L466-L470 HydrophobicContact CG-CD1 4.17Å; L466-L470 HydrophobicContact CG-CG 4.19Å; L466-L470 WeakPolarHBondContact O-CB 3.39Å; L466-L470 WeakPolarHBondContact O-CG 3.32Å; L466-L470 PolarHBondContact O-N 2.82Å; L466-P526 HydrophobicContact CD2-CB 4.1Å; L466-L529 HydrophobicContact CD2-CB 3.48Å; L466-L529 VanDerWaalsContact CD2-CB 3.48Å; L466-L529 HydrophobicContact CD2-CD1 3.68Å; L466-L529 HydrophobicContact CD2-CG 4.23Å
467	L	92.2	Very high	89.8	Confident	22 Å²	22	30.6 Å²	30.6	12%	0.115	14%	0.138	C	C	.	.	H	α-helix	trans	-61.7	-43	176.9	176.3	62.1	0	0	0	110.7	Y403 N404 D465 V469 L470 L471	Y403-L467 HydrophobicContact CD1-CB 4.34Å; Y403-L467 HydrophobicContact CE1-CB 4.14Å; Y403-L467 HydrophobicContact CE1-CD1 3.79Å; Y403-L467 HydrophobicContact CE1-CG 4.38Å; Y403-L467 HydrophobicContact CE2-CB 4.39Å; N404-L467 HydrophobicContact CB-CD2 3.73Å; N404-L467 WeakPolarHBondContact OD1-CD2 3.5Å; D465-L467 VanDerWaalsContact C-N 3.25Å; D465-L467 PolarHBondContact O-N 3.33Å; D465-L467 WeakPolarHBondContact OD1-CB 3.42Å; D465-L467 PolarHBondContact OD1-N 3.08Å; L467-V469 PolarHBondContact O-N 2.72Å; L467-L470 PolarHBondContact O-N 2.91Å; L467-L471 HydrophobicContact CD1-CD1 3.65Å; L467-L471 HydrophobicContact CD1-CG 4.04Å; L467-L471 HydrophobicContact CD2-CD1 4.41Å; L467-L471 HydrophobicContact CG-CD1 3.66Å; L467-L471 HydrophobicContact CG-CG 4.45Å; L467-L471 WeakPolarHBondContact O-CB 3.4Å; L467-L471 WeakPolarHBondContact O-CD1 3.26Å; L467-L471 WeakPolarHBondContact O-CG 3.37Å; L467-L471 PolarHBondContact O-N 3.43Å
468	Q	88.4	Confident	89.2	Confident	25 Å²	25	30 Å²	30	12%	0.117	14%	0.137	C	C	.	.	H	α-helix	trans	-66.2	-39.3	179.2	-63.3	-61.2	-37	0	0	111.7	N407 N453 D465 L466 R472	N407-Q468 PolarHBondContact ND2-NE2 3.36Å; N453-Q468 PolarHBondContact ND2-OE1 3.44Å; N453-Q468 PolarHBondContact OD1-NE2 2.92Å; N453-Q468 VanDerWaalsContact OD1-NE2 3.14Å; D465-Q468 HydrophobicContact CB-CB 4.45Å; D465-Q468 HydrophobicContact CB-CG 4.11Å; D465-Q468 PolarHBondContact O-N 2.71Å; D465-Q468 VanDerWaalsContact O-N 3.16Å; L466-Q468 VanDerWaalsContact C-N 3.32Å; L466-Q468 PolarHBondContact O-N 3.43Å; Q468-R472 VanDerWaalsContact O-CB 3.31Å; Q468-R472 WeakPolarHBondContact O-CB 3.45Å; Q468-R472 PolarHBondContact O-N 3.27Å; Q468-R472 VanDerWaalsContact O-N 3.12Å
469	V	90.2	Very high	88.8	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-64.1	-49	176.5	175.7	0	0	0	0	110.6	F464 D465 L466 L467 L471 R472 D473 Y539 L554	F464-V469 HydrophobicContact CD1-CG2 4.07Å; F464-V469 HydrophobicContact CE1-CB 4.43Å; F464-V469 HydrophobicContact CE1-CG1 4.42Å; F464-V469 HydrophobicContact CE1-CG2 3.53Å; F464-V469 HydrophobicContact CZ-CG2 3.86Å; D465-V469 PolarHBondContact O-N 2.9Å; L466-V469 PolarHBondContact O-N 3.32Å; L467-V469 PolarHBondContact O-N 2.72Å; V469-L471 PolarHBondContact O-N 3.47Å; V469-R472 PolarHBondContact O-N 2.99Å; V469-R472 VanDerWaalsContact O-N 3.16Å; V469-D473 WeakPolarHBondContact O-CB 3.42Å; V469-D473 PolarHBondContact O-N 2.8Å; V469-Y539 HydrophobicContact CG1-CE2 4.31Å; V469-L554 HydrophobicContact CG2-CD2 3.74Å
470	L	89.6	Confident	88.5	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.1	-42.4	179.6	-70.3	-178	0	0	0	112.3	Y403 L466 L467 R472 Y474 Y479 V484 F488 L533	Y403-L470 HydrophobicContact CE2-CD1 3.93Å; L466-L470 HydrophobicContact CD1-CG 4.2Å; L466-L470 HydrophobicContact CG-CD1 4.17Å; L466-L470 HydrophobicContact CG-CG 4.19Å; L466-L470 WeakPolarHBondContact O-CB 3.39Å; L466-L470 WeakPolarHBondContact O-CG 3.32Å; L466-L470 PolarHBondContact O-N 2.82Å; L467-L470 PolarHBondContact O-N 2.91Å; L470-R472 PolarHBondContact O-N 2.87Å; L470-Y474 HydrophobicContact CD2-CD2 3.64Å; L470-Y474 HydrophobicContact CD2-CE2 3.92Å; L470-Y474 WeakPolarHBondContact O-CA 3.15Å; L470-Y474 WeakPolarHBondContact O-CB 3.4Å; L470-Y474 PolarHBondContact O-N 3.02Å; L470-Y479 HydrophobicContact CB-CD1 4.31Å; L470-Y479 HydrophobicContact CB-CE1 4.49Å; L470-V484 HydrophobicContact CD1-CB 3.9Å; L470-V484 HydrophobicContact CD1-CG1 3.84Å; L470-V484 HydrophobicContact CD1-CG2 3.94Å; L470-F488 HydrophobicContact CD2-CE2 3.97Å; L470-L533 HydrophobicContact CD2-CD1 3.56Å
471	L	85.2	Confident	88.3	Confident	33 Å²	33	33.9 Å²	33.9	17%	0.173	16%	0.158	C	C	.	.	H	α-helix	trans	-65.3	-27.2	178	-74.4	164.2	0	0	0	113	L467 V469 Y479	L467-L471 HydrophobicContact CD1-CD1 3.65Å; L467-L471 HydrophobicContact CD1-CG 4.04Å; L467-L471 HydrophobicContact CD2-CD1 4.41Å; L467-L471 HydrophobicContact CG-CD1 3.66Å; L467-L471 HydrophobicContact CG-CG 4.45Å; L467-L471 WeakPolarHBondContact O-CB 3.4Å; L467-L471 WeakPolarHBondContact O-CD1 3.26Å; L467-L471 WeakPolarHBondContact O-CG 3.37Å; L467-L471 PolarHBondContact O-N 3.43Å; V469-L471 PolarHBondContact O-N 3.47Å; L471-Y479 HydrophobicContact CB-CE1 4.48Å; L471-Y479 HydrophobicContact CD2-CD1 3.55Å; L471-Y479 HydrophobicContact CD2-CD2 3.56Å; L471-Y479 HydrophobicContact CD2-CE1 3.67Å; L471-Y479 HydrophobicContact CD2-CE2 3.68Å; L471-Y479 HydrophobicContact CD2-CG 3.49Å; L471-Y479 VanDerWaalsContact CD2-CG 3.49Å; L471-Y479 HydrophobicContact CG-CD1 3.91Å; L471-Y479 HydrophobicContact CG-CE1 4.12Å; L471-Y479 HydrophobicContact CG-CG 4.21Å
472	R	84.3	Confident	87.8	Confident	39 Å²	39	34 Å²	34	15%	0.147	16%	0.159	C	C	.	.	H	α-helix	trans	-82.6	-44.9	178.3	179	173.4	150.2	153.8	-22.8	112.5	M448 Q468 V469 L470 Y539 L553 R556	M448-R472 HydrophobicContact CE-CB 3.71Å; M448-R472 HydrophobicContact CE-CG 3.74Å; M448-R472 HydrophobicContact SD-CG 4Å; Q468-R472 VanDerWaalsContact O-CB 3.31Å; Q468-R472 WeakPolarHBondContact O-CB 3.45Å; Q468-R472 PolarHBondContact O-N 3.27Å; Q468-R472 VanDerWaalsContact O-N 3.12Å; V469-R472 PolarHBondContact O-N 2.99Å; V469-R472 VanDerWaalsContact O-N 3.16Å; L470-R472 PolarHBondContact O-N 2.87Å; R472-Y539 PolarHBondContact NE-OH 3.04Å; R472-L553 PolarHBondContact NH1-O 2.78Å; R472-L553 PolarHBondContact NH2-O 2.85Å; R472-R556 PolarHBondContact NH1-O 3.46Å
473	D	83.9	Confident	87.4	Confident	80 Å²	80	34.8 Å²	34.8	43%	0.428	17%	0.166	S	C	.	.	H	α-helix	trans	-94.9	-24.2	-169.1	-65.1	-21.9	0	0	0	112.7	V469 Y539	V469-D473 WeakPolarHBondContact O-CB 3.42Å; V469-D473 PolarHBondContact O-N 2.8Å; D473-Y539 PolarHBondContact OD1-OH 3.21Å; D473-Y539 WeakPolarHBondContact OD2-CE2 3.29Å; D473-Y539 PolarHBondContact OD2-OH 3.08Å
474	Y	83.6	Confident	87.1	Confident	77 Å²	77	33.7 Å²	33.7	30%	0.302	16%	0.161	S	C	.	.			trans	-120.9	152.8	-176.8	-61.9	-89.7	0	0	0	113.1	L470 Y479 F488 L533	L470-Y474 HydrophobicContact CD2-CD2 3.64Å; L470-Y474 HydrophobicContact CD2-CE2 3.92Å; L470-Y474 WeakPolarHBondContact O-CA 3.15Å; L470-Y474 WeakPolarHBondContact O-CB 3.4Å; L470-Y474 PolarHBondContact O-N 3.02Å; Y474-Y479 PolarHBondContact O-OH 2.94Å; Y474-F488 HydrophobicContact CD1-CE1 4.12Å; Y474-F488 AromaticContact CD1-CZ 3.65Å; Y474-F488 HydrophobicContact CD1-CZ 3.65Å; Y474-F488 HydrophobicContact CD2-CZ 4.32Å; Y474-F488 AromaticContact CE1-CE1 3.85Å; Y474-F488 HydrophobicContact CE1-CE1 3.85Å; Y474-F488 AromaticContact CE1-CZ 3.75Å; Y474-F488 HydrophobicContact CE1-CZ 3.75Å; Y474-F488 HydrophobicContact CE2-CZ 4.42Å; Y474-F488 AromaticContact CG-CZ 3.95Å; Y474-F488 HydrophobicContact CG-CZ 3.95Å; Y474-L533 HydrophobicContact CE2-CD1 4.2Å
475	K	81.7	Confident	86.9	Confident	162 Å²	162	33.8 Å²	33.8	70%	0.704	16%	0.161	S	C	*	.			trans	-117.5	78.5	177.4	-75.6	-176.3	-177.6	177.4	0	110.5	Y479 R841	K475-Y479 WeakPolarHBondContact CA-OH 3.42Å; K475-R841 VanDerWaalsContact CA-NH1 3.26Å; K475-R841 PolarHBondContact O-NH1 3.06Å
476	L	83	Confident	86.5	Confident	19 Å²	19	37.2 Å²	37.2	10%	0.099	18%	0.176	C	C	.	.			trans	-96.1	163.4	-175	-53.3	-179.8	0	0	0	113	S478 Y479 V484 F488 R841	L476-S478 WeakPolarHBondContact CB-O 3.15Å; L476-Y479 HydrophobicContact CB-CD1 4.43Å; L476-Y479 HydrophobicContact CB-CE1 4.05Å; L476-Y479 HydrophobicContact CB-CE2 4.23Å; L476-Y479 HydrophobicContact CD1-CD1 4.29Å; L476-Y479 HydrophobicContact CD1-CE1 4.2Å; L476-Y479 HydrophobicContact CG-CE1 4.1Å; L476-Y479 PolarHBondContact N-OH 3.38Å; L476-V484 HydrophobicContact CD1-CG1 3.76Å; L476-F488 HydrophobicContact CD1-CE2 3.97Å; L476-F488 HydrophobicContact CD1-CZ 4.29Å; L476-F488 HydrophobicContact CD2-CZ 4.46Å; L476-R841 VanDerWaalsContact N-NH1 3.16Å; L476-R841 VanDerWaalsContact O-CD 3.25Å; L476-R841 WeakPolarHBondContact O-CD 3.5Å; L476-R841 PolarHBondContact O-NH1 3.16Å
477	R	78.4	Confident	86	Confident	83 Å²	83	41.8 Å²	41.8	31%	0.313	20%	0.198	S	C	.	.	S	Bend	trans	-77.2	-31.9	176.3	-76.2	-176.6	174.3	-140.3	-9	112.7	R840 R841 N843 R929	R477-R840 PolarHBondContact NH2-O 3.03Å; R477-R841 HydrophobicContact CG-CB 4.29Å; R477-R841 HydrophobicContact CG-CG 3.88Å; R477-N843 PolarHBondContact NH2-OD1 3.03Å; R477-R929 WeakPolarHBondContact O-CD 3.42Å
478	S	81.3	Confident	85.7	Confident	25 Å²	25	42.4 Å²	42.4	18%	0.175	20%	0.2	C	C	.	.			trans	-139.1	149.1	175.4	-178	0	0	0	0	108.2	L476 T480 D1083	L476-S478 WeakPolarHBondContact CB-O 3.15Å; S478-T480 PolarHBondContact OG-OG1 3.39Å; S478-D1083 WeakPolarHBondContact CB-OD1 3.05Å; S478-D1083 PolarHBondContact OG-OD1 3.46Å; S478-D1083 PolarHBondContact OG-OD2 3.26Å
479	Y	86.1	Confident	85.5	Confident	39 Å²	39	42.7 Å²	42.7	15%	0.153	20%	0.202	C	C	.	.			trans	-123.2	26.6	177.8	-67	-93.5	0	0	0	110.6	Y403 L470 L471 Y474 K475 L476	Y403-Y479 WeakPolarHBondContact CE1-O 3.39Å; Y403-Y479 VanDerWaalsContact OH-C 3.32Å; Y403-Y479 PolarHBondContact OH-O 3.41Å; L470-Y479 HydrophobicContact CB-CD1 4.31Å; L470-Y479 HydrophobicContact CB-CE1 4.49Å; L471-Y479 HydrophobicContact CB-CE1 4.48Å; L471-Y479 HydrophobicContact CD2-CD1 3.55Å; L471-Y479 HydrophobicContact CD2-CD2 3.56Å; L471-Y479 HydrophobicContact CD2-CE1 3.67Å; L471-Y479 HydrophobicContact CD2-CE2 3.68Å; L471-Y479 HydrophobicContact CD2-CG 3.49Å; L471-Y479 VanDerWaalsContact CD2-CG 3.49Å; L471-Y479 HydrophobicContact CG-CD1 3.91Å; L471-Y479 HydrophobicContact CG-CE1 4.12Å; L471-Y479 HydrophobicContact CG-CG 4.21Å; Y474-Y479 PolarHBondContact O-OH 2.94Å; K475-Y479 WeakPolarHBondContact CA-OH 3.42Å; L476-Y479 HydrophobicContact CB-CD1 4.43Å; L476-Y479 HydrophobicContact CB-CE1 4.05Å; L476-Y479 HydrophobicContact CB-CE2 4.23Å; L476-Y479 HydrophobicContact CD1-CD1 4.29Å; L476-Y479 HydrophobicContact CD1-CE1 4.2Å; L476-Y479 HydrophobicContact CG-CE1 4.1Å; L476-Y479 PolarHBondContact N-OH 3.38Å
480	T	86.9	Confident	85.2	Confident	59 Å²	59	49 Å²	49	36%	0.362	23%	0.231	S	C	.	.	S	Bend	trans	-71	151	166.1	61.9	0	0	0	0	109.3	S478 N482 A483 V484 D1083	S478-T480 PolarHBondContact OG-OG1 3.39Å; T480-N482 PolarHBondContact O-N 2.93Å; T480-A483 PolarHBondContact O-N 2.87Å; T480-A483 VanDerWaalsContact O-N 3.13Å; T480-A483 VanDerWaalsContact OG1-CB 3.24Å; T480-A483 WeakPolarHBondContact OG1-CB 3.26Å; T480-A483 PolarHBondContact OG1-N 2.96Å; T480-V484 WeakPolarHBondContact O-CG2 3.42Å; T480-V484 PolarHBondContact O-N 3.47Å; T480-D1083 WeakPolarHBondContact CB-OD2 3.41Å; T480-D1083 WeakPolarHBondContact CG2-OD2 3.45Å; T480-D1083 PolarHBondContact OG1-OD2 3.44Å
481	L	89.9	Confident	84.7	Confident	16 Å²	16	50 Å²	50	8%	0.084	24%	0.236	C	C	.	.	H	α-helix	trans	-55.8	-39.3	178.3	-178.9	58.3	0	0	0	111.5	Y403 V484 S485 D522 L525 L529	Y403-L481 HydrophobicContact CD1-CB 4.01Å; Y403-L481 HydrophobicContact CD2-CD1 3.69Å; Y403-L481 HydrophobicContact CE1-CB 4.16Å; Y403-L481 HydrophobicContact CE2-CD1 4.07Å; Y403-L481 HydrophobicContact CG-CB 4.2Å; Y403-L481 HydrophobicContact CG-CD1 3.98Å; L481-V484 HydrophobicContact CD1-CG2 4.27Å; L481-V484 VanDerWaalsContact O-CG2 3.28Å; L481-V484 WeakPolarHBondContact O-CG2 3.47Å; L481-S485 VanDerWaalsContact O-CB 3.22Å; L481-S485 WeakPolarHBondContact O-CB 3.31Å; L481-S485 PolarHBondContact O-N 3.45Å; L481-S485 PolarHBondContact O-OG 3.21Å; L481-D522 HydrophobicContact CD2-CB 4.25Å; L481-L525 HydrophobicContact CD1-CB 4.08Å; L481-L525 HydrophobicContact CD2-CB 4.35Å; L481-L525 HydrophobicContact CD2-CD1 4.19Å; L481-L525 HydrophobicContact CG-CB 4.45Å; L481-L525 HydrophobicContact CG-CD1 4.2Å; L481-L529 HydrophobicContact CD1-CD1 4.02Å
482	N	86.8	Confident	84.3	Confident	7 Å²	7	50.9 Å²	50.9	4%	0.037	24%	0.239	C	C	.	.	H	α-helix	trans	-62.8	-47.5	176.3	-177	55.9	0	0	0	112.5	T480 V484 S485 F486 K493 S1081	T480-N482 PolarHBondContact O-N 2.93Å; N482-V484 PolarHBondContact O-N 3.14Å; N482-S485 PolarHBondContact O-N 3.22Å; N482-F486 WeakPolarHBondContact O-CB 3.4Å; N482-F486 PolarHBondContact O-N 3.05Å; N482-K493 HydrophobicContact CB-CD 4.3Å; N482-K493 HydrophobicContact CB-CG 3.88Å; N482-K493 PolarHBondContact OD1-N 2.64Å; N482-S1081 PolarHBondContact ND2-OG 2.9Å
483	A	85.6	Confident	84	Confident	19 Å²	19	49.9 Å²	49.9	16%	0.157	24%	0.236	C	C	.	.	H	α-helix	trans	-64.9	-39.6	-179	0	0	0	0	0	112.6	T480 H487 D1083	T480-A483 PolarHBondContact O-N 2.87Å; T480-A483 VanDerWaalsContact O-N 3.13Å; T480-A483 VanDerWaalsContact OG1-CB 3.24Å; T480-A483 WeakPolarHBondContact OG1-CB 3.26Å; T480-A483 PolarHBondContact OG1-N 2.96Å; A483-H487 WeakPolarHBondContact O-CB 3.25Å; A483-H487 PolarHBondContact O-N 3.01Å; A483-D1083 HydrophobicContact CB-CB 4.01Å
484	V	89.6	Confident	83.8	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-73.6	-36.7	179.5	-55.9	0	0	0	0	111.6	Y403 L470 L476 T480 L481 N482 H487 F488 L529	Y403-V484 HydrophobicContact CE2-CG2 3.88Å; L470-V484 HydrophobicContact CD1-CB 3.9Å; L470-V484 HydrophobicContact CD1-CG1 3.84Å; L470-V484 HydrophobicContact CD1-CG2 3.94Å; L476-V484 HydrophobicContact CD1-CG1 3.76Å; T480-V484 WeakPolarHBondContact O-CG2 3.42Å; T480-V484 PolarHBondContact O-N 3.47Å; L481-V484 HydrophobicContact CD1-CG2 4.27Å; L481-V484 VanDerWaalsContact O-CG2 3.28Å; L481-V484 WeakPolarHBondContact O-CG2 3.47Å; N482-V484 PolarHBondContact O-N 3.14Å; V484-H487 PolarHBondContact O-N 3.33Å; V484-F488 HydrophobicContact CB-CD2 4.37Å; V484-F488 VanDerWaalsContact O-CD2 3.24Å; V484-F488 WeakPolarHBondContact O-CD2 3.45Å; V484-F488 PolarHBondContact O-N 3.03Å; V484-L529 HydrophobicContact CG2-CD1 3.91Å
485	S	88.8	Confident	83.6	Confident	1 Å²	1	46 Å²	46	1%	0.007	22%	0.22	C	C	.	.	H	α-helix	trans	-63.1	-45	174	-59	0	0	0	0	110.5	L481 N482 H487 F488 L489 Q490 E491	L481-S485 VanDerWaalsContact O-CB 3.22Å; L481-S485 WeakPolarHBondContact O-CB 3.31Å; L481-S485 PolarHBondContact O-N 3.45Å; L481-S485 PolarHBondContact O-OG 3.21Å; N482-S485 PolarHBondContact O-N 3.22Å; S485-H487 PolarHBondContact O-N 2.95Å; S485-F488 PolarHBondContact O-N 3.23Å; S485-L489 CarbonylContact O-C 3.56Å; S485-L489 VanDerWaalsContact O-CA 3.29Å; S485-L489 WeakPolarHBondContact O-CA 3.47Å; S485-L489 VanDerWaalsContact O-CB 3.22Å; S485-L489 WeakPolarHBondContact O-CB 2.71Å; S485-L489 PolarHBondContact O-N 2.85Å; S485-Q490 PolarHBondContact O-N 3.37Å; S485-E491 CarbonylContact C-O 3.49Å
486	F	86.2	Confident	83.6	Confident	74 Å²	74	38.9 Å²	38.9	33%	0.325	19%	0.189	S	C	.	.	H	α-helix	trans	-63.2	-42.8	175.2	-176.9	-106.9	0	0	0	111.9	N482 F488 Q490 E491 Q492	N482-F486 WeakPolarHBondContact O-CB 3.4Å; N482-F486 PolarHBondContact O-N 3.05Å; F486-F488 PolarHBondContact O-N 3.01Å; F486-Q490 WeakPolarHBondContact O-CA 3.29Å; F486-Q490 PolarHBondContact O-N 3.43Å; F486-Q490 PolarHBondContact O-NE2 2.82Å; F486-Q490 VanDerWaalsContact O-NE2 3.15Å; F486-E491 WeakPolarHBondContact CA-O 3.29Å; F486-E491 PolarHBondContact N-O 3.45Å; F486-Q492 HydrophobicContact CB-CG 4.41Å; F486-Q492 HydrophobicContact CD2-CG 3.48Å; F486-Q492 VanDerWaalsContact CD2-CG 3.48Å; F486-Q492 HydrophobicContact CE2-CG 4.07Å; F486-Q492 HydrophobicContact CG-CG 4.18Å
487	H	84.6	Confident	83.2	Confident	97 Å²	97	41.3 Å²	41.3	45%	0.449	20%	0.2	S	C	.	.	H	α-helix	trans	-63.9	-41.3	-179	179.9	-119.4	0	0	0	113.4	A483 V484 S485 Q490	A483-H487 WeakPolarHBondContact O-CB 3.25Å; A483-H487 PolarHBondContact O-N 3.01Å; V484-H487 PolarHBondContact O-N 3.33Å; S485-H487 PolarHBondContact O-N 2.95Å; H487-Q490 PolarHBondContact O-NE2 3.34Å
488	F	84.8	Confident	83.1	Confident	35 Å²	35	39.5 Å²	39.5	15%	0.154	20%	0.195	C	C	.	.	H	α-helix	trans	-101.9	-33.3	-173.1	-65.3	-62.3	0	0	0	114.7	L470 Y474 L476 V484 S485 F486 L529 L533	L470-F488 HydrophobicContact CD2-CE2 3.97Å; Y474-F488 HydrophobicContact CD1-CE1 4.12Å; Y474-F488 AromaticContact CD1-CZ 3.65Å; Y474-F488 HydrophobicContact CD1-CZ 3.65Å; Y474-F488 HydrophobicContact CD2-CZ 4.32Å; Y474-F488 AromaticContact CE1-CE1 3.85Å; Y474-F488 HydrophobicContact CE1-CE1 3.85Å; Y474-F488 AromaticContact CE1-CZ 3.75Å; Y474-F488 HydrophobicContact CE1-CZ 3.75Å; Y474-F488 HydrophobicContact CE2-CZ 4.42Å; Y474-F488 AromaticContact CG-CZ 3.95Å; Y474-F488 HydrophobicContact CG-CZ 3.95Å; L476-F488 HydrophobicContact CD1-CE2 3.97Å; L476-F488 HydrophobicContact CD1-CZ 4.29Å; L476-F488 HydrophobicContact CD2-CZ 4.46Å; V484-F488 HydrophobicContact CB-CD2 4.37Å; V484-F488 VanDerWaalsContact O-CD2 3.24Å; V484-F488 WeakPolarHBondContact O-CD2 3.45Å; V484-F488 PolarHBondContact O-N 3.03Å; S485-F488 PolarHBondContact O-N 3.23Å; F486-F488 PolarHBondContact O-N 3.01Å; F488-L529 HydrophobicContact CB-CD2 3.78Å; F488-L529 HydrophobicContact CD2-CD2 4.09Å; F488-L529 HydrophobicContact CG-CD2 4.37Å; F488-L533 HydrophobicContact CD1-CD2 3.73Å; F488-L533 HydrophobicContact CD2-CD1 4.3Å; F488-L533 HydrophobicContact CE1-CD2 3.9Å; F488-L533 HydrophobicContact CE2-CD1 4.27Å; F488-L533 HydrophobicContact CG-CD2 4.05Å; F488-L533 HydrophobicContact CZ-CD2 4.37Å
489	L	85.9	Confident	82.9	Confident	31 Å²	31	39.5 Å²	39.5	16%	0.162	20%	0.195	C	C	.	.	H	α-helix	trans	-104.3	-12.3	-178	-51.8	179.7	0	0	0	112.7	S485 E491 L525 R528 L529 K532	S485-L489 CarbonylContact O-C 3.56Å; S485-L489 VanDerWaalsContact O-CA 3.29Å; S485-L489 WeakPolarHBondContact O-CA 3.47Å; S485-L489 VanDerWaalsContact O-CB 3.22Å; S485-L489 WeakPolarHBondContact O-CB 2.71Å; S485-L489 PolarHBondContact O-N 2.85Å; L489-E491 HydrophobicContact CB-CB 4.2Å; L489-E491 PolarHBondContact O-N 2.94Å; L489-L525 HydrophobicContact CD1-CD2 3.96Å; L489-R528 HydrophobicContact CD1-CB 3.94Å; L489-L529 HydrophobicContact CD1-CD2 4Å; L489-L529 HydrophobicContact CD1-CG 4.04Å; L489-L529 HydrophobicContact CD2-CD2 4.18Å; L489-L529 HydrophobicContact CG-CD2 3.79Å; L489-L529 HydrophobicContact CG-CG 4.37Å; L489-K532 HydrophobicContact CD2-CB 4.04Å; L489-K532 HydrophobicContact CD2-CG 4.04Å
490	Q	83.5	Confident	82.8	Confident	133 Å²	133	39.5 Å²	39.5	62%	0.621	20%	0.197	S	C	*	.			trans	59.9	25.9	-171.5	-56	-60.2	-47.3	0	0	113.2	S485 F486 H487	S485-Q490 PolarHBondContact O-N 3.37Å; F486-Q490 WeakPolarHBondContact O-CA 3.29Å; F486-Q490 PolarHBondContact O-N 3.43Å; F486-Q490 PolarHBondContact O-NE2 2.82Å; F486-Q490 VanDerWaalsContact O-NE2 3.15Å; H487-Q490 PolarHBondContact O-NE2 3.34Å
491	E	78.6	Confident	82.9	Confident	22 Å²	22	37.1 Å²	37.1	10%	0.103	18%	0.182	C	C	.	.			trans	-112.1	133.7	-179.5	-174.4	170.9	-155.6	0	0	110.3	S485 F486 L489 K521 R528	S485-E491 CarbonylContact C-O 3.49Å; F486-E491 WeakPolarHBondContact CA-O 3.29Å; F486-E491 PolarHBondContact N-O 3.45Å; L489-E491 HydrophobicContact CB-CB 4.2Å; L489-E491 PolarHBondContact O-N 2.94Å; E491-K521 VanDerWaalsContact CD-NZ 3.25Å; E491-K521 WeakPolarHBondContact OE1-CE 3.4Å; E491-K521 IonicContact OE1-NZ 2.83Å; E491-K521 PolarHBondContact OE1-NZ 3.29Å; E491-K521 IonicContact OE2-NZ 2.83Å; E491-K521 PolarHBondContact OE2-NZ 2.72Å; E491-R528 IonicContact OE2-NH1 3.1Å; E491-R528 PolarHBondContact OE2-NH1 3.38Å
492	Q	76.3	Confident	82.9	Confident	50 Å²	50	37.6 Å²	37.6	23%	0.234	19%	0.186	C	C	.	.			trans	-103	145.4	170.3	-64.3	-174	13	0	0	109.1	F486 C1084	F486-Q492 HydrophobicContact CB-CG 4.41Å; F486-Q492 HydrophobicContact CD2-CG 3.48Å; F486-Q492 VanDerWaalsContact CD2-CG 3.48Å; F486-Q492 HydrophobicContact CE2-CG 4.07Å; F486-Q492 HydrophobicContact CG-CG 4.18Å; Q492-C1084 PolarHBondContact OE1-SG 3.45Å
493	K	78.8	Confident	83.1	Confident	18 Å²	18	41.4 Å²	41.4	8%	0.078	21%	0.206	C	C	.	.			trans	-108.3	151	171.3	70.5	-178.5	-144	93.3	0	110.6	N482 D495 Y518 D522 L525	N482-K493 HydrophobicContact CB-CD 4.3Å; N482-K493 HydrophobicContact CB-CG 3.88Å; N482-K493 PolarHBondContact OD1-N 2.64Å; K493-D495 PolarHBondContact O-N 3Å; K493-Y518 PolarHBondContact NZ-OH 3.25Å; K493-D522 WeakPolarHBondContact CD-OD1 2.95Å; K493-D522 WeakPolarHBondContact CE-OD1 3.5Å; K493-D522 IonicContact NZ-OD1 3.64Å; K493-D522 PolarHBondContact NZ-OD1 2.66Å; K493-D522 IonicContact NZ-OD2 3.64Å; K493-D522 PolarHBondContact NZ-OD2 2.99Å; K493-L525 HydrophobicContact CD-CD1 3.95Å
494	E	79.8	Confident	83.4	Confident	27 Å²	27	41.5 Å²	41.5	13%	0.126	20%	0.204	C	C	.	.			trans	-58.7	137.1	158.6	179.7	164.2	-135.2	0	0	107.9	V496 R514 Y518 L1078 C1079	E494-V496 HydrophobicContact CG-CG2 3.97Å; E494-R514 IonicContact OE1-NH2 3.67Å; E494-R514 PolarHBondContact OE1-NH2 2.83Å; E494-R514 VanDerWaalsContact OE1-NH2 3.07Å; E494-R514 IonicContact OE2-CZ 2.79Å; E494-R514 IonicContact OE2-NE 3.51Å; E494-R514 IonicContact OE2-NH2 3.56Å; E494-R514 PolarHBondContact OE2-NH2 3.07Å; E494-Y518 VanDerWaalsContact O-CE2 3.25Å; E494-Y518 WeakPolarHBondContact O-CE2 3.17Å; E494-L1078 PolarHBondContact OE1-N 3.36Å; E494-L1078 VanDerWaalsContact OE1-N 3.09Å; E494-C1079 HydrophobicContact CG-CB 4.01Å; E494-C1079 PolarHBondContact OE1-N 3.33Å
495	D	79.9	Confident	83.6	Confident	50 Å²	50	41.8 Å²	41.8	27%	0.267	21%	0.205	S	C	.	.			trans	-117.2	100.2	177.4	-176.9	39.4	0	0	0	107.4	K493 C1079 T1080 S1081	K493-D495 PolarHBondContact O-N 3Å; D495-C1079 CarbonylContact O-C 3.43Å; D495-C1079 WeakPolarHBondContact O-CA 3.46Å; D495-T1080 PolarHBondContact O-N 2.87Å; D495-T1080 PolarHBondContact O-OG1 3.36Å; D495-S1081 WeakPolarHBondContact OD2-CA 3.42Å
496	V	81.3	Confident	83.9	Confident	11 Å²	11	47 Å²	47	7%	0.067	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-84.7	125	-174.1	-177.7	0	0	0	0	109.1	E494 H498 I500 I501 L504 Y518	E494-V496 HydrophobicContact CG-CG2 3.97Å; V496-H498 PolarHBondContact O-N 3.17Å; V496-I500 HydrophobicContact CG1-CB 4.24Å; V496-I500 HydrophobicContact CG1-CG2 4.25Å; V496-I501 HydrophobicContact CG1-CG1 4.01Å; V496-L504 HydrophobicContact CG1-CD1 4.27Å; V496-Y518 HydrophobicContact CB-CE2 4.19Å; V496-Y518 HydrophobicContact CG2-CD2 3.82Å; V496-Y518 HydrophobicContact CG2-CE2 3.8Å; V496-Y518 HydrophobicContact CG2-CG 4.41Å
497	Q	74.1	Confident	84.1	Confident	70 Å²	70	45.4 Å²	45.4	33%	0.327	24%	0.237	S	C	.	.			trans	-64.8	135.6	179.2	-168.6	-179	-4.6	0	0	111.3	S499 I500 I501 T1080	Q497-S499 PolarHBondContact NE2-OG 3.02Å; Q497-S499 PolarHBondContact O-N 3.18Å; Q497-I500 HydrophobicContact CB-CD1 4.1Å; Q497-I500 HydrophobicContact CB-CG1 4.3Å; Q497-I500 WeakPolarHBondContact O-CB 3.46Å; Q497-I500 PolarHBondContact O-N 3.08Å; Q497-I501 PolarHBondContact O-N 3.34Å; Q497-T1080 HydrophobicContact CB-CG2 4.03Å
498	H	75.8	Confident	84.6	Confident	46 Å²	46	45.1 Å²	45.1	21%	0.213	24%	0.239	C	C	.	.	H	α-helix	trans	-51.3	-30.5	-178.8	63.2	80.8	0	0	0	114.9	V496 I500	V496-H498 PolarHBondContact O-N 3.17Å; H498-I500 VanDerWaalsContact C-N 3.3Å; H498-I500 PolarHBondContact O-N 3.31Å
499	S	76.8	Confident	84.9	Confident	24 Å²	24	48 Å²	48	17%	0.168	25%	0.253	C	S	.	.	H	α-helix	trans	-71.6	-23.3	178.3	54.7	0	0	0	0	113.9	Q497	Q497-S499 PolarHBondContact NE2-OG 3.02Å; Q497-S499 PolarHBondContact O-N 3.18Å
500	I	84.3	Confident	85.1	Confident	39 Å²	39	50.9 Å²	50.9	20%	0.2	27%	0.266	C	S	.	.	H	α-helix	trans	-85.5	-30.2	-179.3	-60.8	176	0	0	0	110.5	V496 Q497 H498 T502 D503 L504 L1078	V496-I500 HydrophobicContact CG1-CB 4.24Å; V496-I500 HydrophobicContact CG1-CG2 4.25Å; Q497-I500 HydrophobicContact CB-CD1 4.1Å; Q497-I500 HydrophobicContact CB-CG1 4.3Å; Q497-I500 WeakPolarHBondContact O-CB 3.46Å; Q497-I500 PolarHBondContact O-N 3.08Å; H498-I500 VanDerWaalsContact C-N 3.3Å; H498-I500 PolarHBondContact O-N 3.31Å; I500-T502 VanDerWaalsContact C-N 3.25Å; I500-T502 PolarHBondContact O-N 3.1Å; I500-D503 WeakPolarHBondContact O-CA 3.37Å; I500-D503 PolarHBondContact O-N 3.41Å; I500-L504 HydrophobicContact CG2-CD1 4.16Å; I500-L504 HydrophobicContact CG2-CG 4.13Å; I500-L504 PolarHBondContact O-N 2.72Å; I500-L1078 HydrophobicContact CD1-CB 4.27Å; I500-L1078 HydrophobicContact CG2-CD1 3.89Å
501	I	89.3	Confident	85.5	Confident	9 Å²	9	46.3 Å²	46.3	5%	0.046	25%	0.247	C	C	.	.	H	α-helix	trans	-54.3	-43.2	179.8	-62.2	180	0	0	0	111.2	E325 I342 V496 Q497 D503 L504 Q505 L515	E325-I501 WeakPolarHBondContact OE2-CD1 3.49Å; I342-I501 HydrophobicContact CD1-CG2 3.78Å; V496-I501 HydrophobicContact CG1-CG1 4.01Å; Q497-I501 PolarHBondContact O-N 3.34Å; I501-D503 VanDerWaalsContact C-N 3.32Å; I501-D503 PolarHBondContact O-N 2.84Å; I501-L504 PolarHBondContact O-N 2.78Å; I501-Q505 WeakPolarHBondContact O-CB 3.47Å; I501-Q505 PolarHBondContact O-N 3.34Å; I501-L515 HydrophobicContact CG1-CD1 4.38Å; I501-L515 HydrophobicContact CG2-CD1 4.04Å; I501-L515 HydrophobicContact CG2-CD2 3.96Å
502	T	90.5	Very high	86.2	Confident	27 Å²	27	45.9 Å²	45.9	17%	0.166	24%	0.244	C	C	.	.	H	α-helix	trans	-62.2	-38.7	176.4	-55.9	0	0	0	0	112.4	A327 G328 I500 N506	A327-T502 HydrophobicContact CB-CG2 4.38Å; G328-T502 PolarHBondContact N-OG1 3.27Å; G328-T502 PolarHBondContact O-OG1 3.25Å; I500-T502 VanDerWaalsContact C-N 3.25Å; I500-T502 PolarHBondContact O-N 3.1Å; T502-N506 WeakPolarHBondContact O-CB 3.39Å; T502-N506 VanDerWaalsContact O-CG 3.29Å; T502-N506 PolarHBondContact O-N 3.44Å; T502-N506 VanDerWaalsContact O-N 3.15Å; T502-N506 PolarHBondContact O-ND2 2.83Å
503	D	90.9	Very high	87	Confident	86 Å²	86	47.7 Å²	47.7	46%	0.46	25%	0.249	S	C	.	.	H	α-helix	trans	-71.8	-37.7	178.9	-66.5	-19.5	0	0	0	110.5	K330 I500 I501 G507	K330-D503 IonicContact NZ-OD1 3.66Å; K330-D503 IonicContact NZ-OD2 2.68Å; K330-D503 PolarHBondContact NZ-OD2 3.3Å; I500-D503 WeakPolarHBondContact O-CA 3.37Å; I500-D503 PolarHBondContact O-N 3.41Å; I501-D503 VanDerWaalsContact C-N 3.32Å; I501-D503 PolarHBondContact O-N 2.84Å; D503-G507 PolarHBondContact O-N 3.14Å
504	L	91.6	Very high	87.5	Confident	22 Å²	22	48.7 Å²	48.7	12%	0.115	25%	0.252	C	S	.	.	H	α-helix	trans	-65.4	-41.7	173.9	-70.4	174.5	0	0	0	112.7	V496 I500 I501 G507 T511	V496-L504 HydrophobicContact CG1-CD1 4.27Å; I500-L504 HydrophobicContact CG2-CD1 4.16Å; I500-L504 HydrophobicContact CG2-CG 4.13Å; I500-L504 PolarHBondContact O-N 2.72Å; I501-L504 PolarHBondContact O-N 2.78Å; L504-G507 PolarHBondContact O-N 3.12Å; L504-T511 HydrophobicContact CD2-CG2 4.23Å; L504-T511 VanDerWaalsContact O-CB 3.31Å; L504-T511 WeakPolarHBondContact O-CB 3.49Å; L504-T511 PolarHBondContact O-OG1 3.47Å
505	Q	94.4	Very high	88.1	Confident	5 Å²	5	47.5 Å²	47.5	2%	0.023	25%	0.247	C	C	.	.	H	α-helix	trans	-63.8	-42.6	178	176.6	61.1	22	0	0	111.9	I342 L364 I501 G507 R512	I342-Q505 HydrophobicContact CB-CG 4.26Å; I342-Q505 HydrophobicContact CD1-CB 3.8Å; I342-Q505 HydrophobicContact CD1-CG 3.88Å; I342-Q505 HydrophobicContact CG2-CG 4.05Å; L364-Q505 PolarHBondContact O-NE2 2.83Å; I501-Q505 WeakPolarHBondContact O-CB 3.47Å; I501-Q505 PolarHBondContact O-N 3.34Å; Q505-G507 PolarHBondContact O-N 3.32Å; Q505-R512 PolarHBondContact O-NH1 3.34Å; Q505-R512 VanDerWaalsContact O-NH1 3.11Å
506	N	93.6	Very high	88.7	Confident	112 Å²	112	45.1 Å²	45.1	60%	0.599	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-3.8	179.7	-69.3	-35.9	0	0	0	113.9	T502	T502-N506 WeakPolarHBondContact O-CB 3.39Å; T502-N506 VanDerWaalsContact O-CG 3.29Å; T502-N506 PolarHBondContact O-N 3.44Å; T502-N506 VanDerWaalsContact O-N 3.15Å; T502-N506 PolarHBondContact O-ND2 2.83Å
507	G	92.3	Very high	89.2	Confident	39 Å²	39	46.9 Å²	46.9	40%	0.402	25%	0.245	S	C	.	.	S	Bend	trans	-76	-135.8	174	0	0	0	0	0	113	D503 L504 Q505 R512	D503-G507 PolarHBondContact O-N 3.14Å; L504-G507 PolarHBondContact O-N 3.12Å; Q505-G507 PolarHBondContact O-N 3.32Å; G507-R512 PolarHBondContact O-NH1 3.42Å
508	N	93.3	Very high	89.9	Confident	91 Å²	91	45.1 Å²	45.1	49%	0.487	24%	0.235	S	C	.	.			trans	-106.6	-176.1	-176.7	64	35.8	0	0	0	111.7	Q510 T511 R512	N508-Q510 PolarHBondContact O-N 3.28Å; N508-Q510 WeakPolarHBondContact OD1-CA 3.29Å; N508-Q510 WeakPolarHBondContact OD1-CB 3.45Å; N508-Q510 PolarHBondContact OD1-N 2.88Å; N508-T511 PolarHBondContact N-OG1 3.1Å; N508-T511 PolarHBondContact O-N 3.49Å; N508-T511 PolarHBondContact O-OG1 2.98Å; N508-T511 PolarHBondContact OD1-N 2.79Å; N508-R512 PolarHBondContact O-N 3.42Å; N508-R512 PolarHBondContact O-NH1 3.23Å
509	E	92.1	Very high	90.8	Very high	95 Å²	95	42.9 Å²	42.9	44%	0.444	23%	0.225	S	C	.	.	H	α-helix	trans	-64.1	-27.3	179.4	63.7	-179.2	-168.8	0	0	113.6	A368 R513	A368-E509 HydrophobicContact CB-CB 4.4Å; A368-E509 HydrophobicContact CB-CG 4.21Å; A368-E509 PolarHBondContact N-O 2.98Å; E509-R513 WeakPolarHBondContact O-CB 3.37Å; E509-R513 PolarHBondContact O-N 2.97Å
510	Q	90	Very high	91.6	Very high	93 Å²	93	42.1 Å²	42.1	44%	0.435	22%	0.219	S	C	.	.	H	α-helix	trans	-78.5	-38.6	179.8	-61.7	-61	-24.7	0	0	111.5	A368 N508 R512 R513 R514	A368-Q510 VanDerWaalsContact CB-NE2 3.28Å; N508-Q510 PolarHBondContact O-N 3.28Å; N508-Q510 WeakPolarHBondContact OD1-CA 3.29Å; N508-Q510 WeakPolarHBondContact OD1-CB 3.45Å; N508-Q510 PolarHBondContact OD1-N 2.88Å; Q510-R512 VanDerWaalsContact C-N 3.29Å; Q510-R512 PolarHBondContact O-N 3.19Å; Q510-R513 WeakPolarHBondContact O-CB 3.41Å; Q510-R513 PolarHBondContact O-N 3.21Å; Q510-R514 PolarHBondContact O-N 2.97Å
511	T	91.6	Very high	91.9	Very high	36 Å²	36	41.3 Å²	41.3	22%	0.221	21%	0.214	C	C	.	.	H	α-helix	trans	-64.3	-37.2	172.6	57.4	0	0	0	0	111.1	L504 N508 R514 L515	L504-T511 HydrophobicContact CD2-CG2 4.23Å; L504-T511 VanDerWaalsContact O-CB 3.31Å; L504-T511 WeakPolarHBondContact O-CB 3.49Å; L504-T511 PolarHBondContact O-OG1 3.47Å; N508-T511 PolarHBondContact N-OG1 3.1Å; N508-T511 PolarHBondContact O-N 3.49Å; N508-T511 PolarHBondContact O-OG1 2.98Å; N508-T511 PolarHBondContact OD1-N 2.79Å; T511-R514 PolarHBondContact O-N 2.79Å; T511-L515 PolarHBondContact O-N 3.39Å; T511-L515 VanDerWaalsContact O-N 3.14Å
512	R	93.8	Very high	92	Very high	14 Å²	14	41.4 Å²	41.4	5%	0.053	22%	0.215	C	C	.	.	H	α-helix	trans	-68.8	-34.7	171.8	-71.3	-170.1	-65.9	-83.8	-2	113.1	Q343 S366 Q505 G507 N508 Q510 L515 A516	Q343-R512 PolarHBondContact NE2-O 2.8Å; S366-R512 PolarHBondContact O-NE 3.38Å; S366-R512 PolarHBondContact O-NH2 3.03Å; S366-R512 PolarHBondContact OG-NH2 3.31Å; Q505-R512 PolarHBondContact O-NH1 3.34Å; Q505-R512 VanDerWaalsContact O-NH1 3.11Å; G507-R512 PolarHBondContact O-NH1 3.42Å; N508-R512 PolarHBondContact O-N 3.42Å; N508-R512 PolarHBondContact O-NH1 3.23Å; Q510-R512 VanDerWaalsContact C-N 3.29Å; Q510-R512 PolarHBondContact O-N 3.19Å; R512-L515 PolarHBondContact O-N 3.39Å; R512-A516 WeakPolarHBondContact O-CB 3.31Å; R512-A516 PolarHBondContact O-N 2.89Å
513	R	92.1	Very high	92.3	Very high	87 Å²	87	40.1 Å²	40.1	33%	0.328	21%	0.207	S	C	.	.	H	α-helix	trans	-62.1	-45.7	171.4	-178.8	-175.1	175.2	-84.6	-1.2	111.8	C367 A368 S369 I370 E509 Q510 L515 A516 V517	C367-R513 VanDerWaalsContact SG-CA 3.53Å; A368-R513 HydrophobicContact CB-CB 4.11Å; A368-R513 HydrophobicContact CB-CG 4.4Å; S369-R513 WeakPolarHBondContact O-CD 3.2Å; S369-R513 PolarHBondContact O-NE 2.93Å; I370-R513 HydrophobicContact CD1-CG 4.2Å; I370-R513 HydrophobicContact CG1-CG 3.75Å; E509-R513 WeakPolarHBondContact O-CB 3.37Å; E509-R513 PolarHBondContact O-N 2.97Å; Q510-R513 WeakPolarHBondContact O-CB 3.41Å; Q510-R513 PolarHBondContact O-N 3.21Å; R513-L515 VanDerWaalsContact C-N 3.29Å; R513-L515 PolarHBondContact O-N 3.23Å; R513-A516 PolarHBondContact O-N 2.92Å; R513-A516 VanDerWaalsContact O-N 3.13Å; R513-V517 WeakPolarHBondContact O-CG2 3.46Å; R513-V517 PolarHBondContact O-N 3.47Å
514	R	90.1	Very high	92.4	Very high	40 Å²	40	37 Å²	37	15%	0.151	19%	0.189	C	C	.	.	H	α-helix	trans	-57.6	-44.1	174.5	-179.5	178.1	176.6	169.8	-9	111.3	E494 Q510 T511 A516 V517 Y518 E1075 D1076	E494-R514 IonicContact OE1-NH2 3.67Å; E494-R514 PolarHBondContact OE1-NH2 2.83Å; E494-R514 VanDerWaalsContact OE1-NH2 3.07Å; E494-R514 IonicContact OE2-CZ 2.79Å; E494-R514 IonicContact OE2-NE 3.51Å; E494-R514 IonicContact OE2-NH2 3.56Å; E494-R514 PolarHBondContact OE2-NH2 3.07Å; Q510-R514 PolarHBondContact O-N 2.97Å; T511-R514 PolarHBondContact O-N 2.79Å; R514-A516 VanDerWaalsContact C-N 3.34Å; R514-V517 PolarHBondContact O-N 3.3Å; R514-Y518 PolarHBondContact O-N 2.95Å; R514-E1075 VanDerWaalsContact CD-OE2 3.3Å; R514-E1075 WeakPolarHBondContact CD-OE2 3.29Å; R514-E1075 IonicContact CZ-OE2 3.98Å; R514-E1075 IonicContact NE-OE2 3.4Å; R514-E1075 IonicContact NH1-OE2 3.35Å; R514-E1075 PolarHBondContact NH1-OE2 2.97Å; R514-D1076 PolarHBondContact NH1-O 3.1Å; R514-D1076 PolarHBondContact NH2-O 3.13Å; R514-D1076 VanDerWaalsContact NH2-O 3.08Å
515	L	92.1	Very high	92.5	Very high	2 Å²	2	36 Å²	36	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-63.8	-39.2	175.8	-171.7	65.4	0	0	0	112.1	E325 I342 Q343 I501 T511 R512 R513 Y518 C519	E325-L515 HydrophobicContact CG-CD1 4.31Å; E325-L515 HydrophobicContact CG-CG 4.44Å; I342-L515 HydrophobicContact CD1-CD2 3.64Å; Q343-L515 HydrophobicContact CG-CD2 4.46Å; Q343-L515 PolarHBondContact OE1-O 2.82Å; I501-L515 HydrophobicContact CG1-CD1 4.38Å; I501-L515 HydrophobicContact CG2-CD1 4.04Å; I501-L515 HydrophobicContact CG2-CD2 3.96Å; T511-L515 PolarHBondContact O-N 3.39Å; T511-L515 VanDerWaalsContact O-N 3.14Å; R512-L515 PolarHBondContact O-N 3.39Å; R513-L515 VanDerWaalsContact C-N 3.29Å; R513-L515 PolarHBondContact O-N 3.23Å; L515-Y518 HydrophobicContact CD1-CD1 4.33Å; L515-Y518 WeakPolarHBondContact O-CB 3.28Å; L515-Y518 PolarHBondContact O-N 3.44Å; L515-C519 WeakPolarHBondContact O-CB 3.36Å; L515-C519 PolarHBondContact O-N 3.27Å
516	A	92.8	Very high	92.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-66.2	-39.3	177.6	0	0	0	0	0	112.4	Q343 V361 I370 R512 R513 R514 C519 L520	Q343-A516 VanDerWaalsContact OE1-N 3.08Å; V361-A516 HydrophobicContact CG1-CB 4.03Å; V361-A516 HydrophobicContact CG2-CB 4.5Å; I370-A516 HydrophobicContact CD1-CB 3.71Å; R512-A516 WeakPolarHBondContact O-CB 3.31Å; R512-A516 PolarHBondContact O-N 2.89Å; R513-A516 PolarHBondContact O-N 2.92Å; R513-A516 VanDerWaalsContact O-N 3.13Å; R514-A516 VanDerWaalsContact C-N 3.34Å; A516-C519 PolarHBondContact O-N 2.93Å; A516-L520 WeakPolarHBondContact O-CB 3.14Å; A516-L520 VanDerWaalsContact O-CG 3.31Å; A516-L520 WeakPolarHBondContact O-CG 3.26Å; A516-L520 PolarHBondContact O-N 3.18Å
517	V	91.1	Very high	92.5	Very high	48 Å²	48	30.6 Å²	30.6	29%	0.291	15%	0.154	S	C	.	.	H	α-helix	trans	-64	-41.9	172.8	174	0	0	0	0	111	I370 R513 R514 L520 K521	I370-V517 HydrophobicContact CD1-CG2 3.73Å; I370-V517 HydrophobicContact CG1-CG2 4.05Å; I370-V517 HydrophobicContact CG2-CG2 4.35Å; R513-V517 WeakPolarHBondContact O-CG2 3.46Å; R513-V517 PolarHBondContact O-N 3.47Å; R514-V517 PolarHBondContact O-N 3.3Å; V517-L520 PolarHBondContact O-N 2.93Å; V517-K521 PolarHBondContact O-N 3.43Å
518	Y	90.5	Very high	92.5	Very high	32 Å²	32	30.4 Å²	30.4	13%	0.125	14%	0.142	C	C	.	.	H	α-helix	trans	-58.6	-49.6	174.2	171.9	-90.5	0	0	0	111.7	E325 K493 E494 V496 R514 L515 L520 K521 D522	E325-Y518 WeakPolarHBondContact OE1-CE1 3.44Å; K493-Y518 PolarHBondContact NZ-OH 3.25Å; E494-Y518 VanDerWaalsContact O-CE2 3.25Å; E494-Y518 WeakPolarHBondContact O-CE2 3.17Å; V496-Y518 HydrophobicContact CB-CE2 4.19Å; V496-Y518 HydrophobicContact CG2-CD2 3.82Å; V496-Y518 HydrophobicContact CG2-CE2 3.8Å; V496-Y518 HydrophobicContact CG2-CG 4.41Å; R514-Y518 PolarHBondContact O-N 2.95Å; L515-Y518 HydrophobicContact CD1-CD1 4.33Å; L515-Y518 WeakPolarHBondContact O-CB 3.28Å; L515-Y518 PolarHBondContact O-N 3.44Å; Y518-L520 PolarHBondContact O-N 2.93Å; Y518-K521 WeakPolarHBondContact O-CB 3.46Å; Y518-K521 PolarHBondContact O-N 3.33Å; Y518-D522 PolarHBondContact O-N 2.97Å; Y518-D522 PolarHBondContact OH-OD2 3.21Å
519	C	93.8	Very high	92.4	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.6	-38	178.6	-170.2	0	0	0	0	112	E325 A345 L515 A516 K521 D522 A523	E325-C519 HydrophobicContact CG-CB 3.94Å; A345-C519 HydrophobicContact CB-CB 4.08Å; A345-C519 WeakPolarHBondContact CB-O 2.87Å; A345-C519 WeakPolarHBondContact CB-SG 3.21Å; L515-C519 WeakPolarHBondContact O-CB 3.36Å; L515-C519 PolarHBondContact O-N 3.27Å; A516-C519 PolarHBondContact O-N 2.93Å; C519-K521 VanDerWaalsContact C-N 3.31Å; C519-K521 PolarHBondContact O-N 3.22Å; C519-D522 PolarHBondContact O-N 3.43Å; C519-A523 WeakPolarHBondContact O-CB 3.42Å; C519-A523 PolarHBondContact O-N 3.15Å
520	L	92.9	Very high	92.4	Very high	8 Å²	8	21.9 Å²	21.9	4%	0.042	10%	0.099	C	C	.	.	H	α-helix	trans	-60.5	-40.5	172.5	-79.8	167.4	0	0	0	112.1	A345 M347 V361 I370 A516 V517 Y518 A523 Y524	A345-L520 HydrophobicContact CB-CD2 4.12Å; A345-L520 HydrophobicContact CB-CG 4.3Å; M347-L520 HydrophobicContact CE-CB 4.06Å; M347-L520 HydrophobicContact CE-CD2 3.4Å; M347-L520 HydrophobicContact CE-CG 4.29Å; M347-L520 HydrophobicContact SD-CD2 4.12Å; V361-L520 HydrophobicContact CG2-CD1 3.53Å; V361-L520 HydrophobicContact CG2-CD2 3.48Å; V361-L520 VanDerWaalsContact CG2-CD2 3.48Å; V361-L520 HydrophobicContact CG2-CG 3.37Å; I370-L520 HydrophobicContact CD1-CD1 4.07Å; I370-L520 HydrophobicContact CG2-CD1 4.33Å; A516-L520 WeakPolarHBondContact O-CB 3.14Å; A516-L520 VanDerWaalsContact O-CG 3.31Å; A516-L520 WeakPolarHBondContact O-CG 3.26Å; A516-L520 PolarHBondContact O-N 3.18Å; V517-L520 PolarHBondContact O-N 2.93Å; Y518-L520 PolarHBondContact O-N 2.93Å; L520-A523 PolarHBondContact O-N 3.38Å; L520-Y524 VanDerWaalsContact O-CB 3.32Å; L520-Y524 WeakPolarHBondContact O-CB 3.31Å; L520-Y524 PolarHBondContact O-N 2.93Å
521	K	90.9	Very high	92.2	Very high	21 Å²	21	20.8 Å²	20.8	9%	0.091	9%	0.094	C	C	.	.	H	α-helix	trans	-63.8	-44.8	176.9	-174.3	60.2	171.6	-178.1	0	111	F34 E491 V517 Y518 C519 A523 Y524 L525	F34-K521 VanDerWaalsContact CB-NZ 3.32Å; F34-K521 HydrophobicContact CD1-CD 4.08Å; F34-K521 HydrophobicContact CD2-CD 4.28Å; F34-K521 HydrophobicContact CE1-CD 3.93Å; F34-K521 HydrophobicContact CE2-CD 4.14Å; F34-K521 HydrophobicContact CG-CD 4.24Å; F34-K521 HydrophobicContact CZ-CD 3.96Å; E491-K521 VanDerWaalsContact CD-NZ 3.25Å; E491-K521 WeakPolarHBondContact OE1-CE 3.4Å; E491-K521 IonicContact OE1-NZ 2.83Å; E491-K521 PolarHBondContact OE1-NZ 3.29Å; E491-K521 IonicContact OE2-NZ 2.83Å; E491-K521 PolarHBondContact OE2-NZ 2.72Å; V517-K521 PolarHBondContact O-N 3.43Å; Y518-K521 WeakPolarHBondContact O-CB 3.46Å; Y518-K521 PolarHBondContact O-N 3.33Å; C519-K521 VanDerWaalsContact C-N 3.31Å; C519-K521 PolarHBondContact O-N 3.22Å; K521-A523 VanDerWaalsContact C-N 3.33Å; K521-A523 PolarHBondContact O-N 2.85Å; K521-Y524 PolarHBondContact O-N 3Å; K521-Y524 VanDerWaalsContact O-N 3.13Å; K521-L525 HydrophobicContact CD-CG 4.31Å; K521-L525 HydrophobicContact CG-CD1 4.25Å; K521-L525 HydrophobicContact CG-CG 4.42Å; K521-L525 WeakPolarHBondContact O-CG 3.28Å; K521-L525 PolarHBondContact O-N 3.39Å
522	D	92.6	Very high	92	Very high	12 Å²	12	25.8 Å²	25.8	6%	0.064	11%	0.113	C	C	.	.	H	α-helix	trans	-66.4	-33.5	177.8	-80.6	-1.6	0	0	0	112.4	D323 L481 K493 Y518 C519 P526	D323-D522 HydrophobicContact CB-CB 4.33Å; L481-D522 HydrophobicContact CD2-CB 4.25Å; K493-D522 WeakPolarHBondContact CD-OD1 2.95Å; K493-D522 WeakPolarHBondContact CE-OD1 3.5Å; K493-D522 IonicContact NZ-OD1 3.64Å; K493-D522 PolarHBondContact NZ-OD1 2.66Å; K493-D522 IonicContact NZ-OD2 3.64Å; K493-D522 PolarHBondContact NZ-OD2 2.99Å; Y518-D522 PolarHBondContact O-N 2.97Å; Y518-D522 PolarHBondContact OH-OD2 3.21Å; C519-D522 PolarHBondContact O-N 3.43Å; D522-P526 WeakPolarHBondContact O-CD 3.34Å; D522-P526 WeakPolarHBondContact O-CG 3.48Å
523	A	95.1	Very high	91.5	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-71.7	-28.8	170.8	0	0	0	0	0	113.4	S321 D323 A345 M347 C519 L520 K521	S321-A523 WeakPolarHBondContact CB-O 3.38Å; S321-A523 PolarHBondContact OG-O 3.33Å; D323-A523 HydrophobicContact CB-CB 4Å; A345-A523 HydrophobicContact CB-CB 3.89Å; M347-A523 HydrophobicContact CG-CB 4.26Å; C519-A523 WeakPolarHBondContact O-CB 3.42Å; C519-A523 PolarHBondContact O-N 3.15Å; L520-A523 PolarHBondContact O-N 3.38Å; K521-A523 VanDerWaalsContact C-N 3.33Å; K521-A523 PolarHBondContact O-N 2.85Å
524	Y	94.4	Very high	91.2	Very high	21 Å²	21	23.8 Å²	23.8	8%	0.082	11%	0.109	C	C	.	.	H	α-helix	trans	-85.2	-38.1	-176.9	-176.7	-135.5	0	0	0	113.9	F34 P356 L520 K521 P526 L527 R528	F34-Y524 HydrophobicContact CD2-CD1 4.15Å; F34-Y524 HydrophobicContact CD2-CE1 4.11Å; F34-Y524 AromaticContact CE2-CD1 3.63Å; F34-Y524 HydrophobicContact CE2-CD1 3.63Å; F34-Y524 AromaticContact CE2-CE1 3.89Å; F34-Y524 HydrophobicContact CE2-CE1 3.89Å; P356-Y524 HydrophobicContact CG-CD2 4.44Å; P356-Y524 HydrophobicContact CG-CE2 4.11Å; L520-Y524 VanDerWaalsContact O-CB 3.32Å; L520-Y524 WeakPolarHBondContact O-CB 3.31Å; L520-Y524 PolarHBondContact O-N 2.93Å; K521-Y524 PolarHBondContact O-N 3Å; K521-Y524 VanDerWaalsContact O-N 3.13Å; Y524-P526 VanDerWaalsContact C-N 3.34Å; Y524-L527 HydrophobicContact CD2-CB 4.44Å; Y524-L527 HydrophobicContact CD2-CD1 4.43Å; Y524-L527 WeakPolarHBondContact O-CB 2.97Å; Y524-L527 PolarHBondContact O-N 3.46Å; Y524-R528 HydrophobicContact CD1-CG 4.23Å; Y524-R528 HydrophobicContact CD2-CG 4.32Å; Y524-R528 HydrophobicContact CE1-CG 3.85Å; Y524-R528 HydrophobicContact CE2-CG 3.92Å; Y524-R528 HydrophobicContact CG-CG 4.46Å; Y524-R528 PolarHBondContact O-N 3.3Å
525	L	93.4	Very high	91.1	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-53.6	-41.5	-179.7	-74.6	170.5	0	0	0	113.5	L481 L489 K493 K521 L527 R528 L529	L481-L525 HydrophobicContact CD1-CB 4.08Å; L481-L525 HydrophobicContact CD2-CB 4.35Å; L481-L525 HydrophobicContact CD2-CD1 4.19Å; L481-L525 HydrophobicContact CG-CB 4.45Å; L481-L525 HydrophobicContact CG-CD1 4.2Å; L489-L525 HydrophobicContact CD1-CD2 3.96Å; K493-L525 HydrophobicContact CD-CD1 3.95Å; K521-L525 HydrophobicContact CD-CG 4.31Å; K521-L525 HydrophobicContact CG-CD1 4.25Å; K521-L525 HydrophobicContact CG-CG 4.42Å; K521-L525 WeakPolarHBondContact O-CG 3.28Å; K521-L525 PolarHBondContact O-N 3.39Å; L525-L527 VanDerWaalsContact C-N 3.33Å; L525-L527 PolarHBondContact O-N 2.96Å; L525-R528 PolarHBondContact O-N 3.33Å; L525-L529 WeakPolarHBondContact O-CB 3.45Å; L525-L529 WeakPolarHBondContact O-CG 3.06Å; L525-L529 PolarHBondContact O-N 2.94Å
526	P	94.8	Very high	90.9	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	10%	0.104	C	C	.	.	H	α-helix	trans	-60	-36.7	174.7	-26.3	35.1	0	0	0	113.9	L466 D522 Y524 L530	L466-P526 HydrophobicContact CD2-CB 4.1Å; D522-P526 WeakPolarHBondContact O-CD 3.34Å; D522-P526 WeakPolarHBondContact O-CG 3.48Å; Y524-P526 VanDerWaalsContact C-N 3.34Å; P526-L530 WeakPolarHBondContact O-CB 3.47Å; P526-L530 PolarHBondContact O-N 3.03Å
527	L	93.8	Very high	90.6	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-65.1	-48.4	175.3	-70.2	173.6	0	0	0	111	V319 S321 M347 Q349 T401 Y524 L525 L529 L530 Q531	V319-L527 HydrophobicContact CB-CD2 4.42Å; V319-L527 HydrophobicContact CG1-CD2 3.82Å; S321-L527 VanDerWaalsContact CB-CG 3.48Å; M347-L527 HydrophobicContact CB-CD1 3.6Å; Q349-L527 HydrophobicContact CB-CD1 4.44Å; T401-L527 HydrophobicContact CG2-CD2 3.87Å; Y524-L527 HydrophobicContact CD2-CB 4.44Å; Y524-L527 HydrophobicContact CD2-CD1 4.43Å; Y524-L527 WeakPolarHBondContact O-CB 2.97Å; Y524-L527 PolarHBondContact O-N 3.46Å; L525-L527 VanDerWaalsContact C-N 3.33Å; L525-L527 PolarHBondContact O-N 2.96Å; L527-L529 VanDerWaalsContact C-N 3.31Å; L527-L529 PolarHBondContact O-N 3.41Å; L527-L530 WeakPolarHBondContact O-CB 3.46Å; L527-L530 PolarHBondContact O-N 2.86Å; L527-Q531 WeakPolarHBondContact O-CG 3.26Å; L527-Q531 PolarHBondContact O-N 3.09Å
528	R	91.7	Very high	90.5	Very high	35 Å²	35	21.8 Å²	21.8	13%	0.132	10%	0.1	C	C	.	.	H	α-helix	trans	-58.9	-44	177.8	-61.8	-173.7	86.7	-162.2	12	111.5	E37 L489 E491 Y524 L525 Q531 K532	E37-R528 IonicContact OE1-NH2 3.58Å; E37-R528 PolarHBondContact OE1-NH2 2.93Å; E37-R528 IonicContact OE2-NH2 3.77Å; L489-R528 HydrophobicContact CD1-CB 3.94Å; E491-R528 IonicContact OE2-NH1 3.1Å; E491-R528 PolarHBondContact OE2-NH1 3.38Å; Y524-R528 HydrophobicContact CD1-CG 4.23Å; Y524-R528 HydrophobicContact CD2-CG 4.32Å; Y524-R528 HydrophobicContact CE1-CG 3.85Å; Y524-R528 HydrophobicContact CE2-CG 3.92Å; Y524-R528 HydrophobicContact CG-CG 4.46Å; Y524-R528 PolarHBondContact O-N 3.3Å; L525-R528 PolarHBondContact O-N 3.33Å; R528-Q531 PolarHBondContact O-N 3.3Å; R528-K532 VanDerWaalsContact O-CB 3.26Å; R528-K532 WeakPolarHBondContact O-CB 3.49Å; R528-K532 PolarHBondContact O-N 3.02Å
529	L	91.1	Very high	90.6	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-64.7	-43.9	176.9	-73.7	169.8	0	0	0	111.8	L466 L481 V484 F488 L489 L525 L527 Q531 K532 L533	L466-L529 HydrophobicContact CD2-CB 3.48Å; L466-L529 VanDerWaalsContact CD2-CB 3.48Å; L466-L529 HydrophobicContact CD2-CD1 3.68Å; L466-L529 HydrophobicContact CD2-CG 4.23Å; L481-L529 HydrophobicContact CD1-CD1 4.02Å; V484-L529 HydrophobicContact CG2-CD1 3.91Å; F488-L529 HydrophobicContact CB-CD2 3.78Å; F488-L529 HydrophobicContact CD2-CD2 4.09Å; F488-L529 HydrophobicContact CG-CD2 4.37Å; L489-L529 HydrophobicContact CD1-CD2 4Å; L489-L529 HydrophobicContact CD1-CG 4.04Å; L489-L529 HydrophobicContact CD2-CD2 4.18Å; L489-L529 HydrophobicContact CG-CD2 3.79Å; L489-L529 HydrophobicContact CG-CG 4.37Å; L525-L529 WeakPolarHBondContact O-CB 3.45Å; L525-L529 WeakPolarHBondContact O-CG 3.06Å; L525-L529 PolarHBondContact O-N 2.94Å; L527-L529 VanDerWaalsContact C-N 3.31Å; L527-L529 PolarHBondContact O-N 3.41Å; L529-Q531 VanDerWaalsContact C-N 3.27Å; L529-Q531 PolarHBondContact O-N 2.92Å; L529-K532 PolarHBondContact O-N 2.65Å; L529-L533 WeakPolarHBondContact O-CB 3.46Å; L529-L533 VanDerWaalsContact O-CG 3.27Å; L529-L533 WeakPolarHBondContact O-CG 3.49Å; L529-L533 PolarHBondContact O-N 3.32Å
530	L	91.1	Very high	90.5	Very high	7 Å²	7	21 Å²	21	4%	0.037	10%	0.097	C	C	.	.	H	α-helix	trans	-57.7	-42.1	177.9	-169.5	78.3	0	0	0	111.5	V319 T401 F464 P526 L527 M534 C535 V536	V319-L530 HydrophobicContact CG1-CD2 3.94Å; T401-L530 HydrophobicContact CG2-CD2 4.37Å; F464-L530 HydrophobicContact CD1-CD1 3.5Å; F464-L530 HydrophobicContact CE1-CD1 3.38Å; F464-L530 HydrophobicContact CZ-CD1 4.4Å; P526-L530 WeakPolarHBondContact O-CB 3.47Å; P526-L530 PolarHBondContact O-N 3.03Å; L527-L530 WeakPolarHBondContact O-CB 3.46Å; L527-L530 PolarHBondContact O-N 2.86Å; L530-M534 PolarHBondContact O-N 2.83Å; L530-M534 VanDerWaalsContact O-N 3.12Å; L530-C535 HydrophobicContact CD1-CB 3.61Å; L530-C535 HydrophobicContact CG-CB 4.37Å; L530-C535 PolarHBondContact O-N 3.01Å; L530-V536 HydrophobicContact CD1-CG2 4Å; L530-V536 HydrophobicContact CD2-CG2 3.62Å; L530-V536 HydrophobicContact CG-CG2 3.87Å
531	Q	87.1	Confident	90.4	Very high	71 Å²	71	20.7 Å²	20.7	33%	0.332	10%	0.095	S	C	.	.	H	α-helix	trans	-70.9	-50.1	176.1	-69.4	-170.4	-30.2	0	0	112.4	E353 L527 R528 L529 L533 M534	E353-Q531 PolarHBondContact O-NE2 3.07Å; E353-Q531 VanDerWaalsContact O-NE2 3.14Å; L527-Q531 WeakPolarHBondContact O-CG 3.26Å; L527-Q531 PolarHBondContact O-N 3.09Å; R528-Q531 PolarHBondContact O-N 3.3Å; L529-Q531 VanDerWaalsContact C-N 3.27Å; L529-Q531 PolarHBondContact O-N 2.92Å; Q531-L533 PolarHBondContact O-N 3.49Å; Q531-M534 PolarHBondContact O-N 2.86Å
532	K	86.1	Confident	90.3	Very high	140 Å²	140	20.4 Å²	20.4	61%	0.609	9%	0.094	S	C	*	.	H	α-helix	trans	-57.3	-37.8	-179.3	-174.9	67.6	173.8	-169.7	0	112.3	L489 R528 L529	L489-K532 HydrophobicContact CD2-CB 4.04Å; L489-K532 HydrophobicContact CD2-CG 4.04Å; R528-K532 VanDerWaalsContact O-CB 3.26Å; R528-K532 WeakPolarHBondContact O-CB 3.49Å; R528-K532 PolarHBondContact O-N 3.02Å; L529-K532 PolarHBondContact O-N 2.65Å
533	L	84.7	Confident	90.4	Very high	19 Å²	19	19.9 Å²	19.9	10%	0.099	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-2.9	-179.6	-57.2	179	0	0	0	113.1	L470 Y474 F488 L529 Q531 C535 N538	L470-L533 HydrophobicContact CD2-CD1 3.56Å; Y474-L533 HydrophobicContact CE2-CD1 4.2Å; F488-L533 HydrophobicContact CD1-CD2 3.73Å; F488-L533 HydrophobicContact CD2-CD1 4.3Å; F488-L533 HydrophobicContact CE1-CD2 3.9Å; F488-L533 HydrophobicContact CE2-CD1 4.27Å; F488-L533 HydrophobicContact CG-CD2 4.05Å; F488-L533 HydrophobicContact CZ-CD2 4.37Å; L529-L533 WeakPolarHBondContact O-CB 3.46Å; L529-L533 VanDerWaalsContact O-CG 3.27Å; L529-L533 WeakPolarHBondContact O-CG 3.49Å; L529-L533 PolarHBondContact O-N 3.32Å; Q531-L533 PolarHBondContact O-N 3.49Å; L533-C535 VanDerWaalsContact CB-SG 3.56Å; L533-C535 PolarHBondContact O-N 3.43Å; L533-N538 PolarHBondContact O-ND2 2.93Å
534	M	85.4	Confident	90.2	Very high	40 Å²	40	20.6 Å²	20.6	20%	0.197	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	35.2	179.8	-52	178	-63.8	0	0	113.2	L530 Q531 V536 I537 N538 Q691	L530-M534 PolarHBondContact O-N 2.83Å; L530-M534 VanDerWaalsContact O-N 3.12Å; Q531-M534 PolarHBondContact O-N 2.86Å; M534-V536 PolarHBondContact O-N 2.66Å; M534-I537 PolarHBondContact O-N 2.78Å; M534-N538 WeakPolarHBondContact O-CB 3.42Å; M534-N538 PolarHBondContact O-N 2.96Å; M534-N538 PolarHBondContact O-ND2 2.85Å; M534-Q691 HydrophobicContact CG-CB 4.48Å; M534-Q691 HydrophobicContact CG-CG 4.4Å; M534-Q691 HydrophobicContact SD-CB 3.4Å; M534-Q691 WeakPolarHBondContact SD-CB 3.45Å; M534-Q691 HydrophobicContact SD-CG 3.27Å; M534-Q691 WeakPolarHBondContact SD-CG 3.35Å
535	C	87.1	Confident	90	Very high	5 Å²	5	20.9 Å²	20.9	3%	0.034	10%	0.098	C	C	.	.	H	α-helix	trans	-61.5	-47.1	-167.9	-67.1	0	0	0	0	112.8	F464 L530 L533 I537 N538 Y539	F464-C535 HydrophobicContact CE1-CB 3.64Å; F464-C535 HydrophobicContact CZ-CB 3.78Å; L530-C535 HydrophobicContact CD1-CB 3.61Å; L530-C535 HydrophobicContact CG-CB 4.37Å; L530-C535 PolarHBondContact O-N 3.01Å; L533-C535 VanDerWaalsContact CB-SG 3.56Å; L533-C535 PolarHBondContact O-N 3.43Å; C535-I537 PolarHBondContact O-N 2.86Å; C535-N538 PolarHBondContact O-N 3.44Å; C535-Y539 WeakPolarHBondContact O-CB 3.34Å; C535-Y539 VanDerWaalsContact O-CD2 3.3Å; C535-Y539 WeakPolarHBondContact O-CD2 3.48Å; C535-Y539 PolarHBondContact O-N 3.04Å
536	V	88.4	Confident	89.9	Confident	5 Å²	5	20.9 Å²	20.9	3%	0.03	10%	0.098	C	C	.	.	H	α-helix	trans	-59.7	-49.7	-178.9	176.6	0	0	0	0	110.4	I399 L530 M534 N538 Y539 M540	I399-V536 HydrophobicContact CD1-CG1 3.77Å; I399-V536 HydrophobicContact CD1-CG2 4.16Å; L530-V536 HydrophobicContact CD1-CG2 4Å; L530-V536 HydrophobicContact CD2-CG2 3.62Å; L530-V536 HydrophobicContact CG-CG2 3.87Å; M534-V536 PolarHBondContact O-N 2.66Å; V536-N538 PolarHBondContact O-N 2.8Å; V536-Y539 PolarHBondContact O-N 3.06Å; V536-M540 HydrophobicContact CG1-CG 4.23Å; V536-M540 HydrophobicContact CG1-SD 3.75Å; V536-M540 WeakPolarHBondContact O-CB 3.44Å; V536-M540 VanDerWaalsContact O-CG 3.26Å; V536-M540 WeakPolarHBondContact O-CG 3.35Å; V536-M540 PolarHBondContact O-N 3.28Å
537	I	87.4	Confident	89.8	Confident	4 Å²	4	20.9 Å²	20.9	2%	0.021	10%	0.098	C	C	.	.	H	α-helix	trans	-59	-50	179.9	-64.3	173.6	0	0	0	110.7	I314 M534 C535 Y539 M540 E541 F688 Q691 V692	I314-I537 HydrophobicContact CD1-CG1 4.36Å; M534-I537 PolarHBondContact O-N 2.78Å; C535-I537 PolarHBondContact O-N 2.86Å; I537-Y539 VanDerWaalsContact C-N 3.3Å; I537-Y539 PolarHBondContact O-N 3.28Å; I537-M540 PolarHBondContact O-N 3.01Å; I537-E541 WeakPolarHBondContact O-CG 3.47Å; I537-E541 PolarHBondContact O-N 2.8Å; I537-F688 HydrophobicContact CD1-CD2 4.33Å; I537-F688 HydrophobicContact CD1-CE2 3.74Å; I537-F688 HydrophobicContact CD1-CZ 4.21Å; I537-Q691 HydrophobicContact CD1-CB 4.33Å; I537-V692 HydrophobicContact CD1-CG2 4.43Å; I537-V692 HydrophobicContact CG2-CB 4.18Å; I537-V692 HydrophobicContact CG2-CG2 3.84Å
538	N	88.6	Confident	89.8	Confident	34 Å²	34	20.8 Å²	20.8	18%	0.182	10%	0.098	C	C	.	.	H	α-helix	trans	-59.8	-40.3	-179.3	-70.1	-23	0	0	0	112.3	L533 M534 C535 V536 M542 G695	L533-N538 PolarHBondContact O-ND2 2.93Å; M534-N538 WeakPolarHBondContact O-CB 3.42Å; M534-N538 PolarHBondContact O-N 2.96Å; M534-N538 PolarHBondContact O-ND2 2.85Å; C535-N538 PolarHBondContact O-N 3.44Å; V536-N538 PolarHBondContact O-N 2.8Å; N538-M542 WeakPolarHBondContact O-CB 3.3Å; N538-M542 PolarHBondContact O-N 3.45Å; N538-G695 WeakPolarHBondContact OD1-CA 3.33Å
539	Y	92	Very high	90	Very high	15 Å²	15	19.2 Å²	19.2	6%	0.059	9%	0.092	C	C	.	.	H	α-helix	trans	-76.1	-37.1	179.5	-84.9	-114.8	0	0	0	112.2	F464 V469 R472 D473 C535 V536 I537 M542 A543 L553 L554	F464-Y539 HydrophobicContact CE2-CD1 4.31Å; F464-Y539 HydrophobicContact CE2-CG 4.13Å; F464-Y539 HydrophobicContact CZ-CD2 4.22Å; F464-Y539 HydrophobicContact CZ-CG 4.18Å; V469-Y539 HydrophobicContact CG1-CE2 4.31Å; R472-Y539 PolarHBondContact NE-OH 3.04Å; D473-Y539 PolarHBondContact OD1-OH 3.21Å; D473-Y539 WeakPolarHBondContact OD2-CE2 3.29Å; D473-Y539 PolarHBondContact OD2-OH 3.08Å; C535-Y539 WeakPolarHBondContact O-CB 3.34Å; C535-Y539 VanDerWaalsContact O-CD2 3.3Å; C535-Y539 WeakPolarHBondContact O-CD2 3.48Å; C535-Y539 PolarHBondContact O-N 3.04Å; V536-Y539 PolarHBondContact O-N 3.06Å; I537-Y539 VanDerWaalsContact C-N 3.3Å; I537-Y539 PolarHBondContact O-N 3.28Å; Y539-M542 WeakPolarHBondContact O-CB 3.47Å; Y539-M542 PolarHBondContact O-N 2.93Å; Y539-A543 WeakPolarHBondContact O-CB 3.4Å; Y539-A543 PolarHBondContact O-N 2.73Å; Y539-L553 HydrophobicContact CD1-CB 3.56Å; Y539-L553 HydrophobicContact CD1-CD1 3.93Å; Y539-L553 HydrophobicContact CD1-CG 4.43Å; Y539-L553 HydrophobicContact CE1-CB 3.9Å; Y539-L553 HydrophobicContact CG-CD1 4.35Å; Y539-L553 WeakPolarHBondContact O-CD1 3.41Å; Y539-L554 HydrophobicContact CD1-CD2 4.16Å; Y539-L554 HydrophobicContact CE1-CD2 3.77Å
540	M	91.8	Very high	90.1	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-61.6	-45.5	172.8	-71.2	-179.3	76.9	0	0	111.5	Q92 C259 I314 L317 V536 I537 M542 A543 R544 L550	Q92-M540 VanDerWaalsContact NE2-CE 3.34Å; C259-M540 HydrophobicContact CB-CB 4.31Å; C259-M540 HydrophobicContact CB-CE 3.76Å; C259-M540 HydrophobicContact CB-CG 4.37Å; I314-M540 HydrophobicContact CD1-SD 4.35Å; I314-M540 HydrophobicContact CG1-CE 4.34Å; I314-M540 HydrophobicContact CG2-CE 3.9Å; I314-M540 HydrophobicContact CG2-SD 4.12Å; L317-M540 HydrophobicContact CD1-CE 4.24Å; L317-M540 HydrophobicContact CD1-SD 4.14Å; V536-M540 HydrophobicContact CG1-CG 4.23Å; V536-M540 HydrophobicContact CG1-SD 3.75Å; V536-M540 WeakPolarHBondContact O-CB 3.44Å; V536-M540 VanDerWaalsContact O-CG 3.26Å; V536-M540 WeakPolarHBondContact O-CG 3.35Å; V536-M540 PolarHBondContact O-N 3.28Å; I537-M540 PolarHBondContact O-N 3.01Å; M540-M542 VanDerWaalsContact C-N 3.34Å; M540-M542 PolarHBondContact O-N 2.8Å; M540-A543 WeakPolarHBondContact O-CB 3.38Å; M540-A543 PolarHBondContact O-N 2.86Å; M540-A543 VanDerWaalsContact O-N 3.14Å; M540-R544 WeakPolarHBondContact O-CG 3.45Å; M540-R544 PolarHBondContact O-N 3.15Å; M540-L550 HydrophobicContact CG-CD1 4.48Å; M540-L550 HydrophobicContact CG-CD2 4.37Å
541	E	90.1	Very high	90.2	Very high	1 Å²	1	21 Å²	21	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-65.2	-38.3	176.5	-71.3	-57.4	124.2	0	0	112.1	I537 A543 R544 V545 V692 R696	I537-E541 WeakPolarHBondContact O-CG 3.47Å; I537-E541 PolarHBondContact O-N 2.8Å; E541-A543 VanDerWaalsContact C-N 3.31Å; E541-A543 PolarHBondContact O-N 3.25Å; E541-R544 PolarHBondContact O-N 3.25Å; E541-R544 WeakPolarHBondContact OE1-CD 3.28Å; E541-R544 IonicContact OE1-CZ 3.75Å; E541-R544 IonicContact OE1-NE 3.87Å; E541-R544 IonicContact OE1-NH1 3.78Å; E541-R544 PolarHBondContact OE1-NH1 2.7Å; E541-V545 WeakPolarHBondContact O-CB 3.32Å; E541-V545 VanDerWaalsContact O-CG2 3.24Å; E541-V545 WeakPolarHBondContact O-CG2 3.33Å; E541-V545 PolarHBondContact O-N 3.37Å; E541-V692 HydrophobicContact CG-CG1 4.22Å; E541-R696 HydrophobicContact CB-CB 4.25Å; E541-R696 HydrophobicContact CG-CB 4.1Å; E541-R696 WeakPolarHBondContact OE2-CB 3.47Å; E541-R696 WeakPolarHBondContact OE2-CD 3.14Å; E541-R696 WeakPolarHBondContact OE2-CG 2.99Å
542	M	90.1	Very high	90.4	Very high	16 Å²	16	19.2 Å²	19.2	8%	0.079	9%	0.093	C	C	.	.	H	α-helix	trans	-59.6	-41.9	171.1	-178.4	68.6	67.3	0	0	111.9	N538 Y539 M540 V545 T546 L553 K561 A699 I702	N538-M542 WeakPolarHBondContact O-CB 3.3Å; N538-M542 PolarHBondContact O-N 3.45Å; Y539-M542 WeakPolarHBondContact O-CB 3.47Å; Y539-M542 PolarHBondContact O-N 2.93Å; M540-M542 VanDerWaalsContact C-N 3.34Å; M540-M542 PolarHBondContact O-N 2.8Å; M542-V545 PolarHBondContact O-N 2.94Å; M542-T546 WeakPolarHBondContact O-CB 3.36Å; M542-T546 WeakPolarHBondContact O-CG2 3.27Å; M542-T546 PolarHBondContact O-N 3.33Å; M542-T546 PolarHBondContact O-OG1 2.93Å; M542-T546 HydrophobicContact SD-CG2 3.86Å; M542-L553 HydrophobicContact CB-CD1 3.78Å; M542-L553 HydrophobicContact CG-CD1 3.78Å; M542-L553 HydrophobicContact CG-CD2 3.72Å; M542-L553 HydrophobicContact CG-CG 4.44Å; M542-K561 HydrophobicContact SD-CD 4.39Å; M542-A699 HydrophobicContact CB-CB 4.09Å; M542-A699 VanDerWaalsContact CE-CA 3.47Å; M542-A699 HydrophobicContact CE-CB 3.68Å; M542-A699 HydrophobicContact SD-CB 4.1Å; M542-I702 HydrophobicContact CE-CB 4.08Å; M542-I702 HydrophobicContact CE-CD1 4.2Å; M542-I702 HydrophobicContact CE-CG2 4.13Å
543	A	94	Very high	90.6	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-66.2	-41.6	179.2	0	0	0	0	0	111.6	Y539 M540 E541 G547 V548 L553	Y539-A543 WeakPolarHBondContact O-CB 3.4Å; Y539-A543 PolarHBondContact O-N 2.73Å; M540-A543 WeakPolarHBondContact O-CB 3.38Å; M540-A543 PolarHBondContact O-N 2.86Å; M540-A543 VanDerWaalsContact O-N 3.14Å; E541-A543 VanDerWaalsContact C-N 3.31Å; E541-A543 PolarHBondContact O-N 3.25Å; A543-G547 WeakPolarHBondContact O-CA 3.39Å; A543-G547 PolarHBondContact O-N 3.31Å; A543-V548 WeakPolarHBondContact CB-O 3.36Å; A543-V548 PolarHBondContact O-N 3.41Å; A543-L553 HydrophobicContact CB-CD1 3.9Å
544	R	91.9	Very high	90.6	Very high	15 Å²	15	13.8 Å²	13.8	6%	0.057	7%	0.071	C	C	.	.	H	α-helix	trans	-61.3	-48.4	174	-71.5	169	169.1	-173.7	-8.8	111.9	G258 C259 A307 Q312 K313 M540 E541	G258-R544 WeakPolarHBondContact O-CG 3.41Å; G258-R544 PolarHBondContact O-N 2.87Å; C259-R544 HydrophobicContact CB-CG 4.34Å; C259-R544 PolarHBondContact O-NE 2.78Å; C259-R544 VanDerWaalsContact O-NE 3.07Å; C259-R544 PolarHBondContact O-NH2 2.9Å; A307-R544 HydrophobicContact CB-CB 4.34Å; A307-R544 HydrophobicContact CB-CG 4.06Å; Q312-R544 PolarHBondContact O-NH1 2.8Å; K313-R544 PolarHBondContact O-NH2 2.98Å; M540-R544 WeakPolarHBondContact O-CG 3.45Å; M540-R544 PolarHBondContact O-N 3.15Å; E541-R544 PolarHBondContact O-N 3.25Å; E541-R544 WeakPolarHBondContact OE1-CD 3.28Å; E541-R544 IonicContact OE1-CZ 3.75Å; E541-R544 IonicContact OE1-NE 3.87Å; E541-R544 IonicContact OE1-NH1 3.78Å; E541-R544 PolarHBondContact OE1-NH1 2.7Å
545	V	89.8	Confident	90.6	Very high	27 Å²	27	14.9 Å²	14.9	16%	0.164	8%	0.082	C	C	.	.	H	α-helix	trans	-68.8	-37.9	-178	166.9	0	0	0	0	112.9	E541 M542 Q565 L670 R696 L700	E541-V545 WeakPolarHBondContact O-CB 3.32Å; E541-V545 VanDerWaalsContact O-CG2 3.24Å; E541-V545 WeakPolarHBondContact O-CG2 3.33Å; E541-V545 PolarHBondContact O-N 3.37Å; M542-V545 PolarHBondContact O-N 2.94Å; V545-Q565 PolarHBondContact O-NE2 2.92Å; V545-Q565 VanDerWaalsContact O-NE2 3.09Å; V545-L670 HydrophobicContact CG1-CD2 3.84Å; V545-R696 HydrophobicContact CG2-CG 4.44Å; V545-L700 HydrophobicContact CB-CD2 4.32Å; V545-L700 HydrophobicContact CG1-CD2 3.44Å; V545-L700 VanDerWaalsContact CG1-CD2 3.44Å; V545-L700 HydrophobicContact CG1-CG 4.04Å; V545-L700 HydrophobicContact CG2-CD2 3.84Å; V545-L700 HydrophobicContact CG2-CG 3.92Å
546	T	90.7	Very high	90.5	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	10%	0.1	C	C	.	.	H	α-helix	trans	-94.1	-12.7	-176	58.7	0	0	0	0	113.5	M542 V548 K561 S564 S703	M542-T546 WeakPolarHBondContact O-CB 3.36Å; M542-T546 WeakPolarHBondContact O-CG2 3.27Å; M542-T546 PolarHBondContact O-N 3.33Å; M542-T546 PolarHBondContact O-OG1 2.93Å; M542-T546 HydrophobicContact SD-CG2 3.86Å; T546-V548 WeakPolarHBondContact OG1-CG2 3.31Å; T546-K561 HydrophobicContact CG2-CB 3.82Å; T546-K561 HydrophobicContact CG2-CD 4.12Å; T546-K561 HydrophobicContact CG2-CG 4.11Å; T546-S564 WeakPolarHBondContact O-CB 3.39Å; T546-S564 PolarHBondContact O-OG 3.21Å; T546-S703 WeakPolarHBondContact CG2-OG 3.31Å
547	G	92.9	Very high	90.3	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.01	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	37.1	177.9	0	0	0	0	0	113.1	A543 S564 R568	A543-G547 WeakPolarHBondContact O-CA 3.39Å; A543-G547 PolarHBondContact O-N 3.31Å; G547-S564 PolarHBondContact O-OG 2.66Å; G547-R568 PolarHBondContact O-NH2 2.77Å
548	V	94.9	Very high	90.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.123	C	C	.	.			trans	-120.4	156.9	176.2	-56.8	0	0	0	0	110.5	I248 G258 A543 T546 L553	I248-V548 HydrophobicContact CD1-CB 4.46Å; I248-V548 HydrophobicContact CD1-CG1 4.33Å; G258-V548 WeakPolarHBondContact CA-O 3.2Å; A543-V548 WeakPolarHBondContact CB-O 3.36Å; A543-V548 PolarHBondContact O-N 3.41Å; T546-V548 WeakPolarHBondContact OG1-CG2 3.31Å; V548-L553 HydrophobicContact CG2-CD2 3.7Å; V548-L553 HydrophobicContact CG2-CG 4.26Å
549	P	94.8	Very high	90.1	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.013	13%	0.13	C	C	.	.			trans	-58.4	150.9	173.7	-24.1	33.9	0	0	0	112.8	M251 T551 Y552	M251-P549 HydrophobicContact CE-CG 4.5Å; M251-P549 HydrophobicContact SD-CG 3.69Å; P549-T551 VanDerWaalsContact C-N 3.3Å; P549-T551 PolarHBondContact O-N 3.18Å; P549-Y552 HydrophobicContact CB-CD1 4.17Å; P549-Y552 HydrophobicContact CB-CG 4.36Å; P549-Y552 HydrophobicContact CG-CD1 4.21Å; P549-Y552 HydrophobicContact CG-CD2 4.49Å; P549-Y552 HydrophobicContact CG-CE1 4.36Å; P549-Y552 HydrophobicContact CG-CG 4.27Å; P549-Y552 WeakPolarHBondContact O-CB 3.3Å; P549-Y552 PolarHBondContact O-N 2.67Å; P549-Y552 VanDerWaalsContact O-N 3.17Å
550	L	93.9	Very high	90	Very high	6 Å²	6	24.9 Å²	24.9	3%	0.031	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-40.9	178.9	-177.1	57.5	0	0	0	111.8	V462 M540 Y552 L553	V462-L550 HydrophobicContact CG1-CD2 4.13Å; V462-L550 HydrophobicContact CG1-CG 4.3Å; V462-L550 HydrophobicContact CG2-CD2 4.37Å; M540-L550 HydrophobicContact CG-CD1 4.48Å; M540-L550 HydrophobicContact CG-CD2 4.37Å; L550-Y552 VanDerWaalsContact C-N 3.26Å; L550-Y552 PolarHBondContact O-N 3.09Å; L550-L553 HydrophobicContact CD1-CD1 4.24Å; L550-L553 WeakPolarHBondContact O-CB 3.21Å; L550-L553 PolarHBondContact O-N 2.63Å; L550-L553 VanDerWaalsContact O-N 3.08Å
551	T	91.8	Very high	90	Very high	38 Å²	38	25 Å²	25	23%	0.233	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-29.3	178.4	54.1	0	0	0	0	113.5	V462 P549 L553 L554 S555	V462-T551 HydrophobicContact CG1-CG2 4.3Å; V462-T551 HydrophobicContact CG2-CG2 4.23Å; P549-T551 VanDerWaalsContact C-N 3.3Å; P549-T551 PolarHBondContact O-N 3.18Å; T551-L553 VanDerWaalsContact C-N 3.25Å; T551-L553 PolarHBondContact O-N 2.71Å; T551-L554 PolarHBondContact O-N 3.17Å; T551-S555 PolarHBondContact O-N 3.18Å; T551-S555 VanDerWaalsContact O-N 3.15Å; T551-S555 PolarHBondContact O-OG 3.07Å
552	Y	92.1	Very high	90	Very high	33 Å²	33	25 Å²	25	13%	0.129	13%	0.132	C	C	.	.	H	α-helix	trans	-69.8	-26.9	177.4	-82.3	29.6	0	0	0	111.6	I248 P549 L550 L554 R556 I560	I248-Y552 HydrophobicContact CD1-CD2 4.13Å; I248-Y552 HydrophobicContact CD1-CE2 3.86Å; I248-Y552 HydrophobicContact CG1-CE2 3.95Å; P549-Y552 HydrophobicContact CB-CD1 4.17Å; P549-Y552 HydrophobicContact CB-CG 4.36Å; P549-Y552 HydrophobicContact CG-CD1 4.21Å; P549-Y552 HydrophobicContact CG-CD2 4.49Å; P549-Y552 HydrophobicContact CG-CE1 4.36Å; P549-Y552 HydrophobicContact CG-CG 4.27Å; P549-Y552 WeakPolarHBondContact O-CB 3.3Å; P549-Y552 PolarHBondContact O-N 2.67Å; P549-Y552 VanDerWaalsContact O-N 3.17Å; L550-Y552 VanDerWaalsContact C-N 3.26Å; L550-Y552 PolarHBondContact O-N 3.09Å; Y552-L554 PolarHBondContact O-N 2.56Å; Y552-R556 HydrophobicContact CD2-CG 4.23Å; Y552-R556 HydrophobicContact CG-CG 4.09Å; Y552-R556 WeakPolarHBondContact O-CA 3.41Å; Y552-R556 VanDerWaalsContact O-CB 3.29Å; Y552-R556 WeakPolarHBondContact O-CB 3.08Å; Y552-R556 PolarHBondContact O-N 3.16Å; Y552-I560 HydrophobicContact CD2-CG1 3.99Å; Y552-I560 HydrophobicContact CE2-CG1 4.28Å
553	L	90.4	Very high	90.1	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-67.5	-22.7	176.6	-60.8	-176.4	0	0	0	112.5	R472 Y539 M542 A543 V548 L550 T551 K561	R472-L553 PolarHBondContact NH1-O 2.78Å; R472-L553 PolarHBondContact NH2-O 2.85Å; Y539-L553 HydrophobicContact CD1-CB 3.56Å; Y539-L553 HydrophobicContact CD1-CD1 3.93Å; Y539-L553 HydrophobicContact CD1-CG 4.43Å; Y539-L553 HydrophobicContact CE1-CB 3.9Å; Y539-L553 HydrophobicContact CG-CD1 4.35Å; Y539-L553 WeakPolarHBondContact O-CD1 3.41Å; M542-L553 HydrophobicContact CB-CD1 3.78Å; M542-L553 HydrophobicContact CG-CD1 3.78Å; M542-L553 HydrophobicContact CG-CD2 3.72Å; M542-L553 HydrophobicContact CG-CG 4.44Å; A543-L553 HydrophobicContact CB-CD1 3.9Å; V548-L553 HydrophobicContact CG2-CD2 3.7Å; V548-L553 HydrophobicContact CG2-CG 4.26Å; L550-L553 HydrophobicContact CD1-CD1 4.24Å; L550-L553 WeakPolarHBondContact O-CB 3.21Å; L550-L553 PolarHBondContact O-N 2.63Å; L550-L553 VanDerWaalsContact O-N 3.08Å; T551-L553 VanDerWaalsContact C-N 3.25Å; T551-L553 PolarHBondContact O-N 2.71Å; L553-K561 HydrophobicContact CD2-CD 4.39Å
554	L	85.7	Confident	90.1	Very high	45 Å²	45	24.3 Å²	24.3	24%	0.236	13%	0.128	C	C	.	.	H	α-helix	trans	-94.1	-38.8	177.3	-61.7	172.2	0	0	0	111.9	Q463 F464 V469 Y539 T551 Y552	Q463-L554 WeakPolarHBondContact O-CD1 3.35Å; F464-L554 HydrophobicContact CD2-CD1 3.84Å; F464-L554 HydrophobicContact CD2-CD2 4.43Å; F464-L554 HydrophobicContact CE2-CD1 4.34Å; F464-L554 HydrophobicContact CE2-CD2 4.21Å; F464-L554 HydrophobicContact CG-CD1 4.37Å; V469-L554 HydrophobicContact CG2-CD2 3.74Å; Y539-L554 HydrophobicContact CD1-CD2 4.16Å; Y539-L554 HydrophobicContact CE1-CD2 3.77Å; T551-L554 PolarHBondContact O-N 3.17Å; Y552-L554 PolarHBondContact O-N 2.56Å
555	S	83.5	Confident	90.2	Very high	62 Å²	62	24.3 Å²	24.3	43%	0.434	13%	0.129	S	C	.	.	H	α-helix	trans	-93.5	-19	-172.7	58.6	0	0	0	0	115.1	T551	T551-S555 PolarHBondContact O-N 3.18Å; T551-S555 VanDerWaalsContact O-N 3.15Å; T551-S555 PolarHBondContact O-OG 3.07Å
556	R	86	Confident	90.3	Very high	105 Å²	105	23 Å²	23	40%	0.396	12%	0.121	S	C	.	.	S	Bend	trans	-121	158.5	-175	-52.8	-75.9	-101.5	-152.3	-8.6	111.7	D245 R472 Y552 I560	D245-R556 IonicContact OD1-NH2 2.75Å; D245-R556 IonicContact OD2-CZ 2.75Å; D245-R556 IonicContact OD2-NH2 2.67Å; D245-R556 PolarHBondContact OD2-NH2 3.16Å; R472-R556 PolarHBondContact NH1-O 3.46Å; Y552-R556 HydrophobicContact CD2-CG 4.23Å; Y552-R556 HydrophobicContact CG-CG 4.09Å; Y552-R556 WeakPolarHBondContact O-CA 3.41Å; Y552-R556 VanDerWaalsContact O-CB 3.29Å; Y552-R556 WeakPolarHBondContact O-CB 3.08Å; Y552-R556 PolarHBondContact O-N 3.16Å; R556-I560 HydrophobicContact CB-CG2 3.91Å
557	G	83.5	Confident	90.4	Very high	27 Å²	27	23 Å²	23	28%	0.278	12%	0.121	S	C	.	.			trans	-81	-170.8	177.4	0	0	0	0	0	113.9	Q559	G557-Q559 VanDerWaalsContact C-N 3.35Å; G557-Q559 PolarHBondContact O-N 3.17Å
558	Q	83.8	Confident	90.4	Very high	57 Å²	57	24.3 Å²	24.3	27%	0.266	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-25.1	-176.2	-56.8	-62.7	-20.3	0	0	114.1	I560 K561	Q558-I560 VanDerWaalsContact C-N 3.34Å; Q558-I560 PolarHBondContact O-N 3.39Å; Q558-K561 WeakPolarHBondContact O-CB 3.48Å; Q558-K561 PolarHBondContact O-N 2.77Å; Q558-K561 VanDerWaalsContact OE1-CD 3.32Å
559	Q	88	Confident	90.2	Very high	70 Å²	70	25.4 Å²	25.4	33%	0.327	13%	0.131	S	C	.	.	H	α-helix	trans	-60.4	-38.7	-173.9	-67.9	-174	-1.5	0	0	113.4	G557 K561 V562 V563 F710 V715	G557-Q559 VanDerWaalsContact C-N 3.35Å; G557-Q559 PolarHBondContact O-N 3.17Å; Q559-K561 PolarHBondContact O-N 2.83Å; Q559-V562 PolarHBondContact O-N 2.73Å; Q559-V563 VanDerWaalsContact O-CG2 3.27Å; Q559-V563 WeakPolarHBondContact O-CG2 3.38Å; Q559-V563 PolarHBondContact O-N 3.23Å; Q559-F710 HydrophobicContact CB-CD2 4.2Å; Q559-F710 HydrophobicContact CB-CE2 4.32Å; Q559-F710 HydrophobicContact CG-CD2 4.15Å; Q559-V715 PolarHBondContact NE2-O 3.41Å; Q559-V715 VanDerWaalsContact NE2-O 3.14Å
560	I	90.4	Very high	90	Very high	14 Å²	14	25.3 Å²	25.3	7%	0.072	13%	0.13	C	C	.	.	H	α-helix	trans	-64.3	-30.1	-176.6	-165.4	59.3	0	0	0	112.5	I248 Y552 R556 Q558 V563 S564	I248-I560 HydrophobicContact CG1-CD1 4.44Å; Y552-I560 HydrophobicContact CD2-CG1 3.99Å; Y552-I560 HydrophobicContact CE2-CG1 4.28Å; R556-I560 HydrophobicContact CB-CG2 3.91Å; Q558-I560 VanDerWaalsContact C-N 3.34Å; Q558-I560 PolarHBondContact O-N 3.39Å; I560-V563 PolarHBondContact O-N 3.4Å; I560-S564 PolarHBondContact O-N 3.39Å
561	K	91.2	Very high	89.8	Confident	3 Å²	3	28.1 Å²	28.1	1%	0.013	14%	0.144	C	C	.	.	H	α-helix	trans	-65.5	-48.8	178.1	-59.2	172.7	-177.1	-171.7	0	111	M542 T546 L553 Q558 Q559 V563 S564 Q565	M542-K561 HydrophobicContact SD-CD 4.39Å; T546-K561 HydrophobicContact CG2-CB 3.82Å; T546-K561 HydrophobicContact CG2-CD 4.12Å; T546-K561 HydrophobicContact CG2-CG 4.11Å; L553-K561 HydrophobicContact CD2-CD 4.39Å; Q558-K561 WeakPolarHBondContact O-CB 3.48Å; Q558-K561 PolarHBondContact O-N 2.77Å; Q558-K561 VanDerWaalsContact OE1-CD 3.32Å; Q559-K561 PolarHBondContact O-N 2.83Å; K561-V563 VanDerWaalsContact C-N 3.34Å; K561-S564 PolarHBondContact O-N 3.48Å; K561-Q565 WeakPolarHBondContact O-CG 3.09Å; K561-Q565 PolarHBondContact O-N 3.41Å; K561-Q565 VanDerWaalsContact O-N 3.14Å
562	V	91.2	Very high	89.6	Confident	2 Å²	2	33 Å²	33	1%	0.012	16%	0.162	C	C	.	.	H	α-helix	trans	-66.9	-38.7	178.9	-177.7	0	0	0	0	110.6	Q559 Q565 L566 V707 F710	Q559-V562 PolarHBondContact O-N 2.73Å; V562-Q565 PolarHBondContact O-N 3.2Å; V562-L566 VanDerWaalsContact O-CB 3.31Å; V562-L566 WeakPolarHBondContact O-CB 3.39Å; V562-L566 PolarHBondContact O-N 2.9Å; V562-V707 HydrophobicContact CG1-CG2 4.45Å; V562-V707 HydrophobicContact CG2-CG2 4.45Å; V562-F710 HydrophobicContact CB-CB 4.2Å; V562-F710 HydrophobicContact CB-CD1 4.47Å; V562-F710 HydrophobicContact CB-CD2 4.17Å; V562-F710 HydrophobicContact CB-CG 4.03Å; V562-F710 HydrophobicContact CG1-CB 3.91Å; V562-F710 HydrophobicContact CG1-CD1 3.7Å; V562-F710 HydrophobicContact CG1-CD2 4.28Å; V562-F710 HydrophobicContact CG1-CE1 4.27Å; V562-F710 HydrophobicContact CG1-CG 3.69Å; V562-F710 HydrophobicContact CG2-CB 4.2Å
563	V	92.5	Very high	89.3	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.006	17%	0.169	C	C	.	.	H	α-helix	trans	-61.6	-45.3	175.7	171.8	0	0	0	0	111.4	I244 Q559 I560 K561 Q565 L566 L567 M577 F710 K717	I244-V563 HydrophobicContact CD1-CG1 4.04Å; Q559-V563 VanDerWaalsContact O-CG2 3.27Å; Q559-V563 WeakPolarHBondContact O-CG2 3.38Å; Q559-V563 PolarHBondContact O-N 3.23Å; I560-V563 PolarHBondContact O-N 3.4Å; K561-V563 VanDerWaalsContact C-N 3.34Å; V563-Q565 PolarHBondContact O-N 3.3Å; V563-L566 PolarHBondContact O-N 2.71Å; V563-L567 HydrophobicContact CG1-CD1 3.99Å; V563-L567 HydrophobicContact CG1-CG 4.39Å; V563-L567 VanDerWaalsContact O-CG 3.29Å; V563-L567 WeakPolarHBondContact O-CG 3.38Å; V563-L567 PolarHBondContact O-N 2.96Å; V563-M577 HydrophobicContact CG1-CE 4.39Å; V563-F710 HydrophobicContact CG2-CE2 3.63Å; V563-F710 HydrophobicContact CG2-CZ 3.73Å; V563-K717 HydrophobicContact CG1-CD 4.48Å; V563-K717 HydrophobicContact CG2-CB 4.25Å; V563-K717 HydrophobicContact CG2-CD 4.1Å
564	S	93.9	Very high	89.2	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59	-47.2	176.2	-178	0	0	0	0	111.7	T546 G547 I560 K561 L566 L567 R568	T546-S564 WeakPolarHBondContact O-CB 3.39Å; T546-S564 PolarHBondContact O-OG 3.21Å; G547-S564 PolarHBondContact O-OG 2.66Å; I560-S564 PolarHBondContact O-N 3.39Å; K561-S564 PolarHBondContact O-N 3.48Å; S564-L566 PolarHBondContact O-N 3.06Å; S564-L567 PolarHBondContact O-N 2.93Å; S564-R568 WeakPolarHBondContact O-CG 3.41Å; S564-R568 PolarHBondContact O-N 2.85Å; S564-R568 VanDerWaalsContact O-N 3.1Å
565	Q	92.2	Very high	89.3	Confident	15 Å²	15	36.2 Å²	36.2	7%	0.07	18%	0.18	C	C	.	.	H	α-helix	trans	-63.1	-41	177.8	-69.5	176.4	-27.6	0	0	112.6	V545 K561 V562 V563 R568 Q569 I666	V545-Q565 PolarHBondContact O-NE2 2.92Å; V545-Q565 VanDerWaalsContact O-NE2 3.09Å; K561-Q565 WeakPolarHBondContact O-CG 3.09Å; K561-Q565 PolarHBondContact O-N 3.41Å; K561-Q565 VanDerWaalsContact O-N 3.14Å; V562-Q565 PolarHBondContact O-N 3.2Å; V563-Q565 PolarHBondContact O-N 3.3Å; Q565-R568 PolarHBondContact O-N 3.41Å; Q565-Q569 PolarHBondContact O-N 2.81Å; Q565-I666 HydrophobicContact CB-CG2 4.44Å
566	L	92.4	Very high	89.6	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.5	-43.6	177.9	-175.8	64.4	0	0	0	111.6	I194 V562 V563 S564 Q569 A570 M577 L662 L663 I666 L718	I194-L566 HydrophobicContact CD1-CD1 4.42Å; I194-L566 HydrophobicContact CD1-CD2 4.33Å; I194-L566 HydrophobicContact CD1-CG 4.16Å; V562-L566 VanDerWaalsContact O-CB 3.31Å; V562-L566 WeakPolarHBondContact O-CB 3.39Å; V562-L566 PolarHBondContact O-N 2.9Å; V563-L566 PolarHBondContact O-N 2.71Å; S564-L566 PolarHBondContact O-N 3.06Å; L566-Q569 PolarHBondContact O-N 3.21Å; L566-A570 WeakPolarHBondContact O-CB 3.31Å; L566-A570 PolarHBondContact O-N 2.91Å; L566-M577 HydrophobicContact CD2-SD 4.13Å; L566-L662 HydrophobicContact CD1-CB 4.28Å; L566-L662 HydrophobicContact CD1-CD1 4.01Å; L566-L663 HydrophobicContact CD1-CD2 4.23Å; L566-I666 HydrophobicContact CB-CD1 4.48Å; L566-I666 HydrophobicContact CD1-CD1 4.09Å; L566-L718 HydrophobicContact CD2-CD2 3.85Å
567	L	93.1	Very high	89.8	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.2	-44.7	177.5	-71.9	170	0	0	0	111.9	I244 I248 V252 V563 S564 Q569 A570 M571 M577	I244-L567 HydrophobicContact CD1-CD1 3.71Å; I244-L567 HydrophobicContact CD1-CD2 4.3Å; I244-L567 HydrophobicContact CD1-CG 4.49Å; I244-L567 HydrophobicContact CG1-CD1 3.97Å; I244-L567 HydrophobicContact CG1-CD2 4.33Å; I244-L567 HydrophobicContact CG2-CD1 3.84Å; I248-L567 HydrophobicContact CG2-CD1 4.29Å; V252-L567 HydrophobicContact CG1-CB 4.22Å; V252-L567 HydrophobicContact CG2-CB 4.19Å; V563-L567 HydrophobicContact CG1-CD1 3.99Å; V563-L567 HydrophobicContact CG1-CG 4.39Å; V563-L567 VanDerWaalsContact O-CG 3.29Å; V563-L567 WeakPolarHBondContact O-CG 3.38Å; V563-L567 PolarHBondContact O-N 2.96Å; S564-L567 PolarHBondContact O-N 2.93Å; L567-Q569 VanDerWaalsContact C-N 3.31Å; L567-Q569 PolarHBondContact O-N 2.82Å; L567-A570 PolarHBondContact O-N 3.08Å; L567-M571 WeakPolarHBondContact O-CG 3.45Å; L567-M571 PolarHBondContact O-N 2.65Å; L567-M577 HydrophobicContact CD2-CB 4.4Å; L567-M577 HydrophobicContact CD2-CE 4.45Å
568	R	92.8	Very high	90.1	Very high	29 Å²	29	27.3 Å²	27.3	11%	0.109	13%	0.129	C	C	.	.	H	α-helix	trans	-59.3	-41.9	178	-70.5	175.3	-171.6	-83.3	1.6	112.3	M251 V252 V256 G547 S564 Q565	M251-R568 PolarHBondContact O-NH1 2.88Å; M251-R568 PolarHBondContact O-NH2 3.03Å; M251-R568 VanDerWaalsContact O-NH2 3.17Å; V252-R568 HydrophobicContact CB-CG 4.33Å; V252-R568 HydrophobicContact CG1-CG 3.86Å; V252-R568 HydrophobicContact CG2-CG 3.91Å; V256-R568 PolarHBondContact O-NH2 2.81Å; G547-R568 PolarHBondContact O-NH2 2.77Å; S564-R568 WeakPolarHBondContact O-CG 3.41Å; S564-R568 PolarHBondContact O-N 2.85Å; S564-R568 VanDerWaalsContact O-N 3.1Å; Q565-R568 PolarHBondContact O-N 3.41Å
569	Q	90.9	Very high	90.2	Very high	24 Å²	24	25.6 Å²	25.6	11%	0.112	12%	0.122	C	C	.	.	H	α-helix	trans	-76.5	-37.3	178.1	-64.5	-61	-11.5	0	0	112.5	Q565 L566 L567 M571 K572 L662 I666 N669	Q565-Q569 PolarHBondContact O-N 2.81Å; L566-Q569 PolarHBondContact O-N 3.21Å; L567-Q569 VanDerWaalsContact C-N 3.31Å; L567-Q569 PolarHBondContact O-N 2.82Å; Q569-M571 VanDerWaalsContact C-N 3.29Å; Q569-M571 PolarHBondContact O-N 3.43Å; Q569-K572 PolarHBondContact O-N 2.94Å; Q569-L662 HydrophobicContact CB-CD2 4.25Å; Q569-I666 HydrophobicContact CB-CD1 4.41Å; Q569-I666 HydrophobicContact CB-CG1 4.23Å; Q569-I666 HydrophobicContact CG-CD1 4.2Å; Q569-I666 HydrophobicContact CG-CG1 3.58Å; Q569-N669 PolarHBondContact NE2-ND2 3.33Å
570	A	90.6	Very high	89.9	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.8	-39.5	176.2	0	0	0	0	0	111.9	I194 L566 L567 K572 Q573 D574 L575 L662	I194-A570 HydrophobicContact CD1-CB 3.65Å; I194-A570 HydrophobicContact CG1-CB 4.35Å; L566-A570 WeakPolarHBondContact O-CB 3.31Å; L566-A570 PolarHBondContact O-N 2.91Å; L567-A570 PolarHBondContact O-N 3.08Å; A570-K572 VanDerWaalsContact C-N 3.33Å; A570-K572 PolarHBondContact O-N 2.99Å; A570-Q573 CarbonylContact O-C 3.57Å; A570-Q573 PolarHBondContact O-N 3.44Å; A570-Q573 VanDerWaalsContact O-N 3.17Å; A570-D574 PolarHBondContact O-N 3.03Å; A570-L575 HydrophobicContact CB-CB 4.06Å; A570-L575 PolarHBondContact O-N 3.39Å; A570-L662 HydrophobicContact CB-CD1 4.29Å
571	M	89.4	Confident	89.1	Confident	64 Å²	64	32.1 Å²	32.1	32%	0.315	15%	0.153	S	C	.	.	H	α-helix	trans	-63.3	-35.3	177.1	-79.3	-175	51.4	0	0	113.4	V252 D253 L567 Q569 Q573 D574	V252-M571 HydrophobicContact CB-SD 4.43Å; V252-M571 HydrophobicContact CG1-CE 4.37Å; V252-M571 HydrophobicContact CG1-CG 4.42Å; V252-M571 HydrophobicContact CG1-SD 3.31Å; V252-M571 WeakPolarHBondContact CG1-SD 3.31Å; D253-M571 WeakPolarHBondContact OD1-CE 3.36Å; L567-M571 WeakPolarHBondContact O-CG 3.45Å; L567-M571 PolarHBondContact O-N 2.65Å; Q569-M571 VanDerWaalsContact C-N 3.29Å; Q569-M571 PolarHBondContact O-N 3.43Å; M571-Q573 PolarHBondContact O-N 2.78Å; M571-D574 PolarHBondContact O-N 3.45Å
572	K	88.1	Confident	87.9	Confident	142 Å²	142	34.8 Å²	34.8	62%	0.617	17%	0.17	S	C	*	.	H	α-helix	trans	-67.8	-19.6	176.8	-67.6	178.2	-177.6	-175.4	0	113.7	Q569 A570	Q569-K572 PolarHBondContact O-N 2.94Å; A570-K572 VanDerWaalsContact C-N 3.33Å; A570-K572 PolarHBondContact O-N 2.99Å
573	Q	86	Confident	86.6	Confident	58 Å²	58	43.1 Å²	43.1	27%	0.271	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	14.9	-178.5	-60.2	-172.8	14.5	0	0	112.7	A570 M571 L575 L662 E665	A570-Q573 CarbonylContact O-C 3.57Å; A570-Q573 PolarHBondContact O-N 3.44Å; A570-Q573 VanDerWaalsContact O-N 3.17Å; M571-Q573 PolarHBondContact O-N 2.78Å; Q573-L575 HydrophobicContact CB-CD1 4.01Å; Q573-L575 HydrophobicContact CB-CG 4.24Å; Q573-L575 PolarHBondContact O-N 3.33Å; Q573-L662 VanDerWaalsContact CD-CD2 3.49Å; Q573-L662 HydrophobicContact CG-CD2 4.3Å; Q573-E665 PolarHBondContact NE2-OE2 3.18Å
574	D	87.1	Confident	85.1	Confident	85 Å²	85	46.7 Å²	46.7	46%	0.455	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	37.5	-178.4	-76.3	-55.4	0	0	0	114.7	K189 E190 A570 M571	K189-D574 WeakPolarHBondContact CA-O 3.42Å; K189-D574 WeakPolarHBondContact CB-O 3.42Å; K189-D574 HydrophobicContact CD-CB 4.11Å; K189-D574 WeakPolarHBondContact CD-O 3.45Å; K189-D574 IonicContact NZ-OD1 3.68Å; K189-D574 PolarHBondContact NZ-OD1 3.26Å; E190-D574 PolarHBondContact N-O 2.84Å; A570-D574 PolarHBondContact O-N 3.03Å; M571-D574 PolarHBondContact O-N 3.45Å
575	L	89	Confident	83.9	Confident	3 Å²	3	48.6 Å²	48.6	2%	0.016	27%	0.265	C	S	.	.			trans	-101.4	148.4	175.6	-65.9	168	0	0	0	111.5	E190 I194 A570 Q573 T626 L662	E190-L575 HydrophobicContact CB-CD2 3.73Å; I194-L575 HydrophobicContact CG1-CB 3.98Å; A570-L575 HydrophobicContact CB-CB 4.06Å; A570-L575 PolarHBondContact O-N 3.39Å; Q573-L575 HydrophobicContact CB-CD1 4.01Å; Q573-L575 HydrophobicContact CB-CG 4.24Å; Q573-L575 PolarHBondContact O-N 3.33Å; L575-T626 HydrophobicContact CD1-CG2 3.92Å; L575-L662 HydrophobicContact CD1-CD1 3.71Å; L575-L662 HydrophobicContact CD1-CD2 4.08Å; L575-L662 HydrophobicContact CD1-CG 4.03Å
576	V	89.4	Confident	83.1	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.012	30%	0.301	C	S	.	.			trans	-120.2	136	177.9	-68.7	0	0	0	0	111.6	Y142 K189 G193 I194 F205 Y240 E241	Y142-V576 HydrophobicContact CD2-CG1 3.84Å; Y142-V576 HydrophobicContact CE2-CG1 4.07Å; Y142-V576 HydrophobicContact CG-CG1 4.15Å; K189-V576 HydrophobicContact CB-CG1 4.47Å; K189-V576 HydrophobicContact CD-CG1 4.04Å; K189-V576 HydrophobicContact CG-CG1 3.93Å; G193-V576 CarbonylContact C-O 3.48Å; G193-V576 WeakPolarHBondContact CA-O 3.47Å; I194-V576 PolarHBondContact N-O 2.76Å; F205-V576 HydrophobicContact CD1-CG2 4.45Å; F205-V576 HydrophobicContact CE1-CG2 3.83Å; F205-V576 HydrophobicContact CE2-CG2 4.45Å; F205-V576 HydrophobicContact CZ-CG2 3.82Å; Y240-V576 HydrophobicContact CD1-CB 4.28Å; Y240-V576 HydrophobicContact CD1-CG2 3.69Å; Y240-V576 HydrophobicContact CE1-CG2 4.3Å; Y240-V576 HydrophobicContact CG-CG2 4.14Å; E241-V576 WeakPolarHBondContact OE1-CA 3.49Å
577	M	90.6	Very high	82.6	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.337	C	S	.	.			trans	-83.1	124.3	179.3	-168.8	179	68.8	0	0	111.8	I194 Y240 E241 I244 V563 L566 L567 L718	I194-M577 HydrophobicContact CD1-CB 3.82Å; I194-M577 HydrophobicContact CD1-CG 4.23Å; Y240-M577 CarbonylContact C-O 3.58Å; Y240-M577 WeakPolarHBondContact CA-O 3.33Å; E241-M577 HydrophobicContact CG-CB 4.08Å; E241-M577 WeakPolarHBondContact CG-O 3.49Å; E241-M577 PolarHBondContact N-O 2.93Å; E241-M577 PolarHBondContact OE1-N 2.97Å; I244-M577 HydrophobicContact CD1-CE 3.55Å; V563-M577 HydrophobicContact CG1-CE 4.39Å; L566-M577 HydrophobicContact CD2-SD 4.13Å; L567-M577 HydrophobicContact CD2-CB 4.4Å; L567-M577 HydrophobicContact CD2-CE 4.45Å; M577-L718 HydrophobicContact CG-CD1 4.41Å; M577-L718 HydrophobicContact CG-CD2 4.07Å; M577-L718 HydrophobicContact SD-CD2 4.15Å
578	P	88.7	Confident	82.1	Confident	4 Å²	4	65.4 Å²	65.4	3%	0.026	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-72.8	155.3	176.1	29.5	-33.5	0	0	0	111.9	Y240 V580 L718	Y240-P578 VanDerWaalsContact CD1-CA 3.5Å; Y240-P578 HydrophobicContact CD1-CB 3.86Å; Y240-P578 HydrophobicContact CE1-CB 3.71Å; P578-V580 HydrophobicContact CB-CG2 4.49Å; P578-V580 HydrophobicContact CG-CG2 4.23Å; P578-L718 HydrophobicContact CG-CD1 4.1Å
579	V	85.9	Confident	81.8	Confident	21 Å²	21	69 Å²	69	13%	0.127	37%	0.371	C	S	.	.			trans	-92.1	99.9	168.5	-173.7	0	0	0	0	109.3	A239 A242 N243	A239-V579 PolarHBondContact O-N 2.89Å; A242-V579 HydrophobicContact CB-CG2 4.3Å; N243-V579 HydrophobicContact CB-CG1 4.37Å; N243-V579 HydrophobicContact CB-CG2 4.33Å
580	V	81.5	Confident	81.6	Confident	51 Å²	51	69.6 Å²	69.6	31%	0.309	38%	0.384	S	S	.	.			trans	-87.3	129.5	179.4	-175.1	0	0	0	0	109.7	P578 L718	P578-V580 HydrophobicContact CB-CG2 4.49Å; P578-V580 HydrophobicContact CG-CG2 4.23Å; V580-L718 HydrophobicContact CG2-CD1 3.75Å
581	K	74.1	Confident	81.3	Confident	171 Å²	171	71.6 Å²	71.6	74%	0.743	40%	0.4	S	S	*	.			trans	-79.5	127.8	169.2	-75.2	-176.7	-178.9	174.5	0	108.8
582	T	67.5	Low	81.1	Confident	59 Å²	59	71.4 Å²	71.4	36%	0.362	40%	0.403	S	S	.	.			trans	-96.7	115.7	178.6	53.4	0	0	0	0	110.3	Q714 G716 P719	T582-Q714 WeakPolarHBondContact CB-O 3.42Å; T582-Q714 VanDerWaalsContact CG2-O 3.32Å; T582-Q714 WeakPolarHBondContact CG2-O 3.42Å; T582-G716 VanDerWaalsContact CG2-O 3.28Å; T582-G716 WeakPolarHBondContact CG2-O 3.49Å; T582-P719 HydrophobicContact CG2-CG 3.61Å
583	E	62.9	Low	81.2	Confident	177 Å²	177	65.9 Å²	65.9	83%	0.827	38%	0.381	S	S	*	.			trans	-103.4	142.5	162.8	-65.8	-175.9	177.5	0	0	107.8	G585	E583-G585 PolarHBondContact O-N 3.46Å
584	G	61.4	Low	81.4	Confident	76 Å²	76	63.9 Å²	63.9	78%	0.784	37%	0.372	S	S	*	.			trans	-58.6	113.6	-174.2	0	0	0	0	0	111.4
585	G	69.1	Low	81.7	Confident	39 Å²	39	66 Å²	66	40%	0.402	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-89.9	171.5	178.2	0	0	0	0	0	113.3	E583 Q714	E583-G585 PolarHBondContact O-N 3.46Å; G585-Q714 PolarHBondContact O-NE2 3.07Å; G585-Q714 VanDerWaalsContact O-NE2 3.14Å; G585-Q714 PolarHBondContact O-OE1 3.15Å
586	E	75.6	Confident	81.9	Confident	177 Å²	177	66.6 Å²	66.6	83%	0.827	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-72.3	144.9	173.9	-64.1	-175.2	167.2	0	0	111.8	Q714	E586-Q714 VanDerWaalsContact C-NE2 3.3Å; E586-Q714 PolarHBondContact O-NE2 3.46Å
587	D	80.8	Confident	82.1	Confident	143 Å²	143	69.3 Å²	69.3	77%	0.765	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-66	155	175.9	-156.8	3.5	0	0	0	111
588	Y	83.6	Confident	82.1	Confident	49 Å²	49	75.5 Å²	75.5	19%	0.192	42%	0.423	C	S	.	.			trans	-116.7	158.1	-175.8	67.9	-86.4	0	0	0	113.1	G590 Y708 L721 Q725 T728	Y588-G590 PolarHBondContact O-N 2.78Å; Y588-G590 VanDerWaalsContact O-N 3.12Å; Y588-Y708 PolarHBondContact OH-OH 3.13Å; Y588-L721 HydrophobicContact CD1-CD2 4.15Å; Y588-L721 HydrophobicContact CE1-CD2 4.31Å; Y588-Q725 HydrophobicContact CD2-CG 3.92Å; Y588-Q725 HydrophobicContact CG-CG 3.9Å; Y588-T728 HydrophobicContact CE2-CG2 4.09Å
589	T	85.8	Confident	82.3	Confident	104 Å²	104	76 Å²	76	64%	0.638	43%	0.429	S	S	*	.			trans	-66	114.3	179.4	-46.3	0	0	0	0	111.3	T728 R732	T589-T728 PolarHBondContact O-OG1 3.49Å; T589-R732 PolarHBondContact O-NH1 3.13Å
590	G	85.9	Confident	82.6	Confident	36 Å²	36	78.4 Å²	78.4	37%	0.371	44%	0.436	S	S	.	.			trans	-76	-158.3	177.7	0	0	0	0	0	114.6	Y588 R732	Y588-G590 PolarHBondContact O-N 2.78Å; Y588-G590 VanDerWaalsContact O-N 3.12Å; G590-R732 PolarHBondContact O-NH1 3.25Å
591	A	84.8	Confident	83.1	Confident	42 Å²	42	77.3 Å²	77.3	35%	0.347	43%	0.426	S	S	.	.			trans	-67.2	155.1	-179.8	0	0	0	0	0	113.6	T763	A591-T763 HydrophobicContact CB-CG2 3.47Å; A591-T763 VanDerWaalsContact CB-CG2 3.47Å; A591-T763 VanDerWaalsContact CB-OG1 3.26Å; A591-T763 WeakPolarHBondContact CB-OG1 3.23Å
592	T	85.6	Confident	83.9	Confident	60 Å²	60	72.9 Å²	72.9	37%	0.368	42%	0.417	S	S	.	.			trans	-89.1	141.6	170.8	-70.8	0	0	0	0	110.6	R732 T763	T592-R732 WeakPolarHBondContact OG1-CD 3.47Å; T592-R732 WeakPolarHBondContact OG1-CG 3.28Å; T592-T763 PolarHBondContact O-N 3.34Å
593	V	89.6	Confident	85.1	Confident	27 Å²	27	71.8 Å²	71.8	16%	0.164	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	119.9	169	-178.5	0	0	0	0	107.1	Y760 G761 K813	V593-Y760 HydrophobicContact CG1-CE2 3.7Å; V593-Y760 WeakPolarHBondContact CG1-OH 3.34Å; V593-G761 WeakPolarHBondContact CG1-O 3.17Å; V593-K813 HydrophobicContact CB-CD 4.26Å; V593-K813 HydrophobicContact CG1-CB 4.22Å; V593-K813 HydrophobicContact CG1-CD 3.9Å; V593-K813 HydrophobicContact CG1-CG 3.91Å
594	I	91.4	Very high	86.7	Confident	16 Å²	16	63.4 Å²	63.4	8%	0.082	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	138.4	176.6	-61.1	176.4	0	0	0	108	I735 K739 V758 Y760 G761	I594-I735 HydrophobicContact CD1-CD1 4.08Å; I594-I735 HydrophobicContact CD1-CG1 4.04Å; I594-I735 HydrophobicContact CG1-CD1 4.3Å; I594-K739 HydrophobicContact CD1-CD 4.34Å; I594-V758 HydrophobicContact CD1-CG1 4.21Å; I594-Y760 WeakPolarHBondContact O-CE2 3.41Å; I594-G761 PolarHBondContact N-O 3.48Å
595	E	91.8	Very high	88.4	Confident	128 Å²	128	59.8 Å²	59.8	60%	0.598	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-60.3	126.2	177.2	-71.7	-59	154.7	0	0	110.2	K813	E595-K813 VanDerWaalsContact CD-NZ 3.33Å; E595-K813 WeakPolarHBondContact OE1-CE 3.46Å; E595-K813 IonicContact OE1-NZ 3.24Å; E595-K813 PolarHBondContact OE1-NZ 3.48Å; E595-K813 WeakPolarHBondContact OE2-CE 3.31Å; E595-K813 IonicContact OE2-NZ 4Å
596	P	93.2	Very high	89.7	Confident	16 Å²	16	58 Å²	58	10%	0.104	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-72.7	134	-178.8	28.6	-33.3	0	0	0	110.8	K598 Y760 L810 K813	P596-K598 HydrophobicContact CG-CG 4.38Å; P596-K598 PolarHBondContact O-N 2.91Å; P596-K598 VanDerWaalsContact O-N 3.07Å; P596-Y760 HydrophobicContact CB-CD2 3.67Å; P596-Y760 HydrophobicContact CB-CE2 4.13Å; P596-Y760 HydrophobicContact CB-CG 4.46Å; P596-L810 HydrophobicContact CB-CD1 3.93Å; P596-L810 HydrophobicContact CB-CD2 3.62Å; P596-L810 HydrophobicContact CB-CG 3.81Å; P596-K813 HydrophobicContact CG-CG 4.11Å
597	E	94.1	Very high	90.7	Very high	59 Å²	59	49.5 Å²	49.5	28%	0.276	28%	0.275	S	S	.	.			trans	-76.7	91.9	161.8	-67.5	-176	-173.1	0	0	108.3	G599 Y601 R757 V759 L810	E597-G599 PolarHBondContact O-N 3.23Å; E597-Y601 WeakPolarHBondContact CB-OH 3.36Å; E597-Y601 WeakPolarHBondContact O-CE2 3.4Å; E597-Y601 PolarHBondContact O-OH 2.97Å; E597-R757 VanDerWaalsContact CD-NE 3.29Å; E597-R757 VanDerWaalsContact CD-NH2 3.33Å; E597-R757 IonicContact OE1-CZ 3.5Å; E597-R757 IonicContact OE1-NE 2.7Å; E597-R757 PolarHBondContact OE1-NE 3.37Å; E597-R757 IonicContact OE1-NH2 3.34Å; E597-R757 PolarHBondContact OE1-NH2 2.93Å; E597-R757 IonicContact OE2-CZ 2.69Å; E597-R757 IonicContact OE2-NE 3.84Å; E597-R757 PolarHBondContact OE2-NE 3.26Å; E597-R757 IonicContact OE2-NH2 3.9Å; E597-V759 HydrophobicContact CB-CB 4.31Å; E597-V759 PolarHBondContact N-O 2.83Å; E597-L810 WeakPolarHBondContact O-CD2 3.5Å
598	K	91.8	Very high	91.4	Very high	131 Å²	131	42.8 Å²	42.8	57%	0.57	24%	0.24	S	C	*	.			trans	-64	134.8	-174.9	-59.6	177	-178	171.3	0	110.1	P596 L810 I811	P596-K598 HydrophobicContact CG-CG 4.38Å; P596-K598 PolarHBondContact O-N 2.91Å; P596-K598 VanDerWaalsContact O-N 3.07Å; K598-L810 WeakPolarHBondContact CA-O 3.4Å; K598-I811 VanDerWaalsContact CD-O 3.26Å; K598-I811 WeakPolarHBondContact CD-O 3.27Å; K598-I811 WeakPolarHBondContact CE-O 3.23Å; K598-I811 WeakPolarHBondContact CG-O 3.49Å
599	G	91.3	Very high	91.9	Very high	14 Å²	14	42.4 Å²	42.4	14%	0.144	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166	169.2	-179.1	0	0	0	0	0	113.8	E597 L810	E597-G599 PolarHBondContact O-N 3.23Å; G599-L810 PolarHBondContact N-O 2.9Å; G599-L810 PolarHBondContact O-N 3.44Å
600	Y	91.9	Very high	92.1	Very high	72 Å²	72	37.8 Å²	37.8	28%	0.282	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	121.3	164.7	177.5	-103.3	0	0	0	109.5	P807 L809 I858 L859 I981	Y600-P807 HydrophobicContact CE2-CB 3.95Å; Y600-P807 HydrophobicContact CE2-CG 4.39Å; Y600-P807 WeakPolarHBondContact OH-CB 3.48Å; Y600-L809 HydrophobicContact CD2-CB 4.46Å; Y600-L809 HydrophobicContact CD2-CD1 4.25Å; Y600-I858 HydrophobicContact CE2-CG2 4.08Å; Y600-L859 HydrophobicContact CE2-CD2 4.03Å; Y600-I981 HydrophobicContact CG-CG1 4.4Å
601	Y	92.6	Very high	92.2	Very high	27 Å²	27	37.3 Å²	37.3	11%	0.106	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	108.5	-179.8	-66.6	-95.2	0	0	0	109.3	E597 V603 I605 V759 K769 Y808 L810	E597-Y601 WeakPolarHBondContact CB-OH 3.36Å; E597-Y601 WeakPolarHBondContact O-CE2 3.4Å; E597-Y601 PolarHBondContact O-OH 2.97Å; Y601-V603 PolarHBondContact O-N 3.07Å; Y601-I605 HydrophobicContact CD1-CD1 4Å; Y601-I605 HydrophobicContact CG-CD1 4.26Å; Y601-I605 HydrophobicContact CG-CG1 4.49Å; Y601-V759 HydrophobicContact CE1-CB 4.37Å; Y601-V759 HydrophobicContact CE1-CG1 3.67Å; Y601-K769 HydrophobicContact CD1-CD 4.41Å; Y601-K769 HydrophobicContact CE1-CD 4.28Å; Y601-Y808 HydrophobicContact CD2-CD1 4.05Å; Y601-Y808 PolarHBondContact N-O 2.77Å; Y601-Y808 PolarHBondContact O-N 3.18Å; Y601-L810 HydrophobicContact CE2-CB 4.38Å
602	S	91	Very high	92.3	Very high	78 Å²	78	36.8 Å²	36.8	55%	0.545	20%	0.196	S	C	.	.			trans	-86.6	15.7	173.3	57.9	0	0	0	0	113.2	Y806	S602-Y806 VanDerWaalsContact O-CE2 3.29Å; S602-Y806 WeakPolarHBondContact O-CE2 3.27Å
603	V	93.6	Very high	92.5	Very high	37 Å²	37	34.4 Å²	34.4	22%	0.224	18%	0.182	C	C	.	.	S	Bend	trans	-121.1	150.5	176.6	-64.3	0	0	0	0	109.7	Y601 I605 K769	Y601-V603 PolarHBondContact O-N 3.07Å; V603-I605 HydrophobicContact CG2-CD1 4.3Å; V603-I605 PolarHBondContact O-N 3.43Å; V603-K769 HydrophobicContact CG2-CD 4.44Å; V603-K769 HydrophobicContact CG2-CG 4.16Å
604	P	95.7	Very high	92.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.183	C	C	.	.			trans	-56.1	131.8	175.7	-26.7	35	0	0	0	113.3	V772 V775 A778 V804 Y805 Y806	P604-V772 WeakPolarHBondContact CD-O 3.37Å; P604-V775 HydrophobicContact CG-CG2 4.38Å; P604-A778 HydrophobicContact CB-CB 3.66Å; P604-V804 HydrophobicContact CB-CG1 3.74Å; P604-Y805 WeakPolarHBondContact CA-O 3.42Å; P604-Y806 HydrophobicContact CB-CD2 4.45Å; P604-Y806 HydrophobicContact CG-CD2 3.77Å; P604-Y806 HydrophobicContact CG-CE2 4.17Å; P604-Y806 HydrophobicContact CG-CG 4.11Å
605	I	96.9	Very high	92.7	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	114.2	174.5	-54.6	-60.4	0	0	0	108.9	Y601 V603 V759 M767 K769 V804 Y805 Y808	Y601-I605 HydrophobicContact CD1-CD1 4Å; Y601-I605 HydrophobicContact CG-CD1 4.26Å; Y601-I605 HydrophobicContact CG-CG1 4.49Å; V603-I605 HydrophobicContact CG2-CD1 4.3Å; V603-I605 PolarHBondContact O-N 3.43Å; I605-V759 HydrophobicContact CD1-CG2 4.49Å; I605-V759 HydrophobicContact CG2-CG2 4.1Å; I605-M767 HydrophobicContact CG2-CB 3.88Å; I605-K769 HydrophobicContact CD1-CB 3.68Å; I605-K769 HydrophobicContact CD1-CG 3.97Å; I605-V804 CarbonylContact O-C 3.57Å; I605-V804 VanDerWaalsContact O-CA 3.32Å; I605-V804 WeakPolarHBondContact O-CA 3.37Å; I605-Y805 PolarHBondContact N-O 3.27Å; I605-Y805 PolarHBondContact O-N 2.91Å; I605-Y808 HydrophobicContact CB-CD1 4.4Å; I605-Y808 HydrophobicContact CG1-CD1 3.92Å; I605-Y808 HydrophobicContact CG1-CG 4.25Å; I605-Y808 HydrophobicContact CG2-CD1 4.45Å
606	A	96.6	Very high	92.7	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.008	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	135.7	177.7	0	0	0	0	0	110.3	M767 V768 L770 F801 V804	A606-M767 WeakPolarHBondContact O-CA 3.47Å; A606-V768 PolarHBondContact N-O 2.78Å; A606-V768 PolarHBondContact O-N 2.9Å; A606-L770 HydrophobicContact CB-CD1 3.76Å; A606-L770 HydrophobicContact CB-CG 4.43Å; A606-F801 HydrophobicContact CB-CE2 4.42Å; A606-V804 HydrophobicContact CB-CG2 4.34Å
607	T	96.4	Very high	92.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123.7	176.3	-52.6	0	0	0	0	109.9	V766 M767 E802 K803	T607-V766 WeakPolarHBondContact CA-O 3.42Å; T607-M767 HydrophobicContact CG2-CG 4.26Å; T607-E802 PolarHBondContact O-N 3.01Å; T607-E802 VanDerWaalsContact O-N 3.09Å; T607-K803 HydrophobicContact CG2-CG 4.42Å; T607-K803 PolarHBondContact N-O 3.37Å
608	L	95.4	Very high	92.9	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	130.6	175.5	-43.2	178.8	0	0	0	108.2	V742 S765 V766 V768 G782 A785 A786 L799 E800 F801	L608-V742 HydrophobicContact CD1-CG2 4.46Å; L608-S765 CarbonylContact O-C 3.57Å; L608-S765 VanDerWaalsContact O-CA 3.32Å; L608-S765 WeakPolarHBondContact O-CA 3.49Å; L608-V766 HydrophobicContact CB-CG2 3.84Å; L608-V766 HydrophobicContact CD1-CG2 4.35Å; L608-V766 HydrophobicContact CG-CG2 4.34Å; L608-V766 PolarHBondContact N-O 3.35Å; L608-V766 PolarHBondContact O-N 2.97Å; L608-V768 HydrophobicContact CD1-CG2 4.27Å; L608-V768 HydrophobicContact CG-CG2 4.47Å; L608-G782 VanDerWaalsContact CD2-O 3.27Å; L608-G782 WeakPolarHBondContact CD2-O 3.42Å; L608-A785 HydrophobicContact CD1-CB 3.93Å; L608-A786 HydrophobicContact CD2-CB 4.28Å; L608-L799 HydrophobicContact CB-CD1 4.1Å; L608-L799 HydrophobicContact CB-CD2 3.63Å; L608-L799 HydrophobicContact CB-CG 3.8Å; L608-L799 HydrophobicContact CD1-CD2 3.83Å; L608-L799 HydrophobicContact CG-CD2 4.37Å; L608-E800 WeakPolarHBondContact CA-O 3.09Å; L608-F801 HydrophobicContact CD2-CB 4.38Å; L608-F801 HydrophobicContact CD2-CD2 4.15Å
609	D	93.6	Very high	93	Very high	41 Å²	41	20.4 Å²	20.4	22%	0.219	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	141.5	-173.9	-172.9	21.9	0	0	0	111.6	S611 D764 E800	D609-S611 PolarHBondContact O-N 3.31Å; D609-D764 WeakPolarHBondContact OD1-CB 3.35Å; D609-E800 PolarHBondContact N-O 3.26Å; D609-E800 PolarHBondContact O-N 2.97Å
610	F	91.9	Very high	93.1	Very high	6 Å²	6	20.8 Å²	20.8	3%	0.026	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	121.4	177.9	-78	-72.6	0	0	0	110.9	S612 L613 M734 T738 D764 F793 I797 L799	F610-S612 PolarHBondContact O-N 2.83Å; F610-L613 HydrophobicContact CB-CB 3.92Å; F610-L613 HydrophobicContact CB-CD1 3.79Å; F610-L613 HydrophobicContact CB-CG 4.35Å; F610-L613 HydrophobicContact CD1-CD1 4.3Å; F610-L613 HydrophobicContact CD2-CD1 3.87Å; F610-L613 HydrophobicContact CG-CD1 3.75Å; F610-M734 HydrophobicContact CD1-CE 4.11Å; F610-M734 HydrophobicContact CE1-CE 3.66Å; F610-M734 HydrophobicContact CE2-CE 4.36Å; F610-M734 HydrophobicContact CZ-CB 4.31Å; F610-M734 HydrophobicContact CZ-CE 3.79Å; F610-T738 WeakPolarHBondContact CZ-OG1 3.29Å; F610-D764 VanDerWaalsContact CD2-O 3.25Å; F610-D764 WeakPolarHBondContact CD2-O 3.49Å; F610-D764 PolarHBondContact N-O 3.12Å; F610-F793 HydrophobicContact CE1-CD2 4.1Å; F610-F793 AromaticContact CE1-CE2 3.89Å; F610-F793 HydrophobicContact CE1-CE2 3.89Å; F610-F793 HydrophobicContact CE1-CZ 4.44Å; F610-F793 HydrophobicContact CZ-CD2 4.44Å; F610-F793 AromaticContact CZ-CE2 3.79Å; F610-F793 HydrophobicContact CZ-CE2 3.79Å; F610-F793 AromaticContact CZ-CZ 4Å; F610-F793 HydrophobicContact CZ-CZ 4Å; F610-I797 HydrophobicContact CD1-CG2 3.98Å; F610-I797 HydrophobicContact CE1-CG2 3.83Å; F610-L799 HydrophobicContact CD1-CB 4.33Å; F610-L799 HydrophobicContact CD1-CD1 3.89Å; F610-L799 HydrophobicContact CD2-CD1 3.93Å; F610-L799 HydrophobicContact CE1-CB 4.28Å; F610-L799 HydrophobicContact CE1-CD1 4.01Å; F610-L799 HydrophobicContact CE2-CD1 4.05Å; F610-L799 HydrophobicContact CG-CD1 3.85Å; F610-L799 HydrophobicContact CZ-CD1 4.1Å
611	S	87.6	Confident	93.3	Very high	27 Å²	27	19.3 Å²	19.3	19%	0.189	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	112.9	178.7	80.6	0	0	0	0	110.5	D609 L613 S616 K798	D609-S611 PolarHBondContact O-N 3.31Å; S611-L613 PolarHBondContact O-N 3.2Å; S611-S616 PolarHBondContact O-OG 3.23Å; S611-K798 PolarHBondContact N-O 3.06Å; S611-K798 VanDerWaalsContact N-O 3.13Å; S611-K798 WeakPolarHBondContact OG-CE 3.26Å; S611-K798 WeakPolarHBondContact OG-CG 3.41Å
612	S	85.8	Confident	93.4	Very high	30 Å²	30	18.3 Å²	18.3	21%	0.21	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	52.8	179.7	-69.8	0	0	0	0	112.8	F610 Y614 P615 S616	F610-S612 PolarHBondContact O-N 2.83Å; S612-Y614 PolarHBondContact O-N 2.85Å; S612-P615 VanDerWaalsContact O-CD 3.28Å; S612-P615 WeakPolarHBondContact O-CD 3.43Å; S612-S616 WeakPolarHBondContact O-CB 3.18Å; S612-S616 PolarHBondContact O-N 2.83Å; S612-S616 PolarHBondContact O-OG 2.83Å
613	L	90.5	Very high	93.7	Very high	11 Å²	11	14.6 Å²	14.6	6%	0.058	8%	0.082	C	C	.	.	H	α-helix	trans	-42.9	-62.2	-173.5	-179.7	63.4	0	0	0	114.3	F610 S611 S616 I617 M734 T763 D764	F610-L613 HydrophobicContact CB-CB 3.92Å; F610-L613 HydrophobicContact CB-CD1 3.79Å; F610-L613 HydrophobicContact CB-CG 4.35Å; F610-L613 HydrophobicContact CD1-CD1 4.3Å; F610-L613 HydrophobicContact CD2-CD1 3.87Å; F610-L613 HydrophobicContact CG-CD1 3.75Å; S611-L613 PolarHBondContact O-N 3.2Å; L613-S616 PolarHBondContact O-N 2.86Å; L613-I617 HydrophobicContact CD1-CD1 3.75Å; L613-I617 HydrophobicContact CD1-CG1 4.2Å; L613-I617 HydrophobicContact CG-CD1 3.89Å; L613-I617 WeakPolarHBondContact O-CG1 3.41Å; L613-I617 PolarHBondContact O-N 2.75Å; L613-M734 HydrophobicContact CD1-CE 3.64Å; L613-M734 HydrophobicContact CD1-SD 4.33Å; L613-T763 HydrophobicContact CD2-CG2 4.42Å; L613-D764 HydrophobicContact CB-CB 4.19Å; L613-D764 HydrophobicContact CD2-CB 3.86Å
614	Y	92.3	Very high	93.7	Very high	50 Å²	50	12.9 Å²	12.9	20%	0.196	7%	0.072	C	C	.	.	H	α-helix	trans	-65.3	-47	-174.4	-61.9	-25.2	0	0	0	113.7	S612 S616 I617 M618 Y708 V727 T763	S612-Y614 PolarHBondContact O-N 2.85Å; Y614-S616 VanDerWaalsContact C-N 3.26Å; Y614-S616 PolarHBondContact O-N 3.06Å; Y614-I617 HydrophobicContact CD1-CD1 4.35Å; Y614-I617 PolarHBondContact O-N 2.78Å; Y614-M618 WeakPolarHBondContact O-CG 3.22Å; Y614-M618 PolarHBondContact O-N 2.83Å; Y614-Y708 AromaticContact CD2-CD1 3.52Å; Y614-Y708 HydrophobicContact CD2-CD1 3.52Å; Y614-Y708 HydrophobicContact CD2-CD2 4.3Å; Y614-Y708 AromaticContact CD2-CE1 3.61Å; Y614-Y708 HydrophobicContact CD2-CE1 3.61Å; Y614-Y708 HydrophobicContact CD2-CE2 4.35Å; Y614-Y708 AromaticContact CD2-CG 3.89Å; Y614-Y708 HydrophobicContact CD2-CG 3.89Å; Y614-Y708 HydrophobicContact CE2-CD1 4.06Å; Y614-Y708 AromaticContact CE2-CE1 3.66Å; Y614-Y708 HydrophobicContact CE2-CE1 3.66Å; Y614-Y708 AromaticContact CE2-CZ 3.99Å; Y614-Y708 HydrophobicContact CG-CD1 4.36Å; Y614-Y708 HydrophobicContact CG-CD2 4.42Å; Y614-Y708 HydrophobicContact CG-CG 4.29Å; Y614-V727 HydrophobicContact CD1-CG1 3.5Å; Y614-V727 VanDerWaalsContact CD1-CG1 3.5Å; Y614-V727 HydrophobicContact CE1-CG1 4.18Å; Y614-V727 HydrophobicContact CG-CG1 3.78Å; Y614-T763 WeakPolarHBondContact OH-CG2 3.35Å
615	P	92.3	Very high	93.6	Very high	4 Å²	4	12.9 Å²	12.9	3%	0.026	7%	0.072	C	C	.	.	H	α-helix	trans	-52.4	-43.8	169.4	-31.8	37.4	0	0	0	113.6	S612 M618 M619 L667 L671	S612-P615 VanDerWaalsContact O-CD 3.28Å; S612-P615 WeakPolarHBondContact O-CD 3.43Å; P615-M618 PolarHBondContact O-N 2.98Å; P615-M619 WeakPolarHBondContact O-CE 3.43Å; P615-M619 WeakPolarHBondContact O-CG 3.49Å; P615-M619 PolarHBondContact O-N 2.87Å; P615-L667 HydrophobicContact CB-CD1 4.18Å; P615-L667 HydrophobicContact CB-CD2 4.02Å; P615-L667 HydrophobicContact CG-CD2 4.36Å; P615-L671 HydrophobicContact CB-CD1 4.35Å
616	S	92.9	Very high	93.3	Very high	6 Å²	6	12.9 Å²	12.9	4%	0.042	7%	0.072	C	C	.	.	H	α-helix	trans	-65.7	-40.5	-179.3	-62.3	0	0	0	0	112.5	S611 S612 L613 Y614 M619 A620	S611-S616 PolarHBondContact O-OG 3.23Å; S612-S616 WeakPolarHBondContact O-CB 3.18Å; S612-S616 PolarHBondContact O-N 2.83Å; S612-S616 PolarHBondContact O-OG 2.83Å; L613-S616 PolarHBondContact O-N 2.86Å; Y614-S616 VanDerWaalsContact C-N 3.26Å; Y614-S616 PolarHBondContact O-N 3.06Å; S616-M619 PolarHBondContact O-N 2.79Å; S616-A620 VanDerWaalsContact O-CB 3.25Å; S616-A620 WeakPolarHBondContact O-CB 3.28Å; S616-A620 PolarHBondContact O-N 2.88Å
617	I	94.6	Very high	93.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61.3	-47.2	173.7	-70.5	170	0	0	0	110.8	L613 Y614 M619 A620 H621 L623 V727 F730 M734	L613-I617 HydrophobicContact CD1-CD1 3.75Å; L613-I617 HydrophobicContact CD1-CG1 4.2Å; L613-I617 HydrophobicContact CG-CD1 3.89Å; L613-I617 WeakPolarHBondContact O-CG1 3.41Å; L613-I617 PolarHBondContact O-N 2.75Å; Y614-I617 HydrophobicContact CD1-CD1 4.35Å; Y614-I617 PolarHBondContact O-N 2.78Å; I617-M619 VanDerWaalsContact C-N 3.31Å; I617-M619 PolarHBondContact O-N 3.48Å; I617-A620 PolarHBondContact O-N 3.13Å; I617-H621 PolarHBondContact O-N 2.9Å; I617-H621 VanDerWaalsContact O-N 3.09Å; I617-L623 HydrophobicContact CG2-CD1 4.1Å; I617-V727 HydrophobicContact CG2-CB 4.47Å; I617-V727 HydrophobicContact CG2-CG1 4.34Å; I617-V727 HydrophobicContact CG2-CG2 4.28Å; I617-F730 HydrophobicContact CD1-CB 4.19Å; I617-F730 HydrophobicContact CG2-CB 3.75Å; I617-F730 HydrophobicContact CG2-CD2 4Å; I617-F730 HydrophobicContact CG2-CG 4.2Å; I617-M734 HydrophobicContact CD1-SD 3.77Å; I617-M734 HydrophobicContact CG1-CE 4.4Å; I617-M734 HydrophobicContact CG1-SD 3.65Å
618	M	95.3	Very high	93.1	Very high	1 Å²	1	13 Å²	13	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-60.5	-41.2	-179.4	-69.1	176.9	71.9	0	0	111.8	Y614 P615 N622 L623 L663 L667 V707 I723 V727	Y614-M618 WeakPolarHBondContact O-CG 3.22Å; Y614-M618 PolarHBondContact O-N 2.83Å; P615-M618 PolarHBondContact O-N 2.98Å; M618-N622 WeakPolarHBondContact O-CA 3.44Å; M618-N622 PolarHBondContact O-N 3.14Å; M618-L623 PolarHBondContact O-N 2.87Å; M618-L663 HydrophobicContact CE-CB 3.94Å; M618-L663 HydrophobicContact CE-CD1 3.51Å; M618-L663 HydrophobicContact CE-CG 4.36Å; M618-L667 HydrophobicContact CB-CD1 3.83Å; M618-L667 HydrophobicContact CE-CD1 4.42Å; M618-L667 HydrophobicContact SD-CD1 4.13Å; M618-V707 HydrophobicContact CE-CG1 4.3Å; M618-I723 HydrophobicContact CE-CG2 4.22Å; M618-V727 HydrophobicContact CG-CG2 3.58Å; M618-V727 HydrophobicContact SD-CG2 4.4Å
619	M	94.7	Very high	92.9	Very high	21 Å²	21	13.4 Å²	13.4	10%	0.103	7%	0.074	C	C	.	.	H	α-helix	trans	-69.8	-51.6	176.4	-67.3	-179.2	-62.5	0	0	112.3	P615 S616 I617 H621 N622 P664 L667 E668 L671 P796	P615-M619 WeakPolarHBondContact O-CE 3.43Å; P615-M619 WeakPolarHBondContact O-CG 3.49Å; P615-M619 PolarHBondContact O-N 2.87Å; S616-M619 PolarHBondContact O-N 2.79Å; I617-M619 VanDerWaalsContact C-N 3.31Å; I617-M619 PolarHBondContact O-N 3.48Å; M619-H621 VanDerWaalsContact C-N 3.26Å; M619-H621 PolarHBondContact O-N 3.19Å; M619-N622 PolarHBondContact O-N 2.84Å; M619-P664 HydrophobicContact CG-CB 4.4Å; M619-L667 HydrophobicContact CG-CB 3.87Å; M619-L667 HydrophobicContact CG-CD1 4.28Å; M619-L667 HydrophobicContact SD-CB 3.8Å; M619-E668 HydrophobicContact CG-CG 4.39Å; M619-E668 HydrophobicContact SD-CB 4.44Å; M619-E668 HydrophobicContact SD-CG 3.7Å; M619-L671 HydrophobicContact CE-CD1 3.3Å; M619-L671 HydrophobicContact SD-CD1 3.95Å; M619-P796 HydrophobicContact CB-CG 4.26Å; M619-P796 HydrophobicContact CE-CG 3.53Å; M619-P796 HydrophobicContact SD-CG 4.44Å
620	A	94.2	Very high	92.5	Very high	23 Å²	23	15.1 Å²	15.1	19%	0.19	8%	0.081	C	C	.	.	H	α-helix	trans	-61.8	-33.8	-174.3	0	0	0	0	0	113.1	S616 I617 I797	S616-A620 VanDerWaalsContact O-CB 3.25Å; S616-A620 WeakPolarHBondContact O-CB 3.28Å; S616-A620 PolarHBondContact O-N 2.88Å; I617-A620 PolarHBondContact O-N 3.13Å; A620-I797 HydrophobicContact CB-CD1 3.73Å; A620-I797 HydrophobicContact CB-CG1 3.98Å
621	H	95.2	Very high	92.1	Very high	40 Å²	40	24.7 Å²	24.7	19%	0.185	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	11.4	-179.2	-64.4	-70.6	0	0	0	113.5	I617 M619 L623 I645 F730	I617-H621 PolarHBondContact O-N 2.9Å; I617-H621 VanDerWaalsContact O-N 3.09Å; M619-H621 VanDerWaalsContact C-N 3.26Å; M619-H621 PolarHBondContact O-N 3.19Å; H621-L623 VanDerWaalsContact C-N 3.28Å; H621-L623 HydrophobicContact CB-CD1 4.43Å; H621-L623 HydrophobicContact CB-CD2 4.3Å; H621-L623 HydrophobicContact CB-CG 4.02Å; H621-L623 PolarHBondContact O-N 3Å; H621-I645 HydrophobicContact CB-CD1 3.76Å; H621-I645 WeakPolarHBondContact O-CD1 3.47Å; H621-F730 HydrophobicContact CB-CE2 4.18Å; H621-F730 HydrophobicContact CB-CZ 4.46Å; H621-F730 AromaticContact CE1-CE1 3.97Å; H621-F730 AromaticContact ND1-CZ 3.98Å
622	N	95.7	Very high	91.8	Very high	7 Å²	7	24.7 Å²	24.7	4%	0.037	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	40.9	177.2	-166.6	41.7	0	0	0	114	M618 M619 C624 T627 V654 S656 R659 G661	M618-N622 WeakPolarHBondContact O-CA 3.44Å; M618-N622 PolarHBondContact O-N 3.14Å; M619-N622 PolarHBondContact O-N 2.84Å; N622-C624 PolarHBondContact O-N 2.96Å; N622-T627 WeakPolarHBondContact ND2-CG2 3.37Å; N622-T627 PolarHBondContact O-OG1 3.35Å; N622-V654 PolarHBondContact ND2-O 2.89Å; N622-S656 PolarHBondContact ND2-N 2.76Å; N622-R659 PolarHBondContact ND2-O 3.04Å; N622-G661 PolarHBondContact OD1-N 2.61Å
623	L	95.9	Very high	91.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.122	C	C	.	.			trans	-81	114.5	-176.2	-57.7	177.5	0	0	0	110.7	I617 M618 H621 T647 F653 I723 V727 F730	I617-L623 HydrophobicContact CG2-CD1 4.1Å; M618-L623 PolarHBondContact O-N 2.87Å; H621-L623 VanDerWaalsContact C-N 3.28Å; H621-L623 HydrophobicContact CB-CD1 4.43Å; H621-L623 HydrophobicContact CB-CD2 4.3Å; H621-L623 HydrophobicContact CB-CG 4.02Å; H621-L623 PolarHBondContact O-N 3Å; L623-T647 HydrophobicContact CD2-CG2 4.34Å; L623-F653 HydrophobicContact CD2-CB 4.27Å; L623-F653 HydrophobicContact CD2-CD1 3.89Å; L623-F653 HydrophobicContact CD2-CD2 3.56Å; L623-F653 HydrophobicContact CD2-CE1 4.06Å; L623-F653 HydrophobicContact CD2-CE2 3.74Å; L623-F653 HydrophobicContact CD2-CG 3.64Å; L623-F653 HydrophobicContact CD2-CZ 3.98Å; L623-I723 HydrophobicContact CB-CG2 4.5Å; L623-V727 HydrophobicContact CD1-CG2 3.65Å; L623-F730 HydrophobicContact CD1-CD2 4.26Å; L623-F730 HydrophobicContact CD1-CE2 4.34Å
624	C	94.9	Very high	91.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.123	C	C	.	.			trans	-154.1	160.4	-178.7	-173.5	0	0	0	0	110.8	N622 T626 T627 L628 L662 L663	N622-C624 PolarHBondContact O-N 2.96Å; C624-T626 PolarHBondContact O-N 2.99Å; C624-T626 PolarHBondContact SG-N 3.23Å; C624-T626 PolarHBondContact SG-OG1 3.12Å; C624-T627 HydrophobicContact CB-CG2 4.26Å; C624-T627 WeakPolarHBondContact CB-OG1 3.29Å; C624-T627 PolarHBondContact N-OG1 3.16Å; C624-T627 PolarHBondContact O-N 2.96Å; C624-T627 PolarHBondContact O-OG1 3.48Å; C624-L628 PolarHBondContact O-N 2.87Å; C624-L662 PolarHBondContact SG-N 2.93Å; C624-L663 HydrophobicContact CB-CB 4.41Å; C624-L663 HydrophobicContact CB-CG 4.45Å; C624-L663 PolarHBondContact SG-N 3.13Å; C624-L663 VanDerWaalsContact SG-N 3.36Å
625	Y	92.6	Very high	91.1	Very high	1 Å²	1	29.6 Å²	29.6	0%	0.004	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-53.6	-41.2	167.6	-59.2	-83.4	0	0	0	111.4	I194 Y195 G196 T627 L663 F710 T711 L718 C720 I723	I194-Y625 HydrophobicContact CG2-CD2 4.26Å; I194-Y625 HydrophobicContact CG2-CG 4.1Å; I194-Y625 CarbonylContact O-C 3.51Å; I194-Y625 WeakPolarHBondContact O-CB 3.29Å; Y195-Y625 AromaticContact CD2-CD1 3.98Å; Y195-Y625 HydrophobicContact CD2-CD1 3.98Å; Y195-Y625 HydrophobicContact CE2-CD1 4.03Å; Y195-Y625 HydrophobicContact CE2-CE1 4.35Å; G196-Y625 VanDerWaalsContact CA-O 3.31Å; G196-Y625 WeakPolarHBondContact CA-O 3.29Å; G196-Y625 PolarHBondContact N-O 3.36Å; Y625-T627 VanDerWaalsContact C-N 3.27Å; Y625-T627 PolarHBondContact O-N 2.85Å; Y625-L663 HydrophobicContact CD2-CD1 3.84Å; Y625-L663 HydrophobicContact CD2-CD2 4.31Å; Y625-L663 HydrophobicContact CD2-CG 4.14Å; Y625-L663 HydrophobicContact CE2-CD1 3.74Å; Y625-L663 HydrophobicContact CE2-CD2 4.12Å; Y625-L663 HydrophobicContact CE2-CG 4.26Å; Y625-F710 WeakPolarHBondContact OH-CD1 3.39Å; Y625-F710 WeakPolarHBondContact OH-CE1 3.43Å; Y625-T711 HydrophobicContact CE2-CG2 4.14Å; Y625-L718 HydrophobicContact CD1-CD2 4.15Å; Y625-L718 HydrophobicContact CD1-CG 4.3Å; Y625-L718 HydrophobicContact CD2-CD2 4.27Å; Y625-L718 HydrophobicContact CE1-CD2 3.84Å; Y625-L718 HydrophobicContact CE1-CG 3.75Å; Y625-L718 WeakPolarHBondContact CE1-O 3.3Å; Y625-L718 HydrophobicContact CE2-CD2 4.02Å; Y625-L718 HydrophobicContact CG-CD2 4.34Å; Y625-L718 PolarHBondContact OH-O 3.44Å; Y625-C720 HydrophobicContact CD1-CB 3.69Å; Y625-C720 HydrophobicContact CE1-CB 3.32Å; Y625-I723 HydrophobicContact CD1-CD1 4.2Å; Y625-I723 HydrophobicContact CE1-CD1 4.46Å; Y625-I723 HydrophobicContact CG-CD1 4.24Å
626	T	91.7	Very high	90.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-76.1	-10.4	-174.8	56.4	0	0	0	0	114.4	I194 L575 C624 R659 L662	I194-T626 HydrophobicContact CB-CG2 4.48Å; I194-T626 HydrophobicContact CG2-CG2 4.11Å; I194-T626 WeakPolarHBondContact O-CA 3.44Å; I194-T626 WeakPolarHBondContact O-CG2 3.38Å; I194-T626 PolarHBondContact O-N 3.11Å; L575-T626 HydrophobicContact CD1-CG2 3.92Å; C624-T626 PolarHBondContact O-N 2.99Å; C624-T626 PolarHBondContact SG-N 3.23Å; C624-T626 PolarHBondContact SG-OG1 3.12Å; T626-R659 VanDerWaalsContact CB-NH1 3.31Å; T626-R659 WeakPolarHBondContact O-CD 3.37Å; T626-R659 PolarHBondContact O-NH1 3.14Å; T626-L662 HydrophobicContact CG2-CD1 3.82Å; T626-L662 HydrophobicContact CG2-CG 3.99Å
627	T	93.3	Very high	90.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-115.1	-6.2	-176.5	57.6	0	0	0	0	112.8	N622 C624 Y625 L629 F653 V654	N622-T627 WeakPolarHBondContact ND2-CG2 3.37Å; N622-T627 PolarHBondContact O-OG1 3.35Å; C624-T627 HydrophobicContact CB-CG2 4.26Å; C624-T627 WeakPolarHBondContact CB-OG1 3.29Å; C624-T627 PolarHBondContact N-OG1 3.16Å; C624-T627 PolarHBondContact O-N 2.96Å; C624-T627 PolarHBondContact O-OG1 3.48Å; Y625-T627 VanDerWaalsContact C-N 3.27Å; Y625-T627 PolarHBondContact O-N 2.85Å; T627-L629 PolarHBondContact O-N 3.17Å; T627-F653 VanDerWaalsContact O-CA 3.31Å; T627-F653 WeakPolarHBondContact O-CA 3.44Å; T627-V654 HydrophobicContact CG2-CG2 3.91Å; T627-V654 PolarHBondContact O-N 2.88Å
628	L	94	Very high	89.8	Confident	3 Å²	3	43.9 Å²	43.9	2%	0.016	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	122.4	177.8	176.9	65.1	0	0	0	111.4	G196 Y197 C624 F653 E722	G196-L628 CarbonylContact C-O 3.57Å; G196-L628 VanDerWaalsContact CA-O 3.32Å; G196-L628 WeakPolarHBondContact CA-O 3.22Å; Y197-L628 PolarHBondContact N-O 2.85Å; C624-L628 PolarHBondContact O-N 2.87Å; L628-F653 HydrophobicContact CB-CD1 4.21Å; L628-F653 HydrophobicContact CB-CE1 3.81Å; L628-F653 HydrophobicContact CB-CZ 4.48Å; L628-F653 HydrophobicContact CD1-CD1 4.4Å; L628-F653 HydrophobicContact CD1-CE1 3.77Å; L628-F653 HydrophobicContact CD1-CE2 4.03Å; L628-F653 HydrophobicContact CD1-CZ 3.57Å; L628-F653 HydrophobicContact CG-CE1 4.39Å; L628-E722 HydrophobicContact CD1-CB 4.24Å; L628-E722 HydrophobicContact CD2-CB 4.42Å
629	L	91.3	Very high	89.4	Confident	10 Å²	10	45.4 Å²	45.4	5%	0.052	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	127.6	173.8	-72.1	167.6	0	0	0	110.5	Y197 T627 A633 A634 L637 L639 F644 Q652 V654	Y197-L629 HydrophobicContact CD1-CD2 3.8Å; T627-L629 PolarHBondContact O-N 3.17Å; L629-A633 HydrophobicContact CD2-CB 4.24Å; L629-A634 HydrophobicContact CD1-CB 4.49Å; L629-L637 HydrophobicContact CD2-CD1 4.41Å; L629-L639 HydrophobicContact CD1-CD1 4.2Å; L629-L639 HydrophobicContact CD2-CD1 3.84Å; L629-F644 HydrophobicContact CD1-CB 3.68Å; L629-F644 HydrophobicContact CD1-CG 4.04Å; L629-Q652 HydrophobicContact CB-CB 3.91Å; L629-Q652 WeakPolarHBondContact CB-O 3.19Å; L629-Q652 HydrophobicContact CD1-CB 4.04Å; L629-Q652 PolarHBondContact N-O 3.12Å; L629-V654 HydrophobicContact CD1-CG1 3.83Å; L629-V654 HydrophobicContact CD2-CG1 3.92Å; L629-V654 HydrophobicContact CG-CG1 3.9Å
630	Q	86.8	Confident	89.1	Confident	78 Å²	78	46.5 Å²	46.5	36%	0.364	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-73.3	156.1	170.9	-66.3	-64.3	-33.2	0	0	110.5	G632 A633	Q630-G632 PolarHBondContact O-N 3.33Å; Q630-A633 HydrophobicContact CB-CB 4.26Å; Q630-A633 WeakPolarHBondContact O-CB 3.3Å; Q630-A633 PolarHBondContact O-N 3.26Å
631	K	83.1	Confident	88.7	Confident	206 Å²	206	50.4 Å²	50.4	90%	0.896	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	128	178.9	-65.3	-176.6	-179.2	178.8	0	110.8	A633	K631-A633 PolarHBondContact O-N 3.15Å
632	G	81.9	Confident	88.4	Confident	28 Å²	28	54.3 Å²	54.3	29%	0.289	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	3.5	-176.5	0	0	0	0	0	115.2	Q630 K636	Q630-G632 PolarHBondContact O-N 3.33Å; G632-K636 WeakPolarHBondContact O-CG 3.47Å; G632-K636 PolarHBondContact O-N 2.96Å
633	A	83.1	Confident	88.2	Confident	12 Å²	12	56.2 Å²	56.2	10%	0.099	31%	0.308	C	S	.	.	H	α-helix	trans	-71.9	-35.2	177.3	0	0	0	0	0	112.4	L629 Q630 K631 E635 K636 L637	L629-A633 HydrophobicContact CD2-CB 4.24Å; Q630-A633 HydrophobicContact CB-CB 4.26Å; Q630-A633 WeakPolarHBondContact O-CB 3.3Å; Q630-A633 PolarHBondContact O-N 3.26Å; K631-A633 PolarHBondContact O-N 3.15Å; A633-E635 VanDerWaalsContact C-N 3.34Å; A633-E635 PolarHBondContact O-N 2.77Å; A633-K636 PolarHBondContact O-N 2.89Å; A633-L637 VanDerWaalsContact O-CB 3.31Å; A633-L637 WeakPolarHBondContact O-CB 3.42Å; A633-L637 VanDerWaalsContact O-CG 3.29Å; A633-L637 WeakPolarHBondContact O-CG 3.43Å; A633-L637 PolarHBondContact O-N 2.75Å
634	A	84.3	Confident	88.1	Confident	10 Å²	10	58 Å²	58	8%	0.083	32%	0.316	C	S	.	.	H	α-helix	trans	-58.3	-46	178.1	0	0	0	0	0	111.9	L629 L637 G638 L639 F644	L629-A634 HydrophobicContact CD1-CB 4.49Å; A634-L637 PolarHBondContact O-N 3.05Å; A634-G638 PolarHBondContact O-N 2.97Å; A634-G638 VanDerWaalsContact O-N 3.11Å; A634-L639 PolarHBondContact O-N 3.29Å; A634-F644 HydrophobicContact CB-CE1 4.19Å
635	E	84.9	Confident	88.1	Confident	172 Å²	172	59.9 Å²	59.9	80%	0.804	33%	0.326	S	S	*	.	H	α-helix	trans	-64.8	-46	177.1	-66.2	160.7	-169.6	0	0	111.6	A633 L637 G638	A633-E635 VanDerWaalsContact C-N 3.34Å; A633-E635 PolarHBondContact O-N 2.77Å; E635-L637 VanDerWaalsContact C-N 3.29Å; E635-L637 PolarHBondContact O-N 2.86Å; E635-G638 PolarHBondContact O-N 3.44Å
636	K	84.5	Confident	88.1	Confident	185 Å²	185	66.9 Å²	66.9	80%	0.804	36%	0.356	S	S	*	.	H	α-helix	trans	-63.8	-32.9	179.4	-73.6	175.6	-177.3	177.5	0	113.5	G632 A633	G632-K636 WeakPolarHBondContact O-CG 3.47Å; G632-K636 PolarHBondContact O-N 2.96Å; A633-K636 PolarHBondContact O-N 2.89Å
637	L	84.3	Confident	88.3	Confident	57 Å²	57	67.2 Å²	67.2	30%	0.298	36%	0.358	S	S	.	.	H	α-helix	trans	-89.4	-5.3	179.8	-67.6	171.5	0	0	0	112.6	Y197 L629 A633 A634 E635 L639	Y197-L637 HydrophobicContact CD1-CD1 3.89Å; Y197-L637 HydrophobicContact CE1-CD1 3.96Å; L629-L637 HydrophobicContact CD2-CD1 4.41Å; A633-L637 VanDerWaalsContact O-CB 3.31Å; A633-L637 WeakPolarHBondContact O-CB 3.42Å; A633-L637 VanDerWaalsContact O-CG 3.29Å; A633-L637 WeakPolarHBondContact O-CG 3.43Å; A633-L637 PolarHBondContact O-N 2.75Å; A634-L637 PolarHBondContact O-N 3.05Å; E635-L637 VanDerWaalsContact C-N 3.29Å; E635-L637 PolarHBondContact O-N 2.86Å; L637-L639 VanDerWaalsContact C-N 3.27Å; L637-L639 HydrophobicContact CB-CD1 4.27Å; L637-L639 HydrophobicContact CB-CG 3.91Å; L637-L639 HydrophobicContact CD1-CD1 4.3Å; L637-L639 PolarHBondContact O-N 3.18Å
638	G	84.9	Confident	88.3	Confident	68 Å²	68	70.4 Å²	70.4	70%	0.701	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	30.7	-177.5	0	0	0	0	0	113.4	A634 E635	A634-G638 PolarHBondContact O-N 2.97Å; A634-G638 VanDerWaalsContact O-N 3.11Å; E635-G638 PolarHBondContact O-N 3.44Å
639	L	87.2	Confident	88.1	Confident	33 Å²	33	73 Å²	73	17%	0.173	40%	0.395	C	S	.	.			trans	-74.1	134.8	-179.9	-65.5	176	0	0	0	110.6	Y197 L629 A634 L637 D643 F644 V654	Y197-L639 HydrophobicContact CD1-CD1 4.5Å; Y197-L639 HydrophobicContact CE1-CD1 4.24Å; L629-L639 HydrophobicContact CD1-CD1 4.2Å; L629-L639 HydrophobicContact CD2-CD1 3.84Å; A634-L639 PolarHBondContact O-N 3.29Å; L637-L639 VanDerWaalsContact C-N 3.27Å; L637-L639 HydrophobicContact CB-CD1 4.27Å; L637-L639 HydrophobicContact CB-CG 3.91Å; L637-L639 HydrophobicContact CD1-CD1 4.3Å; L637-L639 PolarHBondContact O-N 3.18Å; L639-D643 HydrophobicContact CB-CB 4.27Å; L639-D643 HydrophobicContact CD2-CB 4.26Å; L639-F644 HydrophobicContact CB-CD1 4.43Å; L639-V654 HydrophobicContact CD1-CG1 3.95Å
640	S	87.6	Confident	88.1	Confident	44 Å²	44	74.2 Å²	74.2	31%	0.308	41%	0.41	S	S	.	.			trans	-73.7	158.1	174.2	74.4	0	0	0	0	110.9	D642 D643 F644	S640-D642 PolarHBondContact O-N 2.91Å; S640-D642 VanDerWaalsContact O-N 3.1Å; S640-D642 PolarHBondContact OG-N 2.79Å; S640-D643 WeakPolarHBondContact CB-OD2 3.32Å; S640-D643 PolarHBondContact N-OD2 3.29Å; S640-D643 WeakPolarHBondContact O-CB 3.42Å; S640-D643 PolarHBondContact O-N 3.27Å; S640-D643 PolarHBondContact OG-N 3.27Å; S640-D643 PolarHBondContact OG-OD2 3.5Å; S640-F644 VanDerWaalsContact O-CD1 3.23Å; S640-F644 WeakPolarHBondContact O-CD1 3.48Å; S640-F644 VanDerWaalsContact O-CE1 3.31Å; S640-F644 WeakPolarHBondContact O-CE1 3.41Å
641	P	86.4	Confident	88.4	Confident	105 Å²	105	72.2 Å²	72.2	68%	0.682	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-22.2	172.2	-25.5	35.6	0	0	0	113.9	D643	P641-D643 VanDerWaalsContact C-N 3.32Å
642	D	89.1	Confident	89	Confident	122 Å²	122	65 Å²	65	65%	0.652	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-13.7	177.2	-69.8	-40.6	0	0	0	113.3	S640 K655	S640-D642 PolarHBondContact O-N 2.91Å; S640-D642 VanDerWaalsContact O-N 3.1Å; S640-D642 PolarHBondContact OG-N 2.79Å; D642-K655 WeakPolarHBondContact O-CD 3.39Å; D642-K655 WeakPolarHBondContact O-CE 2.95Å; D642-K655 PolarHBondContact O-NZ 2.96Å
643	D	90.9	Very high	89.6	Confident	47 Å²	47	63.6 Å²	63.6	25%	0.251	36%	0.357	S	S	.	.	S	Bend	trans	-87.4	-14.2	-177.3	-67.2	-43.8	0	0	0	113.6	L639 S640 P641 V654 K655 V658	L639-D643 HydrophobicContact CB-CB 4.27Å; L639-D643 HydrophobicContact CD2-CB 4.26Å; S640-D643 WeakPolarHBondContact CB-OD2 3.32Å; S640-D643 PolarHBondContact N-OD2 3.29Å; S640-D643 WeakPolarHBondContact O-CB 3.42Å; S640-D643 PolarHBondContact O-N 3.27Å; S640-D643 PolarHBondContact OG-N 3.27Å; S640-D643 PolarHBondContact OG-OD2 3.5Å; P641-D643 VanDerWaalsContact C-N 3.32Å; D643-V654 WeakPolarHBondContact O-CA 3.44Å; D643-K655 PolarHBondContact O-N 2.76Å; D643-V658 HydrophobicContact CB-CG2 3.91Å
644	F	93.2	Very high	90.1	Very high	38 Å²	38	63 Å²	63	17%	0.167	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	165.2	-179	67.1	-89.3	0	0	0	112.5	L629 A634 L639 S640 Q652 F653	L629-F644 HydrophobicContact CD1-CB 3.68Å; L629-F644 HydrophobicContact CD1-CG 4.04Å; A634-F644 HydrophobicContact CB-CE1 4.19Å; L639-F644 HydrophobicContact CB-CD1 4.43Å; S640-F644 VanDerWaalsContact O-CD1 3.23Å; S640-F644 WeakPolarHBondContact O-CD1 3.48Å; S640-F644 VanDerWaalsContact O-CE1 3.31Å; S640-F644 WeakPolarHBondContact O-CE1 3.41Å; F644-Q652 HydrophobicContact CD2-CB 4.26Å; F644-Q652 HydrophobicContact CD2-CG 4.13Å; F644-Q652 HydrophobicContact CE2-CG 4.18Å; F644-F653 CarbonylContact C-O 3.58Å; F644-F653 WeakPolarHBondContact CA-O 3.22Å; F644-F653 VanDerWaalsContact CB-O 3.29Å; F644-F653 WeakPolarHBondContact CB-O 3.43Å
645	I	94.2	Very high	90.5	Very high	39 Å²	39	66 Å²	66	20%	0.2	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	154	171.7	64.3	168.2	0	0	0	109.5	H621 Q652 F653 K655 F730	H621-I645 HydrophobicContact CB-CD1 3.76Å; H621-I645 WeakPolarHBondContact O-CD1 3.47Å; I645-Q652 WeakPolarHBondContact O-CA 3.29Å; I645-F653 HydrophobicContact CG1-CB 4.12Å; I645-F653 PolarHBondContact N-O 3.44Å; I645-F653 PolarHBondContact O-N 3.16Å; I645-K655 HydrophobicContact CG2-CD 4.42Å; I645-K655 HydrophobicContact CG2-CG 3.95Å; I645-F730 HydrophobicContact CD1-CZ 4.4Å
646	K	93.9	Very high	90.9	Very high	148 Å²	148	61.7 Å²	61.7	64%	0.643	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.4	169.6	-169.2	175.9	-178.9	179.1	0	109.2	D651	K646-D651 CarbonylContact C-O 3.55Å; K646-D651 WeakPolarHBondContact CA-O 3.33Å
647	T	94.9	Very high	91.2	Very high	7 Å²	7	57.6 Å²	57.6	4%	0.043	35%	0.347	C	S	.	.			trans	-81.5	164.2	-179.8	73.3	0	0	0	0	110.8	L623 T649 G650 D651 F653 S726 F730	L623-T647 HydrophobicContact CD2-CG2 4.34Å; T647-T649 PolarHBondContact O-N 2.9Å; T647-T649 VanDerWaalsContact O-N 3.12Å; T647-T649 PolarHBondContact OG1-OG1 3.16Å; T647-G650 PolarHBondContact O-N 3.32Å; T647-D651 HydrophobicContact CG2-CB 4.43Å; T647-D651 PolarHBondContact N-O 3.29Å; T647-D651 PolarHBondContact OG1-N 2.88Å; T647-D651 PolarHBondContact OG1-O 2.89Å; T647-F653 HydrophobicContact CG2-CD2 3.54Å; T647-F653 HydrophobicContact CG2-CE2 3.68Å; T647-S726 WeakPolarHBondContact CB-OG 3.38Å; T647-S726 WeakPolarHBondContact CG2-OG 3.25Å; T647-S726 PolarHBondContact OG1-OG 2.98Å; T647-F730 HydrophobicContact CG2-CE2 3.83Å; T647-F730 HydrophobicContact CG2-CZ 4.2Å
648	P	93.4	Very high	91.5	Very high	67 Å²	67	56.3 Å²	56.3	44%	0.435	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-21.8	176.7	-26.8	37.1	0	0	0	114.1	F730	P648-F730 HydrophobicContact CG-CD1 3.88Å; P648-F730 HydrophobicContact CG-CE1 4.04Å; P648-F730 HydrophobicContact CG-CG 4.29Å
649	T	91.1	Very high	91.7	Very high	57 Å²	57	54 Å²	54	35%	0.35	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-11	176.1	52	0	0	0	0	113	T647 D651 Q725 S726	T647-T649 PolarHBondContact O-N 2.9Å; T647-T649 VanDerWaalsContact O-N 3.12Å; T647-T649 PolarHBondContact OG1-OG1 3.16Å; T649-D651 PolarHBondContact OG1-OD2 3.44Å; T649-Q725 HydrophobicContact CG2-CB 4.11Å; T649-Q725 WeakPolarHBondContact CG2-O 3.27Å; T649-S726 PolarHBondContact OG1-OG 2.88Å
650	G	90.6	Very high	91.9	Very high	35 Å²	35	56.8 Å²	56.8	36%	0.361	32%	0.322	S	S	.	.	S	Bend	trans	102.3	-3.9	176	0	0	0	0	0	114.8	T647	T647-G650 PolarHBondContact O-N 3.32Å
651	D	93.4	Very high	92.1	Very high	37 Å²	37	54.7 Å²	54.7	20%	0.198	31%	0.308	C	S	.	.			trans	-70.3	154.9	177	-55.3	-65.6	0	0	0	111.3	K646 T647 T649 F653 S726	K646-D651 CarbonylContact C-O 3.55Å; K646-D651 WeakPolarHBondContact CA-O 3.33Å; T647-D651 HydrophobicContact CG2-CB 4.43Å; T647-D651 PolarHBondContact N-O 3.29Å; T647-D651 PolarHBondContact OG1-N 2.88Å; T647-D651 PolarHBondContact OG1-O 2.89Å; T649-D651 PolarHBondContact OG1-OD2 3.44Å; D651-F653 HydrophobicContact CB-CD2 4.5Å; D651-F653 HydrophobicContact CB-CE2 3.86Å; D651-S726 PolarHBondContact OD2-OG 3.22Å
652	Q	94.4	Very high	92.3	Very high	53 Å²	53	49.7 Å²	49.7	25%	0.248	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	134.1	-177.9	-68.6	175.9	-26.6	0	0	110.5	L629 F644 I645	L629-Q652 HydrophobicContact CB-CB 3.91Å; L629-Q652 WeakPolarHBondContact CB-O 3.19Å; L629-Q652 HydrophobicContact CD1-CB 4.04Å; L629-Q652 PolarHBondContact N-O 3.12Å; F644-Q652 HydrophobicContact CD2-CB 4.26Å; F644-Q652 HydrophobicContact CD2-CG 4.13Å; F644-Q652 HydrophobicContact CE2-CG 4.18Å; I645-Q652 WeakPolarHBondContact O-CA 3.29Å
653	F	95.2	Very high	92.6	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	137.6	177.8	-69.7	-96.8	0	0	0	110.5	L623 T627 L628 F644 I645 T647 D651 I723	L623-F653 HydrophobicContact CD2-CB 4.27Å; L623-F653 HydrophobicContact CD2-CD1 3.89Å; L623-F653 HydrophobicContact CD2-CD2 3.56Å; L623-F653 HydrophobicContact CD2-CE1 4.06Å; L623-F653 HydrophobicContact CD2-CE2 3.74Å; L623-F653 HydrophobicContact CD2-CG 3.64Å; L623-F653 HydrophobicContact CD2-CZ 3.98Å; T627-F653 VanDerWaalsContact O-CA 3.31Å; T627-F653 WeakPolarHBondContact O-CA 3.44Å; L628-F653 HydrophobicContact CB-CD1 4.21Å; L628-F653 HydrophobicContact CB-CE1 3.81Å; L628-F653 HydrophobicContact CB-CZ 4.48Å; L628-F653 HydrophobicContact CD1-CD1 4.4Å; L628-F653 HydrophobicContact CD1-CE1 3.77Å; L628-F653 HydrophobicContact CD1-CE2 4.03Å; L628-F653 HydrophobicContact CD1-CZ 3.57Å; L628-F653 HydrophobicContact CG-CE1 4.39Å; F644-F653 CarbonylContact C-O 3.58Å; F644-F653 WeakPolarHBondContact CA-O 3.22Å; F644-F653 VanDerWaalsContact CB-O 3.29Å; F644-F653 WeakPolarHBondContact CB-O 3.43Å; I645-F653 HydrophobicContact CG1-CB 4.12Å; I645-F653 PolarHBondContact N-O 3.44Å; I645-F653 PolarHBondContact O-N 3.16Å; T647-F653 HydrophobicContact CG2-CD2 3.54Å; T647-F653 HydrophobicContact CG2-CE2 3.68Å; D651-F653 HydrophobicContact CB-CD2 4.5Å; D651-F653 HydrophobicContact CB-CE2 3.86Å; F653-I723 HydrophobicContact CE1-CG1 3.97Å; F653-I723 HydrophobicContact CZ-CG1 3.97Å
654	V	94.4	Very high	92.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	144.7	175.3	-65.5	0	0	0	0	111.6	Y197 N622 T627 L629 L639 D643 V658 R659	Y197-V654 HydrophobicContact CD1-CG1 3.69Å; Y197-V654 HydrophobicContact CD1-CG2 4.49Å; Y197-V654 HydrophobicContact CD2-CG2 4.46Å; Y197-V654 HydrophobicContact CE1-CG1 3.97Å; Y197-V654 HydrophobicContact CG-CG1 4.23Å; Y197-V654 HydrophobicContact CG-CG2 4.26Å; N622-V654 PolarHBondContact ND2-O 2.89Å; T627-V654 HydrophobicContact CG2-CG2 3.91Å; T627-V654 PolarHBondContact O-N 2.88Å; L629-V654 HydrophobicContact CD1-CG1 3.83Å; L629-V654 HydrophobicContact CD2-CG1 3.92Å; L629-V654 HydrophobicContact CG-CG1 3.9Å; L639-V654 HydrophobicContact CD1-CG1 3.95Å; D643-V654 WeakPolarHBondContact O-CA 3.44Å; V654-V658 HydrophobicContact CB-CB 4.35Å; V654-R659 HydrophobicContact CG2-CB 4.2Å
655	K	93.1	Very high	92.6	Very high	72 Å²	72	42.2 Å²	42.2	31%	0.313	24%	0.235	S	C	.	.			trans	-70.1	160	175.3	-68.5	-172.8	-168.1	162.4	0	111.3	D642 D643 I645 S657 V658 R659	D642-K655 WeakPolarHBondContact O-CD 3.39Å; D642-K655 WeakPolarHBondContact O-CE 2.95Å; D642-K655 PolarHBondContact O-NZ 2.96Å; D643-K655 PolarHBondContact O-N 2.76Å; I645-K655 HydrophobicContact CG2-CD 4.42Å; I645-K655 HydrophobicContact CG2-CG 3.95Å; K655-S657 PolarHBondContact O-N 3.49Å; K655-V658 PolarHBondContact O-N 3.38Å; K655-R659 PolarHBondContact O-N 2.72Å
656	S	91.9	Very high	92.5	Very high	82 Å²	82	40.6 Å²	40.6	57%	0.573	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-22	179	53.2	0	0	0	0	113.6	N622 V658	N622-S656 PolarHBondContact ND2-N 2.76Å; S656-V658 VanDerWaalsContact C-N 3.26Å; S656-V658 PolarHBondContact O-N 2.92Å
657	S	90.9	Very high	92.5	Very high	99 Å²	99	33.5 Å²	33.5	69%	0.692	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-29.5	173	51.5	0	0	0	0	113.3	K655	K655-S657 PolarHBondContact O-N 3.49Å
658	V	90.1	Very high	92.3	Very high	29 Å²	29	36.9 Å²	36.9	18%	0.176	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-49.5	178.4	-178.6	0	0	0	0	110.5	Y197 D643 V654 K655 S656	Y197-V658 HydrophobicContact CE1-CG1 4.35Å; Y197-V658 WeakPolarHBondContact OH-CG1 3.36Å; D643-V658 HydrophobicContact CB-CG2 3.91Å; V654-V658 HydrophobicContact CB-CB 4.35Å; K655-V658 PolarHBondContact O-N 3.38Å; S656-V658 VanDerWaalsContact C-N 3.26Å; S656-V658 PolarHBondContact O-N 2.92Å
659	R	89.1	Confident	92	Very high	21 Å²	21	37.2 Å²	37.2	8%	0.079	21%	0.21	C	C	.	.			trans	-151.8	127.2	177.9	-170	-179.7	-158.4	-171.4	8.3	110.8	E190 Y197 N622 T626 V654 K655	E190-R659 IonicContact OE1-CZ 3.23Å; E190-R659 IonicContact OE1-NE 2.73Å; E190-R659 IonicContact OE1-NH2 2.7Å; E190-R659 PolarHBondContact OE1-NH2 3.35Å; E190-R659 VanDerWaalsContact OE1-NH2 3.13Å; E190-R659 IonicContact OE2-CZ 3.79Å; E190-R659 IonicContact OE2-NH2 2.73Å; E190-R659 PolarHBondContact OE2-NH2 2.85Å; Y197-R659 HydrophobicContact CE2-CB 4.22Å; N622-R659 PolarHBondContact ND2-O 3.04Å; T626-R659 VanDerWaalsContact CB-NH1 3.31Å; T626-R659 WeakPolarHBondContact O-CD 3.37Å; T626-R659 PolarHBondContact O-NH1 3.14Å; V654-R659 HydrophobicContact CG2-CB 4.2Å; K655-R659 PolarHBondContact O-N 2.72Å
660	K	91.6	Very high	91.9	Very high	91 Å²	91	35 Å²	35	40%	0.396	20%	0.196	S	C	.	.			trans	-78.3	129.1	169	-167.9	172.9	-177.8	179.6	0	110.1	E668	K660-E668 WeakPolarHBondContact CE-OE1 3.43Å; K660-E668 IonicContact NZ-OE1 3.46Å; K660-E668 PolarHBondContact NZ-OE1 3.12Å; K660-E668 IonicContact NZ-OE2 3.13Å; K660-E668 PolarHBondContact NZ-OE2 2.95Å
661	G	92	Very high	91.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.188	C	C	.	.			trans	-74.2	148.9	179.6	0	0	0	0	0	113.6	N622 P664 E665	N622-G661 PolarHBondContact OD1-N 2.61Å; G661-P664 WeakPolarHBondContact O-CD 3.45Å; G661-E665 PolarHBondContact O-N 3.06Å
662	L	92.1	Very high	91.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.7	-43.9	174.6	-68	177.8	0	0	0	113.1	I194 L566 Q569 A570 Q573 L575 C624 T626 E665 I666	I194-L662 HydrophobicContact CD1-CD1 4.22Å; I194-L662 HydrophobicContact CG1-CD1 4.12Å; I194-L662 HydrophobicContact CG2-CD1 4.39Å; L566-L662 HydrophobicContact CD1-CB 4.28Å; L566-L662 HydrophobicContact CD1-CD1 4.01Å; Q569-L662 HydrophobicContact CB-CD2 4.25Å; A570-L662 HydrophobicContact CB-CD1 4.29Å; Q573-L662 VanDerWaalsContact CD-CD2 3.49Å; Q573-L662 HydrophobicContact CG-CD2 4.3Å; L575-L662 HydrophobicContact CD1-CD1 3.71Å; L575-L662 HydrophobicContact CD1-CD2 4.08Å; L575-L662 HydrophobicContact CD1-CG 4.03Å; C624-L662 PolarHBondContact SG-N 2.93Å; T626-L662 HydrophobicContact CG2-CD1 3.82Å; T626-L662 HydrophobicContact CG2-CG 3.99Å; L662-E665 PolarHBondContact O-N 3.14Å; L662-I666 VanDerWaalsContact O-CG1 3.31Å; L662-I666 WeakPolarHBondContact O-CG1 3.26Å; L662-I666 PolarHBondContact O-N 3.23Å
663	L	93.6	Very high	91.1	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-63.9	-46.3	-179.3	-58.2	-178.4	0	0	0	112	L566 M618 C624 Y625 E665 I666 L667 V707 T711 I723	L566-L663 HydrophobicContact CD1-CD2 4.23Å; M618-L663 HydrophobicContact CE-CB 3.94Å; M618-L663 HydrophobicContact CE-CD1 3.51Å; M618-L663 HydrophobicContact CE-CG 4.36Å; C624-L663 HydrophobicContact CB-CB 4.41Å; C624-L663 HydrophobicContact CB-CG 4.45Å; C624-L663 PolarHBondContact SG-N 3.13Å; C624-L663 VanDerWaalsContact SG-N 3.36Å; Y625-L663 HydrophobicContact CD2-CD1 3.84Å; Y625-L663 HydrophobicContact CD2-CD2 4.31Å; Y625-L663 HydrophobicContact CD2-CG 4.14Å; Y625-L663 HydrophobicContact CE2-CD1 3.74Å; Y625-L663 HydrophobicContact CE2-CD2 4.12Å; Y625-L663 HydrophobicContact CE2-CG 4.26Å; L663-E665 VanDerWaalsContact C-N 3.31Å; L663-E665 PolarHBondContact O-N 3.01Å; L663-I666 HydrophobicContact CD2-CD1 4.34Å; L663-I666 PolarHBondContact O-N 2.81Å; L663-L667 WeakPolarHBondContact O-CB 3.35Å; L663-L667 VanDerWaalsContact O-CG 3.28Å; L663-L667 WeakPolarHBondContact O-CG 3.23Å; L663-L667 PolarHBondContact O-N 2.86Å; L663-V707 HydrophobicContact CD2-CG1 4.07Å; L663-T711 HydrophobicContact CD1-CG2 3.84Å; L663-I723 HydrophobicContact CD1-CD1 4.41Å
664	P	93.8	Very high	90.8	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.013	20%	0.199	C	C	.	.	H	α-helix	trans	-50.4	-46.7	169.2	-31	34.9	0	0	0	113.7	M619 G661 L667 E668	M619-P664 HydrophobicContact CG-CB 4.4Å; G661-P664 WeakPolarHBondContact O-CD 3.45Å; P664-L667 PolarHBondContact O-N 3.1Å; P664-E668 WeakPolarHBondContact O-CB 3.34Å; P664-E668 WeakPolarHBondContact O-CG 3.4Å; P664-E668 PolarHBondContact O-N 2.81Å
665	E	91.9	Very high	90.5	Very high	46 Å²	46	43.9 Å²	43.9	22%	0.215	23%	0.232	C	C	.	.	H	α-helix	trans	-66.1	-41.3	-179.8	-173.9	176.1	175	0	0	112.9	Q573 G661 L662 L663 L667 E668 N669	Q573-E665 PolarHBondContact NE2-OE2 3.18Å; G661-E665 PolarHBondContact O-N 3.06Å; L662-E665 PolarHBondContact O-N 3.14Å; L663-E665 VanDerWaalsContact C-N 3.31Å; L663-E665 PolarHBondContact O-N 3.01Å; E665-L667 VanDerWaalsContact C-N 3.31Å; E665-L667 PolarHBondContact O-N 2.81Å; E665-E668 PolarHBondContact O-N 2.78Å; E665-N669 WeakPolarHBondContact O-CB 3.26Å; E665-N669 VanDerWaalsContact O-CG 3.25Å; E665-N669 PolarHBondContact O-N 2.9Å; E665-N669 PolarHBondContact O-ND2 3.06Å; E665-N669 VanDerWaalsContact O-ND2 3.14Å
666	I	91.9	Very high	90.1	Very high	5 Å²	5	45.8 Å²	45.8	3%	0.026	24%	0.237	C	C	.	.	H	α-helix	trans	-58.6	-46.4	173.1	-67.9	164.5	0	0	0	110.1	Q565 L566 Q569 L662 L663 N669 L670 V707	Q565-I666 HydrophobicContact CB-CG2 4.44Å; L566-I666 HydrophobicContact CB-CD1 4.48Å; L566-I666 HydrophobicContact CD1-CD1 4.09Å; Q569-I666 HydrophobicContact CB-CD1 4.41Å; Q569-I666 HydrophobicContact CB-CG1 4.23Å; Q569-I666 HydrophobicContact CG-CD1 4.2Å; Q569-I666 HydrophobicContact CG-CG1 3.58Å; L662-I666 VanDerWaalsContact O-CG1 3.31Å; L662-I666 WeakPolarHBondContact O-CG1 3.26Å; L662-I666 PolarHBondContact O-N 3.23Å; L663-I666 HydrophobicContact CD2-CD1 4.34Å; L663-I666 PolarHBondContact O-N 2.81Å; I666-N669 PolarHBondContact O-N 3.15Å; I666-L670 HydrophobicContact CG2-CD1 3.84Å; I666-L670 HydrophobicContact CG2-CG 4.4Å; I666-L670 WeakPolarHBondContact O-CB 3.45Å; I666-L670 VanDerWaalsContact O-CG 3.26Å; I666-L670 WeakPolarHBondContact O-CG 3.45Å; I666-L670 PolarHBondContact O-N 3.14Å; I666-V707 HydrophobicContact CG2-CG2 4.39Å
667	L	92.9	Very high	89.8	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-67	-41.9	-179.2	-70.6	173.1	0	0	0	112.3	P615 M618 M619 L663 P664 E665 N669 L670 L671 A704 V707	P615-L667 HydrophobicContact CB-CD1 4.18Å; P615-L667 HydrophobicContact CB-CD2 4.02Å; P615-L667 HydrophobicContact CG-CD2 4.36Å; M618-L667 HydrophobicContact CB-CD1 3.83Å; M618-L667 HydrophobicContact CE-CD1 4.42Å; M618-L667 HydrophobicContact SD-CD1 4.13Å; M619-L667 HydrophobicContact CG-CB 3.87Å; M619-L667 HydrophobicContact CG-CD1 4.28Å; M619-L667 HydrophobicContact SD-CB 3.8Å; L663-L667 WeakPolarHBondContact O-CB 3.35Å; L663-L667 VanDerWaalsContact O-CG 3.28Å; L663-L667 WeakPolarHBondContact O-CG 3.23Å; L663-L667 PolarHBondContact O-N 2.86Å; P664-L667 PolarHBondContact O-N 3.1Å; E665-L667 VanDerWaalsContact C-N 3.31Å; E665-L667 PolarHBondContact O-N 2.81Å; L667-N669 VanDerWaalsContact C-N 3.34Å; L667-N669 PolarHBondContact O-N 3.41Å; L667-L670 PolarHBondContact O-N 2.68Å; L667-L671 WeakPolarHBondContact O-CB 3.35Å; L667-L671 VanDerWaalsContact O-CG 3.29Å; L667-L671 WeakPolarHBondContact O-CG 3.35Å; L667-L671 PolarHBondContact O-N 3.23Å; L667-A704 HydrophobicContact CD2-CB 4.27Å; L667-V707 HydrophobicContact CD2-CB 3.93Å; L667-V707 HydrophobicContact CD2-CG1 4.18Å; L667-V707 HydrophobicContact CD2-CG2 3.98Å; L667-V707 HydrophobicContact CG-CG1 4.34Å
668	E	90.9	Very high	89.7	Confident	77 Å²	77	42 Å²	42	36%	0.36	20%	0.198	S	C	.	.	H	α-helix	trans	-58.2	-47.1	173.8	-78.1	174.1	-159.3	0	0	110.8	M619 K660 P664 E665 L671 S672	M619-E668 HydrophobicContact CG-CG 4.39Å; M619-E668 HydrophobicContact SD-CB 4.44Å; M619-E668 HydrophobicContact SD-CG 3.7Å; K660-E668 WeakPolarHBondContact CE-OE1 3.43Å; K660-E668 IonicContact NZ-OE1 3.46Å; K660-E668 PolarHBondContact NZ-OE1 3.12Å; K660-E668 IonicContact NZ-OE2 3.13Å; K660-E668 PolarHBondContact NZ-OE2 2.95Å; P664-E668 WeakPolarHBondContact O-CB 3.34Å; P664-E668 WeakPolarHBondContact O-CG 3.4Å; P664-E668 PolarHBondContact O-N 2.81Å; E665-E668 PolarHBondContact O-N 2.78Å; E668-L671 PolarHBondContact O-N 3.21Å; E668-S672 WeakPolarHBondContact O-CB 3.27Å; E668-S672 PolarHBondContact O-N 3.36Å
669	N	87.8	Confident	89.6	Confident	75 Å²	75	43.7 Å²	43.7	40%	0.401	21%	0.209	S	C	.	.	H	α-helix	trans	-62.1	-45.9	178	-74.4	-30.7	0	0	0	111.8	Q569 E665 I666 L667 A673	Q569-N669 PolarHBondContact NE2-ND2 3.33Å; E665-N669 WeakPolarHBondContact O-CB 3.26Å; E665-N669 VanDerWaalsContact O-CG 3.25Å; E665-N669 PolarHBondContact O-N 2.9Å; E665-N669 PolarHBondContact O-ND2 3.06Å; E665-N669 VanDerWaalsContact O-ND2 3.14Å; I666-N669 PolarHBondContact O-N 3.15Å; L667-N669 VanDerWaalsContact C-N 3.34Å; L667-N669 PolarHBondContact O-N 3.41Å; N669-A673 WeakPolarHBondContact O-CB 3.26Å; N669-A673 PolarHBondContact O-N 2.91Å
670	L	89.2	Confident	89.4	Confident	11 Å²	11	46.9 Å²	46.9	6%	0.058	22%	0.224	C	C	.	.	H	α-helix	trans	-63.9	-45.1	178.2	-72.3	171.9	0	0	0	112.4	V545 I666 L667 R674 L700 A704 V707	V545-L670 HydrophobicContact CG1-CD2 3.84Å; I666-L670 HydrophobicContact CG2-CD1 3.84Å; I666-L670 HydrophobicContact CG2-CG 4.4Å; I666-L670 WeakPolarHBondContact O-CB 3.45Å; I666-L670 VanDerWaalsContact O-CG 3.26Å; I666-L670 WeakPolarHBondContact O-CG 3.45Å; I666-L670 PolarHBondContact O-N 3.14Å; L667-L670 PolarHBondContact O-N 2.68Å; L670-R674 WeakPolarHBondContact O-CB 3.42Å; L670-R674 PolarHBondContact O-N 2.92Å; L670-L700 HydrophobicContact CD2-CD2 3.73Å; L670-A704 HydrophobicContact CB-CB 4.41Å; L670-A704 HydrophobicContact CD1-CB 4.39Å; L670-V707 HydrophobicContact CD1-CG2 4.41Å
671	L	88.5	Confident	89.2	Confident	38 Å²	38	44.6 Å²	44.6	20%	0.199	22%	0.216	C	C	.	.	H	α-helix	trans	-72.4	-37.7	-179	-69.4	172.8	0	0	0	112.1	P615 M619 L667 E668 R674 K675 A704	P615-L671 HydrophobicContact CB-CD1 4.35Å; M619-L671 HydrophobicContact CE-CD1 3.3Å; M619-L671 HydrophobicContact SD-CD1 3.95Å; L667-L671 WeakPolarHBondContact O-CB 3.35Å; L667-L671 VanDerWaalsContact O-CG 3.29Å; L667-L671 WeakPolarHBondContact O-CG 3.35Å; L667-L671 PolarHBondContact O-N 3.23Å; E668-L671 PolarHBondContact O-N 3.21Å; L671-R674 WeakPolarHBondContact O-CB 3.32Å; L671-R674 PolarHBondContact O-N 2.78Å; L671-K675 PolarHBondContact O-N 2.84Å; L671-A704 HydrophobicContact CD2-CB 4.42Å
672	S	87.1	Confident	89	Confident	57 Å²	57	53.2 Å²	53.2	40%	0.399	25%	0.254	S	S	.	.	H	α-helix	trans	-64	-47.3	174.1	-176.3	0	0	0	0	111.1	E668 R674 K675 R676	E668-S672 WeakPolarHBondContact O-CB 3.27Å; E668-S672 PolarHBondContact O-N 3.36Å; S672-R674 VanDerWaalsContact C-N 3.27Å; S672-R674 PolarHBondContact O-N 2.96Å; S672-K675 WeakPolarHBondContact O-CB 3.32Å; S672-K675 PolarHBondContact O-N 2.96Å; S672-K675 VanDerWaalsContact O-N 3.16Å; S672-R676 PolarHBondContact O-N 3.19Å; S672-R676 PolarHBondContact OG-NH1 2.93Å
673	A	85.7	Confident	88.9	Confident	13 Å²	13	61.1 Å²	61.1	11%	0.107	29%	0.288	C	S	.	.	H	α-helix	trans	-59.3	-39.2	173.4	0	0	0	0	0	111.6	N669 K675 R676 A677 L700	N669-A673 WeakPolarHBondContact O-CB 3.26Å; N669-A673 PolarHBondContact O-N 2.91Å; A673-K675 PolarHBondContact O-N 3Å; A673-R676 PolarHBondContact O-N 2.88Å; A673-A677 WeakPolarHBondContact O-CB 3.35Å; A673-A677 PolarHBondContact O-N 3.3Å; A673-L700 HydrophobicContact CB-CD1 3.99Å; A673-L700 HydrophobicContact CB-CD2 3.86Å
674	R	89.5	Confident	88.6	Confident	44 Å²	44	63.4 Å²	63.4	17%	0.166	30%	0.299	C	S	.	.	H	α-helix	trans	-64.8	-40.8	177	-172.6	-179.6	173	-139	-4.2	111.5	L670 L671 S672 A677 K678 Q697 L700	L670-R674 WeakPolarHBondContact O-CB 3.42Å; L670-R674 PolarHBondContact O-N 2.92Å; L671-R674 WeakPolarHBondContact O-CB 3.32Å; L671-R674 PolarHBondContact O-N 2.78Å; S672-R674 VanDerWaalsContact C-N 3.27Å; S672-R674 PolarHBondContact O-N 2.96Å; R674-A677 PolarHBondContact O-N 3.21Å; R674-K678 WeakPolarHBondContact O-CG 3.41Å; R674-K678 PolarHBondContact O-N 2.67Å; R674-Q697 HydrophobicContact CG-CB 4.27Å; R674-L700 HydrophobicContact CB-CB 3.85Å; R674-L700 HydrophobicContact CB-CD1 4.18Å; R674-L700 HydrophobicContact CG-CB 4.2Å
675	K	87	Confident	88.2	Confident	159 Å²	159	68.9 Å²	68.9	69%	0.691	33%	0.332	S	S	*	.	H	α-helix	trans	-63.4	-42.4	176.7	-171.9	-180	178.7	-176.6	0	111.2	L671 S672 A673 T679	L671-K675 PolarHBondContact O-N 2.84Å; S672-K675 WeakPolarHBondContact O-CB 3.32Å; S672-K675 PolarHBondContact O-N 2.96Å; S672-K675 VanDerWaalsContact O-N 3.16Å; A673-K675 PolarHBondContact O-N 3Å; K675-T679 PolarHBondContact O-N 3.02Å; K675-T679 VanDerWaalsContact O-N 3.09Å; K675-T679 PolarHBondContact O-OG1 3.39Å
676	R	85.7	Confident	87.5	Confident	111 Å²	111	69.7 Å²	69.7	42%	0.419	34%	0.338	S	S	.	.	H	α-helix	trans	-61.3	-52	174.1	-67.8	-165.9	-60	-87.1	11	111.5	S672 A673 K678 T679 E680	S672-R676 PolarHBondContact O-N 3.19Å; S672-R676 PolarHBondContact OG-NH1 2.93Å; A673-R676 PolarHBondContact O-N 2.88Å; R676-K678 VanDerWaalsContact C-N 3.33Å; R676-K678 PolarHBondContact O-N 3.38Å; R676-T679 WeakPolarHBondContact O-CA 3.41Å; R676-T679 WeakPolarHBondContact O-CB 3.39Å; R676-T679 PolarHBondContact O-N 2.85Å; R676-E680 PolarHBondContact O-N 3.5Å
677	A	85.7	Confident	86.8	Confident	2 Å²	2	73.8 Å²	73.8	2%	0.017	37%	0.365	C	S	.	.	H	α-helix	trans	-56.5	-43	178.2	0	0	0	0	0	112.7	A673 R674 T679 E680 L681 R696 Q697 L700	A673-A677 WeakPolarHBondContact O-CB 3.35Å; A673-A677 PolarHBondContact O-N 3.3Å; R674-A677 PolarHBondContact O-N 3.21Å; A677-T679 VanDerWaalsContact C-N 3.29Å; A677-T679 PolarHBondContact O-N 3.34Å; A677-E680 PolarHBondContact O-N 2.93Å; A677-L681 VanDerWaalsContact O-CB 3.23Å; A677-L681 WeakPolarHBondContact O-CB 3.17Å; A677-L681 PolarHBondContact O-N 3.48Å; A677-R696 HydrophobicContact CB-CG 4.4Å; A677-Q697 HydrophobicContact CB-CB 4.15Å; A677-L700 HydrophobicContact CB-CD1 4.43Å
678	K	87.8	Confident	85.8	Confident	100 Å²	100	77 Å²	77	44%	0.435	38%	0.379	S	S	.	.	H	α-helix	trans	-65.7	-29.4	174.6	-72.5	-172.3	77	-179.7	0	113.4	R674 R676 K682 Q697	R674-K678 WeakPolarHBondContact O-CG 3.41Å; R674-K678 PolarHBondContact O-N 2.67Å; R676-K678 VanDerWaalsContact C-N 3.33Å; R676-K678 PolarHBondContact O-N 3.38Å; K678-K682 WeakPolarHBondContact O-CG 3.24Å; K678-K682 PolarHBondContact O-N 3.45Å; K678-Q697 HydrophobicContact CG-CB 3.99Å; K678-Q697 HydrophobicContact CG-CG 4.17Å
679	T	88.1	Confident	85.1	Confident	65 Å²	65	79 Å²	79	40%	0.399	39%	0.387	S	S	.	.	H	α-helix	trans	-76.7	-42.7	178.9	-56.2	0	0	0	0	110.6	K675 R676 A677 K682 K683	K675-T679 PolarHBondContact O-N 3.02Å; K675-T679 VanDerWaalsContact O-N 3.09Å; K675-T679 PolarHBondContact O-OG1 3.39Å; R676-T679 WeakPolarHBondContact O-CA 3.41Å; R676-T679 WeakPolarHBondContact O-CB 3.39Å; R676-T679 PolarHBondContact O-N 2.85Å; A677-T679 VanDerWaalsContact C-N 3.29Å; A677-T679 PolarHBondContact O-N 3.34Å; T679-K682 PolarHBondContact O-N 2.65Å; T679-K683 PolarHBondContact O-N 2.98Å
680	E	84.6	Confident	84.7	Confident	87 Å²	87	79.4 Å²	79.4	41%	0.407	39%	0.385	S	S	.	.	H	α-helix	trans	-63	-44.5	173.3	-71.5	167.1	-171.2	0	0	111.2	R676 A677 K682 K683 E684 L693	R676-E680 PolarHBondContact O-N 3.5Å; A677-E680 PolarHBondContact O-N 2.93Å; E680-K682 PolarHBondContact O-N 3.27Å; E680-K682 VanDerWaalsContact O-N 3.15Å; E680-K683 PolarHBondContact O-N 3.35Å; E680-E684 PolarHBondContact O-N 3.06Å; E680-L693 HydrophobicContact CB-CD1 4Å; E680-L693 HydrophobicContact CB-CD2 4Å; E680-L693 WeakPolarHBondContact OE2-CD2 3.45Å
681	L	86.6	Confident	84	Confident	43 Å²	43	82.4 Å²	82.4	23%	0.225	40%	0.399	C	S	.	.	H	α-helix	trans	-55.4	-34.7	177.3	179.7	62.7	0	0	0	113.1	A677 K690 L693 D694	A677-L681 VanDerWaalsContact O-CB 3.23Å; A677-L681 WeakPolarHBondContact O-CB 3.17Å; A677-L681 PolarHBondContact O-N 3.48Å; L681-K690 HydrophobicContact CD1-CB 4.04Å; L681-K690 HydrophobicContact CD1-CG 4.17Å; L681-K690 VanDerWaalsContact CD1-O 3.28Å; L681-K690 WeakPolarHBondContact CD1-O 3.39Å; L681-L693 HydrophobicContact CB-CB 4.1Å; L681-L693 HydrophobicContact CD1-CB 3.98Å; L681-D694 HydrophobicContact CD1-CB 4.3Å; L681-D694 HydrophobicContact CD2-CB 4.13Å
682	K	88	Confident	83.3	Confident	181 Å²	181	81 Å²	81	79%	0.787	39%	0.391	S	S	*	.	H	α-helix	trans	-72.8	-27.7	177.1	-74.4	178	178.8	-169.8	0	113.4	K678 T679 E680	K678-K682 WeakPolarHBondContact O-CG 3.24Å; K678-K682 PolarHBondContact O-N 3.45Å; T679-K682 PolarHBondContact O-N 2.65Å; E680-K682 PolarHBondContact O-N 3.27Å; E680-K682 VanDerWaalsContact O-N 3.15Å
683	K	90.6	Very high	83.1	Confident	167 Å²	167	78.6 Å²	78.6	73%	0.726	37%	0.374	S	S	*	.	H	α-helix	trans	-91.4	-30	-177.7	-66.8	179.9	-179.8	-177.1	0	112.6	T679 E680	T679-K683 PolarHBondContact O-N 2.98Å; E680-K683 PolarHBondContact O-N 3.35Å
684	E	86.9	Confident	82.9	Confident	48 Å²	48	80.8 Å²	80.8	22%	0.224	38%	0.384	C	S	.	.			trans	-63.2	145.2	-177.2	-173	53.1	-96.9	0	0	110.8	E680 D686 K689 K690 L693	E680-E684 PolarHBondContact O-N 3.06Å; E684-D686 WeakPolarHBondContact OE1-CB 3.49Å; E684-D686 PolarHBondContact OE1-N 3.07Å; E684-K689 HydrophobicContact CG-CB 3.68Å; E684-K689 VanDerWaalsContact OE2-CD 3.31Å; E684-K689 WeakPolarHBondContact OE2-CD 3.22Å; E684-K690 VanDerWaalsContact C-CE 3.49Å; E684-K690 HydrophobicContact CB-CG 4.06Å; E684-K690 HydrophobicContact CG-CG 3.93Å; E684-K690 WeakPolarHBondContact O-CE 3.33Å; E684-K690 PolarHBondContact O-NZ 2.95Å; E684-L693 HydrophobicContact CB-CD1 3.95Å; E684-L693 HydrophobicContact CG-CD1 4.17Å
685	T	86.5	Confident	82.3	Confident	117 Å²	117	78.7 Å²	78.7	72%	0.718	38%	0.377	S	S	*	.			trans	-113.5	-32	176.4	50.9	0	0	0	0	111.5
686	D	76.9	Confident	82.1	Confident	64 Å²	64	72.6 Å²	72.6	34%	0.342	35%	0.349	S	S	.	.			trans	-64.6	123.8	-178.4	179.2	-98.9	0	0	0	111.5	E684 F688 K689 K690	E684-D686 WeakPolarHBondContact OE1-CB 3.49Å; E684-D686 PolarHBondContact OE1-N 3.07Å; D686-F688 VanDerWaalsContact C-N 3.34Å; D686-F688 PolarHBondContact O-N 3.02Å; D686-F688 WeakPolarHBondContact OD1-CB 3.2Å; D686-F688 PolarHBondContact OD1-N 3.43Å; D686-F688 VanDerWaalsContact OD1-N 3.1Å; D686-K689 HydrophobicContact CB-CB 4.1Å; D686-K689 HydrophobicContact CB-CD 4.16Å; D686-K689 HydrophobicContact CB-CG 4.24Å; D686-K689 PolarHBondContact O-N 3.22Å; D686-K689 WeakPolarHBondContact OD1-CG 3.33Å; D686-K689 PolarHBondContact OD1-N 3.02Å; D686-K690 WeakPolarHBondContact O-CG 3.36Å; D686-K690 PolarHBondContact O-N 3.03Å
687	P	77.6	Confident	82.1	Confident	91 Å²	91	68.6 Å²	68.6	59%	0.591	34%	0.335	S	S	*	.	H	α-helix	trans	-58.5	-42	-177.8	-25.9	34.8	0	0	0	113.3	K690 Q691	P687-K690 WeakPolarHBondContact O-CB 3.48Å; P687-K690 PolarHBondContact O-N 3.21Å; P687-Q691 VanDerWaalsContact O-CG 3.3Å; P687-Q691 WeakPolarHBondContact O-CG 3.4Å; P687-Q691 PolarHBondContact O-N 3.4Å
688	F	71.1	Confident	82	Confident	68 Å²	68	71.9 Å²	71.9	30%	0.298	35%	0.352	S	S	.	.	H	α-helix	trans	-69.5	-45.2	-177.3	-176.3	-102.6	0	0	0	111.5	I314 I537 D686 K690 Q691 V692	I314-F688 HydrophobicContact CD1-CZ 4.46Å; I537-F688 HydrophobicContact CD1-CD2 4.33Å; I537-F688 HydrophobicContact CD1-CE2 3.74Å; I537-F688 HydrophobicContact CD1-CZ 4.21Å; D686-F688 VanDerWaalsContact C-N 3.34Å; D686-F688 PolarHBondContact O-N 3.02Å; D686-F688 WeakPolarHBondContact OD1-CB 3.2Å; D686-F688 PolarHBondContact OD1-N 3.43Å; D686-F688 VanDerWaalsContact OD1-N 3.1Å; F688-K690 VanDerWaalsContact C-N 3.31Å; F688-K690 PolarHBondContact O-N 3.11Å; F688-Q691 WeakPolarHBondContact O-CB 3.34Å; F688-Q691 PolarHBondContact O-N 3.29Å; F688-Q691 VanDerWaalsContact O-N 3.13Å; F688-V692 HydrophobicContact CD1-CG2 4.44Å; F688-V692 HydrophobicContact CE1-CG2 4.18Å; F688-V692 WeakPolarHBondContact O-CG2 3.47Å; F688-V692 PolarHBondContact O-N 3.15Å; F688-V692 VanDerWaalsContact O-N 3.1Å
689	K	75.3	Confident	81.7	Confident	118 Å²	118	67.2 Å²	67.2	51%	0.513	33%	0.332	S	S	.	.	H	α-helix	trans	-62.7	-36.5	174.8	-70.4	-178.5	-178.5	177.9	0	112.5	E684 D686 Q691 V692 L693	E684-K689 HydrophobicContact CG-CB 3.68Å; E684-K689 VanDerWaalsContact OE2-CD 3.31Å; E684-K689 WeakPolarHBondContact OE2-CD 3.22Å; D686-K689 HydrophobicContact CB-CB 4.1Å; D686-K689 HydrophobicContact CB-CD 4.16Å; D686-K689 HydrophobicContact CB-CG 4.24Å; D686-K689 PolarHBondContact O-N 3.22Å; D686-K689 WeakPolarHBondContact OD1-CG 3.33Å; D686-K689 PolarHBondContact OD1-N 3.02Å; K689-Q691 VanDerWaalsContact C-N 3.31Å; K689-Q691 PolarHBondContact O-N 3.38Å; K689-V692 PolarHBondContact O-N 2.97Å; K689-L693 WeakPolarHBondContact O-CG 3.35Å; K689-L693 PolarHBondContact O-N 3.05Å
690	K	80.7	Confident	81.6	Confident	84 Å²	84	64.3 Å²	64.3	37%	0.365	31%	0.314	S	S	.	.	H	α-helix	trans	-57.9	-44.2	172.2	-80.3	-179.9	178.8	172.3	0	112	L681 E684 D686 P687 F688 L693 D694	L681-K690 HydrophobicContact CD1-CB 4.04Å; L681-K690 HydrophobicContact CD1-CG 4.17Å; L681-K690 VanDerWaalsContact CD1-O 3.28Å; L681-K690 WeakPolarHBondContact CD1-O 3.39Å; E684-K690 VanDerWaalsContact C-CE 3.49Å; E684-K690 HydrophobicContact CB-CG 4.06Å; E684-K690 HydrophobicContact CG-CG 3.93Å; E684-K690 WeakPolarHBondContact O-CE 3.33Å; E684-K690 PolarHBondContact O-NZ 2.95Å; D686-K690 WeakPolarHBondContact O-CG 3.36Å; D686-K690 PolarHBondContact O-N 3.03Å; P687-K690 WeakPolarHBondContact O-CB 3.48Å; P687-K690 PolarHBondContact O-N 3.21Å; F688-K690 VanDerWaalsContact C-N 3.31Å; F688-K690 PolarHBondContact O-N 3.11Å; K690-L693 PolarHBondContact O-N 3.37Å; K690-D694 PolarHBondContact O-N 2.95Å
691	Q	73.4	Confident	81.7	Confident	73 Å²	73	64.5 Å²	64.5	34%	0.341	31%	0.314	S	S	.	.	H	α-helix	trans	-62.1	-43.8	178	-66.5	179.4	-7.6	0	0	111.5	M534 I537 P687 F688 K689 L693 D694 G695	M534-Q691 HydrophobicContact CG-CB 4.48Å; M534-Q691 HydrophobicContact CG-CG 4.4Å; M534-Q691 HydrophobicContact SD-CB 3.4Å; M534-Q691 WeakPolarHBondContact SD-CB 3.45Å; M534-Q691 HydrophobicContact SD-CG 3.27Å; M534-Q691 WeakPolarHBondContact SD-CG 3.35Å; I537-Q691 HydrophobicContact CD1-CB 4.33Å; P687-Q691 VanDerWaalsContact O-CG 3.3Å; P687-Q691 WeakPolarHBondContact O-CG 3.4Å; P687-Q691 PolarHBondContact O-N 3.4Å; F688-Q691 WeakPolarHBondContact O-CB 3.34Å; F688-Q691 PolarHBondContact O-N 3.29Å; F688-Q691 VanDerWaalsContact O-N 3.13Å; K689-Q691 VanDerWaalsContact C-N 3.31Å; K689-Q691 PolarHBondContact O-N 3.38Å; Q691-L693 PolarHBondContact O-N 3.15Å; Q691-D694 PolarHBondContact O-N 3.18Å; Q691-G695 PolarHBondContact O-N 3.24Å
692	V	74.8	Confident	81.6	Confident	8 Å²	8	65.6 Å²	65.6	5%	0.048	32%	0.319	C	S	.	.	H	α-helix	trans	-59.3	-45.9	174.6	178	0	0	0	0	111.5	Q312 I314 I537 E541 F688 K689 G695 R696	Q312-V692 HydrophobicContact CG-CG1 4.49Å; I314-V692 HydrophobicContact CD1-CG2 4.1Å; I537-V692 HydrophobicContact CD1-CG2 4.43Å; I537-V692 HydrophobicContact CG2-CB 4.18Å; I537-V692 HydrophobicContact CG2-CG2 3.84Å; E541-V692 HydrophobicContact CG-CG1 4.22Å; F688-V692 HydrophobicContact CD1-CG2 4.44Å; F688-V692 HydrophobicContact CE1-CG2 4.18Å; F688-V692 WeakPolarHBondContact O-CG2 3.47Å; F688-V692 PolarHBondContact O-N 3.15Å; F688-V692 VanDerWaalsContact O-N 3.1Å; K689-V692 PolarHBondContact O-N 2.97Å; V692-G695 PolarHBondContact O-N 2.74Å; V692-R696 WeakPolarHBondContact O-CB 3.41Å; V692-R696 PolarHBondContact O-N 3.42Å
693	L	81.7	Confident	81.5	Confident	7 Å²	7	57 Å²	57	4%	0.037	28%	0.282	C	S	.	.	H	α-helix	trans	-68.1	-36.8	-179.9	-70.9	168.2	0	0	0	113	E680 L681 E684 K689 K690 Q691 R696 Q697	E680-L693 HydrophobicContact CB-CD1 4Å; E680-L693 HydrophobicContact CB-CD2 4Å; E680-L693 WeakPolarHBondContact OE2-CD2 3.45Å; L681-L693 HydrophobicContact CB-CB 4.1Å; L681-L693 HydrophobicContact CD1-CB 3.98Å; E684-L693 HydrophobicContact CB-CD1 3.95Å; E684-L693 HydrophobicContact CG-CD1 4.17Å; K689-L693 WeakPolarHBondContact O-CG 3.35Å; K689-L693 PolarHBondContact O-N 3.05Å; K690-L693 PolarHBondContact O-N 3.37Å; Q691-L693 PolarHBondContact O-N 3.15Å; L693-R696 PolarHBondContact O-N 3.07Å; L693-Q697 PolarHBondContact O-N 3.13Å
694	D	81.9	Confident	81.3	Confident	59 Å²	59	49.1 Å²	49.1	32%	0.316	25%	0.248	S	C	.	.	H	α-helix	trans	-69.5	-42	175.2	-169.3	39.3	0	0	0	111.8	L681 K690 Q691 R696 Q697 L698	L681-D694 HydrophobicContact CD1-CB 4.3Å; L681-D694 HydrophobicContact CD2-CB 4.13Å; K690-D694 PolarHBondContact O-N 2.95Å; Q691-D694 PolarHBondContact O-N 3.18Å; D694-R696 VanDerWaalsContact C-N 3.3Å; D694-R696 PolarHBondContact O-N 2.68Å; D694-Q697 WeakPolarHBondContact O-CG 3.34Å; D694-Q697 PolarHBondContact O-N 3.2Å; D694-Q697 PolarHBondContact OD1-NE2 2.77Å; D694-L698 WeakPolarHBondContact O-CB 3.16Å; D694-L698 PolarHBondContact O-N 3.2Å
695	G	78.3	Confident	81.1	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-57.3	-43.9	171.9	0	0	0	0	0	112.4	N538 Q691 V692 L698 A699	N538-G695 WeakPolarHBondContact OD1-CA 3.33Å; Q691-G695 PolarHBondContact O-N 3.24Å; V692-G695 PolarHBondContact O-N 2.74Å; G695-L698 PolarHBondContact O-N 3.37Å; G695-A699 WeakPolarHBondContact O-CB 3.38Å; G695-A699 PolarHBondContact O-N 2.93Å
696	R	81.1	Confident	81.1	Confident	31 Å²	31	45.8 Å²	45.8	12%	0.117	23%	0.228	C	C	.	.	H	α-helix	trans	-61.1	-47.5	175.6	-170.7	174.2	178.3	146.5	-0.8	112.6	A307 E308 E541 V545 A677 V692 L693 D694 L698 A699 L700	A307-R696 PolarHBondContact O-NH1 3.22Å; E308-R696 IonicContact OE1-NH2 3.47Å; E541-R696 HydrophobicContact CB-CB 4.25Å; E541-R696 HydrophobicContact CG-CB 4.1Å; E541-R696 WeakPolarHBondContact OE2-CB 3.47Å; E541-R696 WeakPolarHBondContact OE2-CD 3.14Å; E541-R696 WeakPolarHBondContact OE2-CG 2.99Å; V545-R696 HydrophobicContact CG2-CG 4.44Å; A677-R696 HydrophobicContact CB-CG 4.4Å; V692-R696 WeakPolarHBondContact O-CB 3.41Å; V692-R696 PolarHBondContact O-N 3.42Å; L693-R696 PolarHBondContact O-N 3.07Å; D694-R696 VanDerWaalsContact C-N 3.3Å; D694-R696 PolarHBondContact O-N 2.68Å; R696-L698 VanDerWaalsContact C-N 3.32Å; R696-L698 PolarHBondContact O-N 3.41Å; R696-A699 PolarHBondContact O-N 2.93Å; R696-L700 HydrophobicContact CG-CD1 3.92Å; R696-L700 WeakPolarHBondContact O-CD1 3.34Å; R696-L700 VanDerWaalsContact O-CG 3.28Å; R696-L700 WeakPolarHBondContact O-CG 3.47Å; R696-L700 PolarHBondContact O-N 2.74Å
697	Q	87.3	Confident	81.6	Confident	26 Å²	26	42.7 Å²	42.7	12%	0.121	21%	0.212	C	C	.	.	H	α-helix	trans	-66.3	-35.4	-179.4	78	73.5	30.3	0	0	112.5	R674 A677 K678 L693 D694 K701	R674-Q697 HydrophobicContact CG-CB 4.27Å; A677-Q697 HydrophobicContact CB-CB 4.15Å; K678-Q697 HydrophobicContact CG-CB 3.99Å; K678-Q697 HydrophobicContact CG-CG 4.17Å; L693-Q697 PolarHBondContact O-N 3.13Å; D694-Q697 WeakPolarHBondContact O-CG 3.34Å; D694-Q697 PolarHBondContact O-N 3.2Å; D694-Q697 PolarHBondContact OD1-NE2 2.77Å; Q697-K701 PolarHBondContact O-N 3.39Å; Q697-K701 VanDerWaalsContact O-N 3.08Å
698	L	83.5	Confident	82.2	Confident	71 Å²	71	39.8 Å²	39.8	37%	0.372	19%	0.189	S	C	.	.	H	α-helix	trans	-66.8	-44.2	175.7	-179.7	60.5	0	0	0	110.9	D694 G695 R696 L700 K701 I702	D694-L698 WeakPolarHBondContact O-CB 3.16Å; D694-L698 PolarHBondContact O-N 3.2Å; G695-L698 PolarHBondContact O-N 3.37Å; R696-L698 VanDerWaalsContact C-N 3.32Å; R696-L698 PolarHBondContact O-N 3.41Å; L698-L700 PolarHBondContact O-N 3.14Å; L698-K701 WeakPolarHBondContact O-CB 3.25Å; L698-K701 PolarHBondContact O-N 3.08Å; L698-I702 HydrophobicContact CD1-CD1 4.07Å; L698-I702 HydrophobicContact CD1-CG1 4.35Å; L698-I702 HydrophobicContact CG-CD1 3.96Å; L698-I702 WeakPolarHBondContact O-CG1 3.39Å; L698-I702 PolarHBondContact O-N 2.85Å
699	A	80.7	Confident	82.9	Confident	2 Å²	2	38.5 Å²	38.5	2%	0.017	20%	0.195	C	C	.	.	H	α-helix	trans	-58.1	-48	176.8	0	0	0	0	0	111.9	M542 G695 R696 K701 I702 S703	M542-A699 HydrophobicContact CB-CB 4.09Å; M542-A699 VanDerWaalsContact CE-CA 3.47Å; M542-A699 HydrophobicContact CE-CB 3.68Å; M542-A699 HydrophobicContact SD-CB 4.1Å; G695-A699 WeakPolarHBondContact O-CB 3.38Å; G695-A699 PolarHBondContact O-N 2.93Å; R696-A699 PolarHBondContact O-N 2.93Å; A699-K701 VanDerWaalsContact C-N 3.31Å; A699-K701 PolarHBondContact O-N 3.2Å; A699-I702 PolarHBondContact O-N 2.78Å; A699-S703 PolarHBondContact O-N 3.02Å; A699-S703 PolarHBondContact O-OG 3.49Å
700	L	86.4	Confident	83.7	Confident	5 Å²	5	33.1 Å²	33.1	3%	0.026	17%	0.172	C	C	.	.	H	α-helix	trans	-59.8	-39.8	177.1	-70.2	159.4	0	0	0	112.4	V545 L670 A673 R674 A677 R696 L698 A704	V545-L700 HydrophobicContact CB-CD2 4.32Å; V545-L700 HydrophobicContact CG1-CD2 3.44Å; V545-L700 VanDerWaalsContact CG1-CD2 3.44Å; V545-L700 HydrophobicContact CG1-CG 4.04Å; V545-L700 HydrophobicContact CG2-CD2 3.84Å; V545-L700 HydrophobicContact CG2-CG 3.92Å; L670-L700 HydrophobicContact CD2-CD2 3.73Å; A673-L700 HydrophobicContact CB-CD1 3.99Å; A673-L700 HydrophobicContact CB-CD2 3.86Å; R674-L700 HydrophobicContact CB-CB 3.85Å; R674-L700 HydrophobicContact CB-CD1 4.18Å; R674-L700 HydrophobicContact CG-CB 4.2Å; A677-L700 HydrophobicContact CB-CD1 4.43Å; R696-L700 HydrophobicContact CG-CD1 3.92Å; R696-L700 WeakPolarHBondContact O-CD1 3.34Å; R696-L700 VanDerWaalsContact O-CG 3.28Å; R696-L700 WeakPolarHBondContact O-CG 3.47Å; R696-L700 PolarHBondContact O-N 2.74Å; L698-L700 PolarHBondContact O-N 3.14Å; L700-A704 WeakPolarHBondContact O-CB 3.2Å; L700-A704 PolarHBondContact O-N 3.26Å
701	K	87.3	Confident	84.1	Confident	90 Å²	90	29.1 Å²	29.1	39%	0.391	16%	0.155	S	C	.	.	H	α-helix	trans	-61.9	-48.5	175.6	-175.2	-172.1	177.6	-179.4	0	111.7	Q697 L698 A699 A704 N705	Q697-K701 PolarHBondContact O-N 3.39Å; Q697-K701 VanDerWaalsContact O-N 3.08Å; L698-K701 WeakPolarHBondContact O-CB 3.25Å; L698-K701 PolarHBondContact O-N 3.08Å; A699-K701 VanDerWaalsContact C-N 3.31Å; A699-K701 PolarHBondContact O-N 3.2Å; K701-A704 PolarHBondContact O-N 3.1Å; K701-N705 PolarHBondContact O-N 2.94Å
702	I	83.9	Confident	84.8	Confident	66 Å²	66	26.3 Å²	26.3	34%	0.338	15%	0.145	S	C	.	.	H	α-helix	trans	-64.3	-45.2	-177.7	-67.9	168.3	0	0	0	110	M542 L698 A699 A704 N705 S706	M542-I702 HydrophobicContact CE-CB 4.08Å; M542-I702 HydrophobicContact CE-CD1 4.2Å; M542-I702 HydrophobicContact CE-CG2 4.13Å; L698-I702 HydrophobicContact CD1-CD1 4.07Å; L698-I702 HydrophobicContact CD1-CG1 4.35Å; L698-I702 HydrophobicContact CG-CD1 3.96Å; L698-I702 WeakPolarHBondContact O-CG1 3.39Å; L698-I702 PolarHBondContact O-N 2.85Å; A699-I702 PolarHBondContact O-N 2.78Å; I702-A704 PolarHBondContact O-N 3.06Å; I702-N705 PolarHBondContact O-N 2.75Å; I702-S706 PolarHBondContact O-N 3.42Å
703	S	84.9	Confident	85.3	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.7	-45.8	178.2	-64.9	0	0	0	0	111.8	T546 A699 N705 S706 V707	T546-S703 WeakPolarHBondContact CG2-OG 3.31Å; A699-S703 PolarHBondContact O-N 3.02Å; A699-S703 PolarHBondContact O-OG 3.49Å; S703-N705 VanDerWaalsContact C-N 3.33Å; S703-N705 PolarHBondContact O-N 3.4Å; S703-S706 WeakPolarHBondContact CA-OG 3.41Å; S703-S706 PolarHBondContact O-N 3.43Å; S703-S706 VanDerWaalsContact O-N 3.07Å; S703-S706 PolarHBondContact O-OG 3Å; S703-V707 PolarHBondContact O-N 3.02Å
704	A	87.2	Confident	85.3	Confident	2 Å²	2	29.2 Å²	29.2	2%	0.017	16%	0.162	C	C	.	.	H	α-helix	trans	-59	-43	178.1	0	0	0	0	0	112.3	L667 L670 L671 L700 K701 I702 S706 V707	L667-A704 HydrophobicContact CD2-CB 4.27Å; L670-A704 HydrophobicContact CB-CB 4.41Å; L670-A704 HydrophobicContact CD1-CB 4.39Å; L671-A704 HydrophobicContact CD2-CB 4.42Å; L700-A704 WeakPolarHBondContact O-CB 3.2Å; L700-A704 PolarHBondContact O-N 3.26Å; K701-A704 PolarHBondContact O-N 3.1Å; I702-A704 PolarHBondContact O-N 3.06Å; A704-S706 VanDerWaalsContact C-N 3.31Å; A704-S706 PolarHBondContact O-N 3.39Å; A704-V707 PolarHBondContact O-N 2.93Å
705	N	83.4	Confident	85.3	Confident	78 Å²	78	32.1 Å²	32.1	42%	0.417	18%	0.182	S	C	.	.	H	α-helix	trans	-68	-30.1	177.2	-72	-8.9	0	0	0	112.9	K701 I702 S703 V707	K701-N705 PolarHBondContact O-N 2.94Å; I702-N705 PolarHBondContact O-N 2.75Å; S703-N705 VanDerWaalsContact C-N 3.33Å; S703-N705 PolarHBondContact O-N 3.4Å; N705-V707 VanDerWaalsContact C-N 3.34Å
706	S	85.6	Confident	85.4	Confident	17 Å²	17	32.9 Å²	32.9	12%	0.119	19%	0.189	C	C	.	.	H	α-helix	trans	-72.8	-22.4	179.1	68.4	0	0	0	0	114.5	I702 S703 A704 Y708 G709 F710	I702-S706 PolarHBondContact O-N 3.42Å; S703-S706 WeakPolarHBondContact CA-OG 3.41Å; S703-S706 PolarHBondContact O-N 3.43Å; S703-S706 VanDerWaalsContact O-N 3.07Å; S703-S706 PolarHBondContact O-OG 3Å; A704-S706 VanDerWaalsContact C-N 3.31Å; A704-S706 PolarHBondContact O-N 3.39Å; S706-Y708 PolarHBondContact O-N 3.38Å; S706-G709 PolarHBondContact O-N 2.95Å; S706-F710 PolarHBondContact O-N 2.84Å
707	V	88.5	Confident	85.6	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.8	-45.3	-179.7	174.1	0	0	0	0	111.2	V562 M618 L663 I666 L667 L670 S703 A704 N705 F710	V562-V707 HydrophobicContact CG1-CG2 4.45Å; V562-V707 HydrophobicContact CG2-CG2 4.45Å; M618-V707 HydrophobicContact CE-CG1 4.3Å; L663-V707 HydrophobicContact CD2-CG1 4.07Å; I666-V707 HydrophobicContact CG2-CG2 4.39Å; L667-V707 HydrophobicContact CD2-CB 3.93Å; L667-V707 HydrophobicContact CD2-CG1 4.18Å; L667-V707 HydrophobicContact CD2-CG2 3.98Å; L667-V707 HydrophobicContact CG-CG1 4.34Å; L670-V707 HydrophobicContact CD1-CG2 4.41Å; S703-V707 PolarHBondContact O-N 3.02Å; A704-V707 PolarHBondContact O-N 2.93Å; N705-V707 VanDerWaalsContact C-N 3.34Å; V707-F710 WeakPolarHBondContact O-CB 3.49Å; V707-F710 PolarHBondContact O-N 2.98Å
708	Y	88.6	Confident	85.6	Confident	29 Å²	29	32.4 Å²	32.4	11%	0.114	19%	0.188	C	C	.	.	H	α-helix	trans	-62.6	-45.3	174.7	161.9	-99.1	0	0	0	112	Y588 Y614 S706 F710 T711 V727 T728	Y588-Y708 PolarHBondContact OH-OH 3.13Å; Y614-Y708 AromaticContact CD2-CD1 3.52Å; Y614-Y708 HydrophobicContact CD2-CD1 3.52Å; Y614-Y708 HydrophobicContact CD2-CD2 4.3Å; Y614-Y708 AromaticContact CD2-CE1 3.61Å; Y614-Y708 HydrophobicContact CD2-CE1 3.61Å; Y614-Y708 HydrophobicContact CD2-CE2 4.35Å; Y614-Y708 AromaticContact CD2-CG 3.89Å; Y614-Y708 HydrophobicContact CD2-CG 3.89Å; Y614-Y708 HydrophobicContact CE2-CD1 4.06Å; Y614-Y708 AromaticContact CE2-CE1 3.66Å; Y614-Y708 HydrophobicContact CE2-CE1 3.66Å; Y614-Y708 AromaticContact CE2-CZ 3.99Å; Y614-Y708 HydrophobicContact CG-CD1 4.36Å; Y614-Y708 HydrophobicContact CG-CD2 4.42Å; Y614-Y708 HydrophobicContact CG-CG 4.29Å; S706-Y708 PolarHBondContact O-N 3.38Å; Y708-F710 PolarHBondContact O-N 3.33Å; Y708-T711 PolarHBondContact O-N 3.43Å; Y708-T711 PolarHBondContact O-OG1 3.24Å; Y708-V727 HydrophobicContact CD2-CB 4.15Å; Y708-V727 HydrophobicContact CD2-CG1 3.78Å; Y708-V727 HydrophobicContact CD2-CG2 4.36Å; Y708-V727 HydrophobicContact CE2-CB 3.88Å; Y708-V727 HydrophobicContact CE2-CG1 3.67Å; Y708-T728 VanDerWaalsContact OH-CG2 3.29Å; Y708-T728 WeakPolarHBondContact OH-CG2 3.49Å
709	G	87.3	Confident	85.9	Confident	41 Å²	41	29.9 Å²	29.9	42%	0.423	18%	0.176	S	C	.	.	H	α-helix	trans	-62.5	-26.7	-179.7	0	0	0	0	0	113.1	S706 A713	S706-G709 PolarHBondContact O-N 2.95Å; G709-A713 PolarHBondContact O-N 2.94Å
710	F	90.6	Very high	86.4	Confident	6 Å²	6	29.9 Å²	29.9	3%	0.026	18%	0.175	C	C	.	.	H	α-helix	trans	-67.8	-41	176.3	176.8	-101.3	0	0	0	112.6	Q559 V562 V563 Y625 S706 V707 Y708 G712 A713 L718	Q559-F710 HydrophobicContact CB-CD2 4.2Å; Q559-F710 HydrophobicContact CB-CE2 4.32Å; Q559-F710 HydrophobicContact CG-CD2 4.15Å; V562-F710 HydrophobicContact CB-CB 4.2Å; V562-F710 HydrophobicContact CB-CD1 4.47Å; V562-F710 HydrophobicContact CB-CD2 4.17Å; V562-F710 HydrophobicContact CB-CG 4.03Å; V562-F710 HydrophobicContact CG1-CB 3.91Å; V562-F710 HydrophobicContact CG1-CD1 3.7Å; V562-F710 HydrophobicContact CG1-CD2 4.28Å; V562-F710 HydrophobicContact CG1-CE1 4.27Å; V562-F710 HydrophobicContact CG1-CG 3.69Å; V562-F710 HydrophobicContact CG2-CB 4.2Å; V563-F710 HydrophobicContact CG2-CE2 3.63Å; V563-F710 HydrophobicContact CG2-CZ 3.73Å; Y625-F710 WeakPolarHBondContact OH-CD1 3.39Å; Y625-F710 WeakPolarHBondContact OH-CE1 3.43Å; S706-F710 PolarHBondContact O-N 2.84Å; V707-F710 WeakPolarHBondContact O-CB 3.49Å; V707-F710 PolarHBondContact O-N 2.98Å; Y708-F710 PolarHBondContact O-N 3.33Å; F710-G712 VanDerWaalsContact C-N 3.31Å; F710-G712 PolarHBondContact O-N 2.76Å; F710-A713 PolarHBondContact O-N 3.47Å; F710-L718 HydrophobicContact CE1-CB 3.99Å; F710-L718 HydrophobicContact CZ-CB 3.83Å
711	T	90.6	Very high	86.6	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67.1	-34.4	-179.3	67.1	0	0	0	0	111.8	Y625 L663 Y708 C720 I723 S724	Y625-T711 HydrophobicContact CE2-CG2 4.14Å; L663-T711 HydrophobicContact CD1-CG2 3.84Å; Y708-T711 PolarHBondContact O-N 3.43Å; Y708-T711 PolarHBondContact O-OG1 3.24Å; T711-C720 CarbonylContact O-C 3.58Å; T711-C720 PolarHBondContact O-N 3.35Å; T711-I723 HydrophobicContact CG2-CD1 4.46Å; T711-I723 HydrophobicContact CG2-CG2 4.19Å; T711-S724 PolarHBondContact OG1-OG 2.94Å
712	G	87.4	Confident	86.8	Confident	14 Å²	14	29.8 Å²	29.8	14%	0.144	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-2.5	-178	0	0	0	0	0	115.2	F710 Q714 S724	F710-G712 VanDerWaalsContact C-N 3.31Å; F710-G712 PolarHBondContact O-N 2.76Å; G712-Q714 PolarHBondContact O-N 3.26Å; G712-Q714 VanDerWaalsContact O-N 3.12Å; G712-S724 WeakPolarHBondContact CA-OG 3.34Å; G712-S724 PolarHBondContact N-OG 3.42Å
713	A	85.8	Confident	87.3	Confident	24 Å²	24	26.7 Å²	26.7	20%	0.198	16%	0.161	C	C	.	.			trans	-81.5	90.1	-176.6	0	0	0	0	0	111.4	G709 F710 V715 G716	G709-A713 PolarHBondContact O-N 2.94Å; F710-A713 PolarHBondContact O-N 3.47Å; A713-V715 CarbonylContact O-C 3.48Å; A713-V715 PolarHBondContact O-N 3.15Å; A713-V715 VanDerWaalsContact O-N 3.15Å; A713-G716 PolarHBondContact O-N 2.84Å
714	Q	81.5	Confident	87.6	Confident	52 Å²	52	26.7 Å²	26.7	24%	0.243	16%	0.161	C	C	.	.	S	Bend	trans	-50.3	-38.9	178.9	-66.8	174.1	-18.9	0	0	113.8	T582 G585 E586 G712 L721	T582-Q714 WeakPolarHBondContact CB-O 3.42Å; T582-Q714 VanDerWaalsContact CG2-O 3.32Å; T582-Q714 WeakPolarHBondContact CG2-O 3.42Å; G585-Q714 PolarHBondContact O-NE2 3.07Å; G585-Q714 VanDerWaalsContact O-NE2 3.14Å; G585-Q714 PolarHBondContact O-OE1 3.15Å; E586-Q714 VanDerWaalsContact C-NE2 3.3Å; E586-Q714 PolarHBondContact O-NE2 3.46Å; G712-Q714 PolarHBondContact O-N 3.26Å; G712-Q714 VanDerWaalsContact O-N 3.12Å; Q714-L721 HydrophobicContact CG-CD1 4.3Å; Q714-L721 HydrophobicContact CG-CD2 3.88Å
715	V	80.9	Confident	87.9	Confident	120 Å²	120	29.5 Å²	29.5	73%	0.727	17%	0.174	S	C	*	.	S	Bend	trans	-97	89.8	170.2	-174	0	0	0	0	107.8	Q559 A713	Q559-V715 PolarHBondContact NE2-O 3.41Å; Q559-V715 VanDerWaalsContact NE2-O 3.14Å; A713-V715 CarbonylContact O-C 3.48Å; A713-V715 PolarHBondContact O-N 3.15Å; A713-V715 VanDerWaalsContact O-N 3.15Å
716	G	81.4	Confident	88.5	Confident	16 Å²	16	25.8 Å²	25.8	17%	0.165	16%	0.155	C	C	.	.	S	Bend	trans	-165.7	178.9	-174.7	0	0	0	0	0	113	T582 A713	T582-G716 VanDerWaalsContact CG2-O 3.28Å; T582-G716 WeakPolarHBondContact CG2-O 3.49Å; A713-G716 PolarHBondContact O-N 2.84Å
717	K	84.2	Confident	88.9	Confident	46 Å²	46	25 Å²	25	20%	0.2	15%	0.149	C	C	.	.	S	Bend	trans	-74.3	-28.1	-177.7	-70.2	-154.8	178.8	-168	0	114.2	N243 V563	N243-K717 PolarHBondContact O-NZ 3.44Å; V563-K717 HydrophobicContact CG1-CD 4.48Å; V563-K717 HydrophobicContact CG2-CB 4.25Å; V563-K717 HydrophobicContact CG2-CD 4.1Å
718	L	88.4	Confident	89.1	Confident	1 Å²	1	25 Å²	25	1%	0.005	15%	0.149	C	C	.	.	S	Bend	trans	-154.9	66.7	-175.8	-166.3	70.2	0	0	0	112	I194 Y195 L566 M577 P578 V580 Y625 F710	I194-L718 HydrophobicContact CG2-CD2 4.46Å; Y195-L718 HydrophobicContact CD2-CD1 4.15Å; L566-L718 HydrophobicContact CD2-CD2 3.85Å; M577-L718 HydrophobicContact CG-CD1 4.41Å; M577-L718 HydrophobicContact CG-CD2 4.07Å; M577-L718 HydrophobicContact SD-CD2 4.15Å; P578-L718 HydrophobicContact CG-CD1 4.1Å; V580-L718 HydrophobicContact CG2-CD1 3.75Å; Y625-L718 HydrophobicContact CD1-CD2 4.15Å; Y625-L718 HydrophobicContact CD1-CG 4.3Å; Y625-L718 HydrophobicContact CD2-CD2 4.27Å; Y625-L718 HydrophobicContact CE1-CD2 3.84Å; Y625-L718 HydrophobicContact CE1-CG 3.75Å; Y625-L718 WeakPolarHBondContact CE1-O 3.3Å; Y625-L718 HydrophobicContact CE2-CD2 4.02Å; Y625-L718 HydrophobicContact CG-CD2 4.34Å; Y625-L718 PolarHBondContact OH-O 3.44Å; F710-L718 HydrophobicContact CE1-CB 3.99Å; F710-L718 HydrophobicContact CZ-CB 3.83Å
719	P	89.4	Confident	89.4	Confident	19 Å²	19	23.8 Å²	23.8	12%	0.123	15%	0.145	C	C	.	.			trans	-66.3	144.2	176.6	27	-32.4	0	0	0	111.9	T582	T582-P719 HydrophobicContact CG2-CG 3.61Å
720	C	90.4	Very high	89.8	Confident	1 Å²	1	22.6 Å²	22.6	1%	0.007	13%	0.128	C	C	.	.			trans	-147.8	97	167.1	178	0	0	0	0	108.1	Y195 Y625 T711 E722 I723	Y195-C720 HydrophobicContact CE2-CB 4.15Å; Y625-C720 HydrophobicContact CD1-CB 3.69Å; Y625-C720 HydrophobicContact CE1-CB 3.32Å; T711-C720 CarbonylContact O-C 3.58Å; T711-C720 PolarHBondContact O-N 3.35Å; C720-E722 VanDerWaalsContact C-N 3.28Å; C720-E722 PolarHBondContact O-N 2.96Å; C720-E722 PolarHBondContact SG-OE2 2.74Å; C720-I723 HydrophobicContact CB-CD1 4.05Å; C720-I723 HydrophobicContact CB-CG1 4.47Å; C720-I723 PolarHBondContact O-N 3.28Å
721	L	90.9	Very high	89.9	Confident	38 Å²	38	22.7 Å²	22.7	20%	0.199	13%	0.131	C	C	.	.	H	α-helix	trans	-70.3	-29.1	-174.3	-64.6	179.5	0	0	0	111.7	Y588 Q714 I723 S724 Q725	Y588-L721 HydrophobicContact CD1-CD2 4.15Å; Y588-L721 HydrophobicContact CE1-CD2 4.31Å; Q714-L721 HydrophobicContact CG-CD1 4.3Å; Q714-L721 HydrophobicContact CG-CD2 3.88Å; L721-I723 VanDerWaalsContact C-N 3.27Å; L721-I723 PolarHBondContact O-N 3.12Å; L721-S724 PolarHBondContact O-N 2.89Å; L721-S724 VanDerWaalsContact O-N 3.11Å; L721-Q725 VanDerWaalsContact O-CB 3.28Å; L721-Q725 WeakPolarHBondContact O-CB 3.35Å; L721-Q725 VanDerWaalsContact O-CG 3.26Å; L721-Q725 WeakPolarHBondContact O-CG 3.43Å; L721-Q725 PolarHBondContact O-N 2.91Å
722	E	92.1	Very high	90	Very high	56 Å²	56	25.5 Å²	25.5	26%	0.262	14%	0.141	S	C	.	.	H	α-helix	trans	-57.7	-41	178.6	-57.4	90.7	152.1	0	0	111	L628 C720 S726	L628-E722 HydrophobicContact CD1-CB 4.24Å; L628-E722 HydrophobicContact CD2-CB 4.42Å; C720-E722 VanDerWaalsContact C-N 3.28Å; C720-E722 PolarHBondContact O-N 2.96Å; C720-E722 PolarHBondContact SG-OE2 2.74Å; E722-S726 WeakPolarHBondContact O-CB 3.1Å; E722-S726 PolarHBondContact O-N 3.31Å; E722-S726 PolarHBondContact O-OG 3.23Å
723	I	93.9	Very high	90.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65.6	-49.6	174.8	-66.4	168.5	0	0	0	110.2	M618 L623 Y625 F653 L663 T711 C720 L721 Q725 S726 V727	M618-I723 HydrophobicContact CE-CG2 4.22Å; L623-I723 HydrophobicContact CB-CG2 4.5Å; Y625-I723 HydrophobicContact CD1-CD1 4.2Å; Y625-I723 HydrophobicContact CE1-CD1 4.46Å; Y625-I723 HydrophobicContact CG-CD1 4.24Å; F653-I723 HydrophobicContact CE1-CG1 3.97Å; F653-I723 HydrophobicContact CZ-CG1 3.97Å; L663-I723 HydrophobicContact CD1-CD1 4.41Å; T711-I723 HydrophobicContact CG2-CD1 4.46Å; T711-I723 HydrophobicContact CG2-CG2 4.19Å; C720-I723 HydrophobicContact CB-CD1 4.05Å; C720-I723 HydrophobicContact CB-CG1 4.47Å; C720-I723 PolarHBondContact O-N 3.28Å; L721-I723 VanDerWaalsContact C-N 3.27Å; L721-I723 PolarHBondContact O-N 3.12Å; I723-Q725 PolarHBondContact O-N 3.18Å; I723-S726 PolarHBondContact O-N 3.48Å; I723-V727 HydrophobicContact CG2-CG2 4.32Å; I723-V727 VanDerWaalsContact O-CG2 3.28Å; I723-V727 WeakPolarHBondContact O-CG2 3.24Å; I723-V727 PolarHBondContact O-N 2.78Å
724	S	92.7	Very high	90.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.7	-41	-177.1	-68.4	0	0	0	0	112.7	T711 G712 L721 V727 T728	T711-S724 PolarHBondContact OG1-OG 2.94Å; G712-S724 WeakPolarHBondContact CA-OG 3.34Å; G712-S724 PolarHBondContact N-OG 3.42Å; L721-S724 PolarHBondContact O-N 2.89Å; L721-S724 VanDerWaalsContact O-N 3.11Å; S724-V727 PolarHBondContact O-N 3.36Å; S724-T728 WeakPolarHBondContact O-CG2 3.37Å; S724-T728 PolarHBondContact O-N 2.92Å; S724-T728 PolarHBondContact O-OG1 2.69Å
725	Q	93.1	Very high	91.2	Very high	62 Å²	62	27.1 Å²	27.1	29%	0.29	14%	0.141	S	C	.	.	H	α-helix	trans	-62.8	-43.2	174.2	-75.9	174.3	-10.9	0	0	111.8	Y588 T649 L721 I723 T728 G729	Y588-Q725 HydrophobicContact CD2-CG 3.92Å; Y588-Q725 HydrophobicContact CG-CG 3.9Å; T649-Q725 HydrophobicContact CG2-CB 4.11Å; T649-Q725 WeakPolarHBondContact CG2-O 3.27Å; L721-Q725 VanDerWaalsContact O-CB 3.28Å; L721-Q725 WeakPolarHBondContact O-CB 3.35Å; L721-Q725 VanDerWaalsContact O-CG 3.26Å; L721-Q725 WeakPolarHBondContact O-CG 3.43Å; L721-Q725 PolarHBondContact O-N 2.91Å; I723-Q725 PolarHBondContact O-N 3.18Å; Q725-T728 PolarHBondContact O-N 3.36Å; Q725-T728 PolarHBondContact O-OG1 3Å; Q725-T728 VanDerWaalsContact O-OG1 3.1Å; Q725-G729 PolarHBondContact O-N 2.94Å
726	S	94.9	Very high	91.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.5	-43.4	176.4	-69.3	0	0	0	0	111.9	T647 T649 D651 E722 I723 G729 F730	T647-S726 WeakPolarHBondContact CB-OG 3.38Å; T647-S726 WeakPolarHBondContact CG2-OG 3.25Å; T647-S726 PolarHBondContact OG1-OG 2.98Å; T649-S726 PolarHBondContact OG1-OG 2.88Å; D651-S726 PolarHBondContact OD2-OG 3.22Å; E722-S726 WeakPolarHBondContact O-CB 3.1Å; E722-S726 PolarHBondContact O-N 3.31Å; E722-S726 PolarHBondContact O-OG 3.23Å; I723-S726 PolarHBondContact O-N 3.48Å; S726-G729 PolarHBondContact O-N 3.49Å; S726-F730 WeakPolarHBondContact O-CD2 3.37Å; S726-F730 PolarHBondContact O-N 2.88Å
727	V	94.5	Very high	92.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62	-46.6	177.3	170.2	0	0	0	0	111.1	Y614 I617 M618 L623 Y708 I723 S724 G729 F730 G731	Y614-V727 HydrophobicContact CD1-CG1 3.5Å; Y614-V727 VanDerWaalsContact CD1-CG1 3.5Å; Y614-V727 HydrophobicContact CE1-CG1 4.18Å; Y614-V727 HydrophobicContact CG-CG1 3.78Å; I617-V727 HydrophobicContact CG2-CB 4.47Å; I617-V727 HydrophobicContact CG2-CG1 4.34Å; I617-V727 HydrophobicContact CG2-CG2 4.28Å; M618-V727 HydrophobicContact CG-CG2 3.58Å; M618-V727 HydrophobicContact SD-CG2 4.4Å; L623-V727 HydrophobicContact CD1-CG2 3.65Å; Y708-V727 HydrophobicContact CD2-CB 4.15Å; Y708-V727 HydrophobicContact CD2-CG1 3.78Å; Y708-V727 HydrophobicContact CD2-CG2 4.36Å; Y708-V727 HydrophobicContact CE2-CB 3.88Å; Y708-V727 HydrophobicContact CE2-CG1 3.67Å; I723-V727 HydrophobicContact CG2-CG2 4.32Å; I723-V727 VanDerWaalsContact O-CG2 3.28Å; I723-V727 WeakPolarHBondContact O-CG2 3.24Å; I723-V727 PolarHBondContact O-N 2.78Å; S724-V727 PolarHBondContact O-N 3.36Å; V727-G729 VanDerWaalsContact C-N 3.33Å; V727-F730 PolarHBondContact O-N 3.45Å; V727-G731 PolarHBondContact O-N 2.56Å
728	T	93.3	Very high	93	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-67.9	-35.2	176.7	61.6	0	0	0	0	111.7	Y588 T589 Y708 S724 Q725 G731 R732	Y588-T728 HydrophobicContact CE2-CG2 4.09Å; T589-T728 PolarHBondContact O-OG1 3.49Å; Y708-T728 VanDerWaalsContact OH-CG2 3.29Å; Y708-T728 WeakPolarHBondContact OH-CG2 3.49Å; S724-T728 WeakPolarHBondContact O-CG2 3.37Å; S724-T728 PolarHBondContact O-N 2.92Å; S724-T728 PolarHBondContact O-OG1 2.69Å; Q725-T728 PolarHBondContact O-N 3.36Å; Q725-T728 PolarHBondContact O-OG1 3Å; Q725-T728 VanDerWaalsContact O-OG1 3.1Å; T728-G731 PolarHBondContact O-N 3.07Å; T728-R732 WeakPolarHBondContact O-CG 3.12Å; T728-R732 PolarHBondContact O-N 2.95Å; T728-R732 PolarHBondContact OG1-NH1 2.96Å
729	G	94.4	Very high	93.3	Very high	3 Å²	3	28.9 Å²	28.9	3%	0.031	14%	0.136	C	C	.	.	H	α-helix	trans	-56.6	-51.4	172.4	0	0	0	0	0	112.8	Q725 S726 V727 R732 Q733	Q725-G729 PolarHBondContact O-N 2.94Å; S726-G729 PolarHBondContact O-N 3.49Å; V727-G729 VanDerWaalsContact C-N 3.33Å; G729-R732 PolarHBondContact O-N 3.28Å; G729-Q733 PolarHBondContact O-N 2.91Å; G729-Q733 VanDerWaalsContact O-N 3.1Å
730	F	94.9	Very high	93.5	Very high	16 Å²	16	33.2 Å²	33.2	7%	0.07	15%	0.154	C	C	.	.	H	α-helix	trans	-62.1	-43.1	174.5	-77.7	-60.6	0	0	0	111.8	I617 H621 L623 I645 T647 P648 S726 V727 R732 Q733 M734	I617-F730 HydrophobicContact CD1-CB 4.19Å; I617-F730 HydrophobicContact CG2-CB 3.75Å; I617-F730 HydrophobicContact CG2-CD2 4Å; I617-F730 HydrophobicContact CG2-CG 4.2Å; H621-F730 HydrophobicContact CB-CE2 4.18Å; H621-F730 HydrophobicContact CB-CZ 4.46Å; H621-F730 AromaticContact CE1-CE1 3.97Å; H621-F730 AromaticContact ND1-CZ 3.98Å; L623-F730 HydrophobicContact CD1-CD2 4.26Å; L623-F730 HydrophobicContact CD1-CE2 4.34Å; I645-F730 HydrophobicContact CD1-CZ 4.4Å; T647-F730 HydrophobicContact CG2-CE2 3.83Å; T647-F730 HydrophobicContact CG2-CZ 4.2Å; P648-F730 HydrophobicContact CG-CD1 3.88Å; P648-F730 HydrophobicContact CG-CE1 4.04Å; P648-F730 HydrophobicContact CG-CG 4.29Å; S726-F730 WeakPolarHBondContact O-CD2 3.37Å; S726-F730 PolarHBondContact O-N 2.88Å; V727-F730 PolarHBondContact O-N 3.45Å; F730-R732 VanDerWaalsContact C-N 3.31Å; F730-R732 PolarHBondContact O-N 3.43Å; F730-Q733 PolarHBondContact O-N 3.04Å; F730-Q733 VanDerWaalsContact O-N 3.15Å; F730-M734 WeakPolarHBondContact O-CB 3.44Å; F730-M734 WeakPolarHBondContact O-CG 3.5Å; F730-M734 PolarHBondContact O-N 3.23Å
731	G	93.3	Very high	93.8	Very high	7 Å²	7	34.3 Å²	34.3	7%	0.072	16%	0.16	C	C	.	.	H	α-helix	trans	-55.7	-44.1	176.5	0	0	0	0	0	112.8	V727 T728 M734 I735	V727-G731 PolarHBondContact O-N 2.56Å; T728-G731 PolarHBondContact O-N 3.07Å; G731-M734 PolarHBondContact O-N 3.47Å; G731-I735 WeakPolarHBondContact O-CG2 3.28Å; G731-I735 PolarHBondContact O-N 3.25Å; G731-I735 VanDerWaalsContact O-N 3.08Å
732	R	92.8	Very high	94	Very high	59 Å²	59	32.5 Å²	32.5	22%	0.223	15%	0.151	C	C	.	.	H	α-helix	trans	-64.1	-42.5	175.9	-67.9	-171.8	-65.9	-89.5	-1.1	112.7	T589 G590 T592 T728 G729 F730 I735 E736	T589-R732 PolarHBondContact O-NH1 3.13Å; G590-R732 PolarHBondContact O-NH1 3.25Å; T592-R732 WeakPolarHBondContact OG1-CD 3.47Å; T592-R732 WeakPolarHBondContact OG1-CG 3.28Å; T728-R732 WeakPolarHBondContact O-CG 3.12Å; T728-R732 PolarHBondContact O-N 2.95Å; T728-R732 PolarHBondContact OG1-NH1 2.96Å; G729-R732 PolarHBondContact O-N 3.28Å; F730-R732 VanDerWaalsContact C-N 3.31Å; F730-R732 PolarHBondContact O-N 3.43Å; R732-I735 WeakPolarHBondContact O-CG2 3.32Å; R732-E736 PolarHBondContact O-N 3.42Å
733	Q	93.5	Very high	94.1	Very high	113 Å²	113	32.6 Å²	32.6	53%	0.528	15%	0.151	S	C	.	.	H	α-helix	trans	-65.9	-40.6	177.5	-173.2	-177.8	13.3	0	0	111.6	G729 F730 K737	G729-Q733 PolarHBondContact O-N 2.91Å; G729-Q733 VanDerWaalsContact O-N 3.1Å; F730-Q733 PolarHBondContact O-N 3.04Å; F730-Q733 VanDerWaalsContact O-N 3.15Å; Q733-K737 WeakPolarHBondContact O-CB 3.36Å; Q733-K737 PolarHBondContact O-N 3.41Å
734	M	94.1	Very high	94.1	Very high	8 Å²	8	35.9 Å²	35.9	4%	0.039	17%	0.174	C	C	.	.	H	α-helix	trans	-67.2	-45.5	-178.3	-72.5	172.5	56	0	0	112.3	F610 L613 I617 F730 G731 E736 K737 T738 F793 I797	F610-M734 HydrophobicContact CD1-CE 4.11Å; F610-M734 HydrophobicContact CE1-CE 3.66Å; F610-M734 HydrophobicContact CE2-CE 4.36Å; F610-M734 HydrophobicContact CZ-CB 4.31Å; F610-M734 HydrophobicContact CZ-CE 3.79Å; L613-M734 HydrophobicContact CD1-CE 3.64Å; L613-M734 HydrophobicContact CD1-SD 4.33Å; I617-M734 HydrophobicContact CD1-SD 3.77Å; I617-M734 HydrophobicContact CG1-CE 4.4Å; I617-M734 HydrophobicContact CG1-SD 3.65Å; F730-M734 WeakPolarHBondContact O-CB 3.44Å; F730-M734 WeakPolarHBondContact O-CG 3.5Å; F730-M734 PolarHBondContact O-N 3.23Å; G731-M734 PolarHBondContact O-N 3.47Å; M734-E736 VanDerWaalsContact C-N 3.33Å; M734-E736 PolarHBondContact O-N 2.9Å; M734-K737 PolarHBondContact O-N 3.37Å; M734-T738 WeakPolarHBondContact O-CB 3.22Å; M734-T738 PolarHBondContact O-N 3.07Å; M734-T738 PolarHBondContact O-OG1 2.81Å; M734-T738 VanDerWaalsContact O-OG1 3.09Å; M734-F793 HydrophobicContact CB-CE1 4Å; M734-F793 HydrophobicContact CB-CZ 4.27Å; M734-F793 HydrophobicContact CE-CD1 4.35Å; M734-F793 HydrophobicContact CE-CE1 4.39Å; M734-F793 HydrophobicContact CG-CD1 4.23Å; M734-F793 HydrophobicContact CG-CE1 3.74Å; M734-F793 HydrophobicContact CG-CZ 4.49Å; M734-I797 HydrophobicContact CE-CB 4.46Å; M734-I797 HydrophobicContact CE-CD1 3.96Å; M734-I797 HydrophobicContact CE-CG1 4.33Å; M734-I797 HydrophobicContact CE-CG2 3.36Å; M734-I797 HydrophobicContact SD-CD1 4.06Å
735	I	93.1	Very high	94.1	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.015	18%	0.183	C	C	.	.	H	α-helix	trans	-64.9	-38.7	179.3	-166.2	174	0	0	0	111.7	I594 G731 R732 T738 K739 V766	I594-I735 HydrophobicContact CD1-CD1 4.08Å; I594-I735 HydrophobicContact CD1-CG1 4.04Å; I594-I735 HydrophobicContact CG1-CD1 4.3Å; G731-I735 WeakPolarHBondContact O-CG2 3.28Å; G731-I735 PolarHBondContact O-N 3.25Å; G731-I735 VanDerWaalsContact O-N 3.08Å; R732-I735 WeakPolarHBondContact O-CG2 3.32Å; I735-T738 PolarHBondContact O-N 3.47Å; I735-K739 PolarHBondContact O-N 2.85Å; I735-V766 HydrophobicContact CD1-CG1 4.26Å; I735-V766 HydrophobicContact CG1-CG1 3.77Å
736	E	92.9	Very high	94.1	Very high	82 Å²	82	35 Å²	35	38%	0.383	17%	0.169	S	C	.	.	H	α-helix	trans	-66.8	-43	175.4	-177.2	57.2	-150.1	0	0	111.5	R732 M734 T738 K739 Q740	R732-E736 PolarHBondContact O-N 3.42Å; M734-E736 VanDerWaalsContact C-N 3.33Å; M734-E736 PolarHBondContact O-N 2.9Å; E736-T738 VanDerWaalsContact C-N 3.35Å; E736-T738 PolarHBondContact O-N 3.11Å; E736-K739 WeakPolarHBondContact O-CB 3.2Å; E736-K739 PolarHBondContact O-N 3.31Å; E736-Q740 WeakPolarHBondContact O-CG 3.35Å; E736-Q740 PolarHBondContact O-N 2.84Å; E736-Q740 PolarHBondContact OE1-NE2 3.49Å
737	K	94.6	Very high	94.1	Very high	84 Å²	84	35.9 Å²	35.9	37%	0.365	17%	0.174	S	C	.	.	H	α-helix	trans	-60.8	-43.7	174.1	-171.5	-178.6	-177.7	-170.1	0	111.4	Q733 M734 K739 Q740 L741 H792 F793	Q733-K737 WeakPolarHBondContact O-CB 3.36Å; Q733-K737 PolarHBondContact O-N 3.41Å; M734-K737 PolarHBondContact O-N 3.37Å; K737-K739 VanDerWaalsContact C-N 3.34Å; K737-K739 PolarHBondContact O-N 3.19Å; K737-Q740 PolarHBondContact O-N 3Å; K737-L741 HydrophobicContact CG-CD1 3.98Å; K737-L741 HydrophobicContact CG-CG 4.32Å; K737-L741 WeakPolarHBondContact O-CB 3.45Å; K737-L741 VanDerWaalsContact O-CG 3.26Å; K737-L741 WeakPolarHBondContact O-CG 3.36Å; K737-L741 PolarHBondContact O-N 2.8Å; K737-H792 PolarHBondContact NZ-O 2.93Å; K737-F793 HydrophobicContact CB-CZ 4.46Å; K737-F793 HydrophobicContact CD-CE1 3.94Å; K737-F793 HydrophobicContact CD-CZ 4.29Å
738	T	95.1	Very high	93.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.7	-45.7	175.9	-68.9	0	0	0	0	111.2	F610 M734 I735 E736 Q740 L741 V742 V766 V789 L799	F610-T738 WeakPolarHBondContact CZ-OG1 3.29Å; M734-T738 WeakPolarHBondContact O-CB 3.22Å; M734-T738 PolarHBondContact O-N 3.07Å; M734-T738 PolarHBondContact O-OG1 2.81Å; M734-T738 VanDerWaalsContact O-OG1 3.09Å; I735-T738 PolarHBondContact O-N 3.47Å; E736-T738 VanDerWaalsContact C-N 3.35Å; E736-T738 PolarHBondContact O-N 3.11Å; T738-Q740 PolarHBondContact O-N 3.33Å; T738-L741 PolarHBondContact O-N 3.02Å; T738-V742 HydrophobicContact CG2-CG2 4.41Å; T738-V742 VanDerWaalsContact O-CG2 3.31Å; T738-V742 WeakPolarHBondContact O-CG2 3.38Å; T738-V742 PolarHBondContact O-N 3.47Å; T738-V766 HydrophobicContact CG2-CB 4.49Å; T738-V766 HydrophobicContact CG2-CG1 4.03Å; T738-V766 HydrophobicContact CG2-CG2 3.72Å; T738-V789 HydrophobicContact CG2-CG1 4.09Å; T738-L799 HydrophobicContact CG2-CD2 4.05Å
739	K	94.8	Very high	93.8	Very high	55 Å²	55	45.8 Å²	45.8	24%	0.239	24%	0.235	C	C	.	.	H	α-helix	trans	-55.9	-53.2	175.9	175	-176.3	176.3	-169.7	0	111.3	I594 I735 E736 K737 L741 V742 E743 V758	I594-K739 HydrophobicContact CD1-CD 4.34Å; I735-K739 PolarHBondContact O-N 2.85Å; E736-K739 WeakPolarHBondContact O-CB 3.2Å; E736-K739 PolarHBondContact O-N 3.31Å; K737-K739 VanDerWaalsContact C-N 3.34Å; K737-K739 PolarHBondContact O-N 3.19Å; K739-L741 VanDerWaalsContact C-N 3.35Å; K739-L741 PolarHBondContact O-N 3.08Å; K739-V742 PolarHBondContact O-N 3Å; K739-E743 VanDerWaalsContact CE-OE2 3.31Å; K739-E743 WeakPolarHBondContact CE-OE2 3.41Å; K739-E743 HydrophobicContact CG-CG 4.48Å; K739-E743 WeakPolarHBondContact O-CG 3.21Å; K739-E743 PolarHBondContact O-N 2.9Å; K739-V758 HydrophobicContact CB-CG2 4.26Å; K739-V758 HydrophobicContact CG-CB 3.98Å; K739-V758 HydrophobicContact CG-CG1 4.48Å; K739-V758 HydrophobicContact CG-CG2 3.88Å
740	Q	95.3	Very high	93.6	Very high	109 Å²	109	50 Å²	50	51%	0.509	26%	0.256	S	S	.	.	H	α-helix	trans	-61.6	-41.4	-178	-68	171.2	6.4	0	0	112.5	E736 K737 T738 S744	E736-Q740 WeakPolarHBondContact O-CG 3.35Å; E736-Q740 PolarHBondContact O-N 2.84Å; E736-Q740 PolarHBondContact OE1-NE2 3.49Å; K737-Q740 PolarHBondContact O-N 3Å; T738-Q740 PolarHBondContact O-N 3.33Å; Q740-S744 VanDerWaalsContact O-CB 3.25Å; Q740-S744 WeakPolarHBondContact O-CB 3.43Å; Q740-S744 PolarHBondContact O-N 3.06Å; Q740-S744 PolarHBondContact O-OG 2.98Å
741	L	95.6	Very high	93.4	Very high	25 Å²	25	52.7 Å²	52.7	13%	0.131	29%	0.289	C	S	.	.	H	α-helix	trans	-63.7	-44.8	178.2	-75.6	174.6	0	0	0	111.9	K737 T738 K739 S744 K745 W788 V789 H792	K737-L741 HydrophobicContact CG-CD1 3.98Å; K737-L741 HydrophobicContact CG-CG 4.32Å; K737-L741 WeakPolarHBondContact O-CB 3.45Å; K737-L741 VanDerWaalsContact O-CG 3.26Å; K737-L741 WeakPolarHBondContact O-CG 3.36Å; K737-L741 PolarHBondContact O-N 2.8Å; T738-L741 PolarHBondContact O-N 3.02Å; K739-L741 VanDerWaalsContact C-N 3.35Å; K739-L741 PolarHBondContact O-N 3.08Å; L741-S744 PolarHBondContact O-OG 3.23Å; L741-K745 WeakPolarHBondContact O-CB 3.18Å; L741-K745 PolarHBondContact O-N 3.39Å; L741-K745 VanDerWaalsContact O-N 3.14Å; L741-W788 HydrophobicContact CB-CH2 3.86Å; L741-W788 HydrophobicContact CB-CZ3 3.68Å; L741-W788 HydrophobicContact CD2-CH2 3.73Å; L741-W788 HydrophobicContact CD2-CZ2 4.43Å; L741-W788 HydrophobicContact CD2-CZ3 4.37Å; L741-W788 HydrophobicContact CG-CH2 4.34Å; L741-W788 WeakPolarHBondContact O-CH2 3.2Å; L741-W788 WeakPolarHBondContact O-CZ3 3.22Å; L741-V789 HydrophobicContact CB-CG2 4.46Å; L741-H792 HydrophobicContact CD1-CB 3.79Å
742	V	94.6	Very high	93.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-66.7	-46.3	179.6	172.3	0	0	0	0	111.1	L608 T738 K739 S744 Y746 A756 V768 V789	L608-V742 HydrophobicContact CD1-CG2 4.46Å; T738-V742 HydrophobicContact CG2-CG2 4.41Å; T738-V742 VanDerWaalsContact O-CG2 3.31Å; T738-V742 WeakPolarHBondContact O-CG2 3.38Å; T738-V742 PolarHBondContact O-N 3.47Å; K739-V742 PolarHBondContact O-N 3Å; V742-S744 VanDerWaalsContact C-N 3.3Å; V742-S744 PolarHBondContact O-N 3.48Å; V742-Y746 HydrophobicContact CG1-CD2 4.25Å; V742-Y746 WeakPolarHBondContact O-CD2 3.27Å; V742-Y746 PolarHBondContact O-N 3.5Å; V742-A756 HydrophobicContact CG1-CB 4.45Å; V742-V768 HydrophobicContact CG1-CB 4.35Å; V742-V768 HydrophobicContact CG1-CG1 3.46Å; V742-V768 VanDerWaalsContact CG1-CG1 3.46Å; V742-V768 HydrophobicContact CG1-CG2 3.94Å; V742-V789 HydrophobicContact CG2-CG2 3.77Å
743	E	94.6	Very high	93	Very high	57 Å²	57	59.1 Å²	59.1	27%	0.266	32%	0.317	S	S	.	.	H	α-helix	trans	-69.9	-24.9	-178.4	-66.4	-176.6	159.4	0	0	113.2	K739 T747 V758	K739-E743 VanDerWaalsContact CE-OE2 3.31Å; K739-E743 WeakPolarHBondContact CE-OE2 3.41Å; K739-E743 HydrophobicContact CG-CG 4.48Å; K739-E743 WeakPolarHBondContact O-CG 3.21Å; K739-E743 PolarHBondContact O-N 2.9Å; E743-T747 WeakPolarHBondContact O-CG2 2.92Å; E743-V758 HydrophobicContact CG-CG2 4.09Å; E743-V758 PolarHBondContact OE1-N 3.42Å
744	S	94.3	Very high	92.8	Very high	69 Å²	69	54.9 Å²	54.9	48%	0.483	30%	0.302	S	S	.	.	H	α-helix	trans	-88	-32.9	179.5	57.1	0	0	0	0	114.3	Q740 L741 V742 N750	Q740-S744 VanDerWaalsContact O-CB 3.25Å; Q740-S744 WeakPolarHBondContact O-CB 3.43Å; Q740-S744 PolarHBondContact O-N 3.06Å; Q740-S744 PolarHBondContact O-OG 2.98Å; L741-S744 PolarHBondContact O-OG 3.23Å; V742-S744 VanDerWaalsContact C-N 3.3Å; V742-S744 PolarHBondContact O-N 3.48Å; S744-N750 PolarHBondContact O-ND2 2.8Å
745	K	93.4	Very high	92.7	Very high	42 Å²	42	59 Å²	59	18%	0.183	32%	0.324	C	S	.	.	H	α-helix	trans	-81.2	-47.3	-179.3	177.7	172.5	176.3	-163.2	0	112.7	L741 T747 N750 Y752 E784 W788	L741-K745 WeakPolarHBondContact O-CB 3.18Å; L741-K745 PolarHBondContact O-N 3.39Å; L741-K745 VanDerWaalsContact O-N 3.14Å; K745-T747 VanDerWaalsContact C-N 3.32Å; K745-T747 PolarHBondContact O-N 3.25Å; K745-N750 WeakPolarHBondContact O-CB 3.36Å; K745-N750 PolarHBondContact O-ND2 3.08Å; K745-Y752 WeakPolarHBondContact O-CE2 3.22Å; K745-E784 IonicContact NZ-OE1 3.53Å; K745-W788 HydrophobicContact CB-CE3 4.46Å; K745-W788 HydrophobicContact CB-CH2 3.65Å; K745-W788 HydrophobicContact CB-CZ2 4.15Å; K745-W788 HydrophobicContact CB-CZ3 3.81Å; K745-W788 HydrophobicContact CD-CD2 3.35Å; K745-W788 HydrophobicContact CD-CE3 3.58Å; K745-W788 HydrophobicContact CD-CG 3.94Å; K745-W788 HydrophobicContact CD-CH2 3.76Å; K745-W788 HydrophobicContact CD-CZ2 3.56Å; K745-W788 HydrophobicContact CD-CZ3 3.75Å; K745-W788 HydrophobicContact CG-CH2 4.29Å; K745-W788 HydrophobicContact CG-CZ2 4.37Å; K745-W788 HydrophobicContact CG-CZ3 4.41Å
746	Y	93.3	Very high	92.7	Very high	3 Å²	3	59.2 Å²	59.2	1%	0.012	33%	0.326	C	S	.	.	S	Bend	trans	-89.7	71.6	-171.3	-62.2	-77.3	0	0	0	110.1	V742 Y752 A756 I781 A785 W788	V742-Y746 HydrophobicContact CG1-CD2 4.25Å; V742-Y746 WeakPolarHBondContact O-CD2 3.27Å; V742-Y746 PolarHBondContact O-N 3.5Å; Y746-Y752 AromaticContact CD1-CD1 3.84Å; Y746-Y752 HydrophobicContact CD1-CD1 3.84Å; Y746-Y752 HydrophobicContact CD1-CD2 4.25Å; Y746-Y752 AromaticContact CD1-CE1 3.41Å; Y746-Y752 HydrophobicContact CD1-CE1 3.41Å; Y746-Y752 VanDerWaalsContact CD1-CE1 3.41Å; Y746-Y752 AromaticContact CD1-CE2 3.84Å; Y746-Y752 HydrophobicContact CD1-CE2 3.84Å; Y746-Y752 HydrophobicContact CD1-CG 4.24Å; Y746-Y752 AromaticContact CD1-CZ 3.4Å; Y746-Y752 AromaticContact CE1-CE1 3.66Å; Y746-Y752 HydrophobicContact CE1-CE1 3.66Å; Y746-Y752 HydrophobicContact CE1-CE2 4.32Å; Y746-Y752 AromaticContact CE1-CZ 3.53Å; Y746-Y752 WeakPolarHBondContact CE1-OH 3.23Å; Y746-A756 WeakPolarHBondContact O-CB 3.32Å; Y746-A756 PolarHBondContact O-N 3.14Å; Y746-I781 HydrophobicContact CD1-CG2 4Å; Y746-I781 HydrophobicContact CE1-CG2 4.07Å; Y746-A785 HydrophobicContact CE2-CB 3.63Å; Y746-A785 WeakPolarHBondContact OH-CA 3.35Å; Y746-A785 PolarHBondContact OH-N 2.96Å; Y746-W788 HydrophobicContact CE2-CE3 4.35Å
747	T	93.4	Very high	92.8	Very high	17 Å²	17	61.6 Å²	61.6	10%	0.104	33%	0.332	C	S	.	.	S	Bend	trans	-125.8	162.1	-176.8	63.3	0	0	0	0	112	E743 K745 S749 N750 G751 Y752 D755	E743-T747 WeakPolarHBondContact O-CG2 2.92Å; K745-T747 VanDerWaalsContact C-N 3.32Å; K745-T747 PolarHBondContact O-N 3.25Å; T747-S749 PolarHBondContact O-N 2.83Å; T747-S749 PolarHBondContact OG1-OG 3.05Å; T747-N750 PolarHBondContact O-N 3.43Å; T747-N750 VanDerWaalsContact O-N 3.09Å; T747-N750 PolarHBondContact OG1-N 2.88Å; T747-N750 PolarHBondContact OG1-ND2 3.45Å; T747-G751 PolarHBondContact O-N 3.23Å; T747-Y752 PolarHBondContact O-N 2.92Å; T747-D755 WeakPolarHBondContact CA-OD1 3.17Å; T747-D755 VanDerWaalsContact CB-OD1 3.24Å; T747-D755 WeakPolarHBondContact CB-OD1 3.48Å
748	I	91.1	Very high	92.9	Very high	105 Å²	105	57.8 Å²	57.8	54%	0.538	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-59.3	-38.4	174.8	-62	170.1	0	0	0	110.6	N750 G751 Y752 D755	I748-N750 PolarHBondContact O-N 3.19Å; I748-G751 PolarHBondContact O-N 3.23Å; I748-G751 VanDerWaalsContact O-N 3.09Å; I748-Y752 WeakPolarHBondContact CA-O 3.43Å; I748-D755 PolarHBondContact N-OD1 3.35Å
749	S	91.6	Very high	93	Very high	105 Å²	105	57.8 Å²	57.8	73%	0.734	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-61.5	-27.7	178.1	65.3	0	0	0	0	113.3	T747 G751	T747-S749 PolarHBondContact O-N 2.83Å; T747-S749 PolarHBondContact OG1-OG 3.05Å; S749-G751 VanDerWaalsContact C-N 3.35Å
750	N	90.5	Very high	93	Very high	90 Å²	90	55.1 Å²	55.1	48%	0.481	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-96.4	12.1	-179.2	-62.8	-14.7	0	0	0	112.4	S744 K745 T747 I748 Y752	S744-N750 PolarHBondContact O-ND2 2.8Å; K745-N750 WeakPolarHBondContact O-CB 3.36Å; K745-N750 PolarHBondContact O-ND2 3.08Å; T747-N750 PolarHBondContact O-N 3.43Å; T747-N750 VanDerWaalsContact O-N 3.09Å; T747-N750 PolarHBondContact OG1-N 2.88Å; T747-N750 PolarHBondContact OG1-ND2 3.45Å; I748-N750 PolarHBondContact O-N 3.19Å; N750-Y752 HydrophobicContact CB-CD2 4.14Å; N750-Y752 HydrophobicContact CB-CE2 4.28Å
751	G	89.2	Confident	92.9	Very high	74 Å²	74	50 Å²	50	76%	0.763	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.3	11	174.6	0	0	0	0	0	115.4	T747 I748 S749	T747-G751 PolarHBondContact O-N 3.23Å; I748-G751 PolarHBondContact O-N 3.23Å; I748-G751 VanDerWaalsContact O-N 3.09Å; S749-G751 VanDerWaalsContact C-N 3.35Å
752	Y	91.3	Very high	92.6	Very high	58 Å²	58	50 Å²	50	23%	0.227	28%	0.28	C	S	.	.			trans	-87.8	160	174.1	-64.3	-88.2	0	0	0	111.5	K745 Y746 T747 I748 N750 A754 E784	K745-Y752 WeakPolarHBondContact O-CE2 3.22Å; Y746-Y752 AromaticContact CD1-CD1 3.84Å; Y746-Y752 HydrophobicContact CD1-CD1 3.84Å; Y746-Y752 HydrophobicContact CD1-CD2 4.25Å; Y746-Y752 AromaticContact CD1-CE1 3.41Å; Y746-Y752 HydrophobicContact CD1-CE1 3.41Å; Y746-Y752 VanDerWaalsContact CD1-CE1 3.41Å; Y746-Y752 AromaticContact CD1-CE2 3.84Å; Y746-Y752 HydrophobicContact CD1-CE2 3.84Å; Y746-Y752 HydrophobicContact CD1-CG 4.24Å; Y746-Y752 AromaticContact CD1-CZ 3.4Å; Y746-Y752 AromaticContact CE1-CE1 3.66Å; Y746-Y752 HydrophobicContact CE1-CE1 3.66Å; Y746-Y752 HydrophobicContact CE1-CE2 4.32Å; Y746-Y752 AromaticContact CE1-CZ 3.53Å; Y746-Y752 WeakPolarHBondContact CE1-OH 3.23Å; T747-Y752 PolarHBondContact O-N 2.92Å; I748-Y752 WeakPolarHBondContact CA-O 3.43Å; N750-Y752 HydrophobicContact CB-CD2 4.14Å; N750-Y752 HydrophobicContact CB-CE2 4.28Å; Y752-A754 VanDerWaalsContact C-N 3.28Å; Y752-A754 PolarHBondContact O-N 3.26Å; Y752-E784 PolarHBondContact OH-OE1 3.18Å
753	Q	86.1	Confident	92.1	Very high	142 Å²	142	51.1 Å²	51.1	66%	0.664	29%	0.287	S	S	*	.	S	Bend	trans	-67.4	-25.9	-174.8	-67.3	-176.8	1	0	0	114
754	A	89.8	Confident	91.8	Very high	24 Å²	24	51.4 Å²	51.4	20%	0.198	29%	0.29	C	S	.	.	S	Bend	trans	-155.6	161.3	-177	0	0	0	0	0	110.6	Y752 A756	Y752-A754 VanDerWaalsContact C-N 3.28Å; Y752-A754 PolarHBondContact O-N 3.26Å; A754-A756 PolarHBondContact O-N 3.41Å
755	D	92.4	Very high	91.7	Very high	96 Å²	96	48.7 Å²	48.7	51%	0.513	27%	0.271	S	S	.	.			trans	-76.3	118.5	172.1	-62.5	-33.9	0	0	0	110.4	T747 I748	T747-D755 WeakPolarHBondContact CA-OD1 3.17Å; T747-D755 VanDerWaalsContact CB-OD1 3.24Å; T747-D755 WeakPolarHBondContact CB-OD1 3.48Å; I748-D755 PolarHBondContact N-OD1 3.35Å
756	A	93.7	Very high	91.8	Very high	7 Å²	7	46.8 Å²	46.8	6%	0.058	26%	0.263	C	S	.	.			trans	-69.4	140	175.7	0	0	0	0	0	110.7	V742 Y746 A754 V768 K769 L770	V742-A756 HydrophobicContact CG1-CB 4.45Å; Y746-A756 WeakPolarHBondContact O-CB 3.32Å; Y746-A756 PolarHBondContact O-N 3.14Å; A754-A756 PolarHBondContact O-N 3.41Å; A756-V768 HydrophobicContact CB-CG1 4.12Å; A756-K769 CarbonylContact C-O 3.54Å; A756-K769 VanDerWaalsContact CA-O 3.26Å; A756-K769 WeakPolarHBondContact CA-O 3.28Å; A756-L770 HydrophobicContact CB-CD2 4.09Å
757	R	95.1	Very high	92	Very high	132 Å²	132	46.7 Å²	46.7	50%	0.498	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	132.6	179.8	-171.6	168.9	175	170.6	-4.4	111.3	E597 V759 K769	E597-R757 VanDerWaalsContact CD-NE 3.29Å; E597-R757 VanDerWaalsContact CD-NH2 3.33Å; E597-R757 IonicContact OE1-CZ 3.5Å; E597-R757 IonicContact OE1-NE 2.7Å; E597-R757 PolarHBondContact OE1-NE 3.37Å; E597-R757 IonicContact OE1-NH2 3.34Å; E597-R757 PolarHBondContact OE1-NH2 2.93Å; E597-R757 IonicContact OE2-CZ 2.69Å; E597-R757 IonicContact OE2-NE 3.84Å; E597-R757 PolarHBondContact OE2-NE 3.26Å; E597-R757 IonicContact OE2-NH2 3.9Å; R757-V759 PolarHBondContact O-N 2.91Å; R757-K769 PolarHBondContact N-O 3.21Å; R757-K769 WeakPolarHBondContact O-CB 3.27Å; R757-K769 PolarHBondContact O-N 3.41Å
758	V	96.2	Very high	92.2	Very high	3 Å²	3	46 Å²	46	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	108.7	175.9	-180	0	0	0	0	108.9	I594 K739 E743 Y760 V766 M767 V768	I594-V758 HydrophobicContact CD1-CG1 4.21Å; K739-V758 HydrophobicContact CB-CG2 4.26Å; K739-V758 HydrophobicContact CG-CB 3.98Å; K739-V758 HydrophobicContact CG-CG1 4.48Å; K739-V758 HydrophobicContact CG-CG2 3.88Å; E743-V758 HydrophobicContact CG-CG2 4.09Å; E743-V758 PolarHBondContact OE1-N 3.42Å; V758-Y760 WeakPolarHBondContact CG1-O 3.37Å; V758-V766 HydrophobicContact CG1-CB 4.34Å; V758-M767 WeakPolarHBondContact CA-O 2.97Å; V758-V768 HydrophobicContact CG2-CG2 4.33Å
759	V	96.1	Very high	92.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-22.3	-176.6	-63.2	0	0	0	0	112.5	E597 Y601 I605 R757 M767 K769	E597-V759 HydrophobicContact CB-CB 4.31Å; E597-V759 PolarHBondContact N-O 2.83Å; Y601-V759 HydrophobicContact CE1-CB 4.37Å; Y601-V759 HydrophobicContact CE1-CG1 3.67Å; I605-V759 HydrophobicContact CD1-CG2 4.49Å; I605-V759 HydrophobicContact CG2-CG2 4.1Å; R757-V759 PolarHBondContact O-N 2.91Å; V759-M767 HydrophobicContact CG2-CB 4.18Å; V759-M767 WeakPolarHBondContact CG2-O 3.22Å; V759-M767 PolarHBondContact N-O 3.39Å; V759-K769 HydrophobicContact CG1-CB 3.79Å; V759-K769 HydrophobicContact CG1-CD 4.5Å
760	Y	96.1	Very high	92.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	158.7	177.5	-171.5	-129.2	0	0	0	112.3	V593 I594 P596 V758 D762 M767 L810 K814 Y816	V593-Y760 HydrophobicContact CG1-CE2 3.7Å; V593-Y760 WeakPolarHBondContact CG1-OH 3.34Å; I594-Y760 WeakPolarHBondContact O-CE2 3.41Å; P596-Y760 HydrophobicContact CB-CD2 3.67Å; P596-Y760 HydrophobicContact CB-CE2 4.13Å; P596-Y760 HydrophobicContact CB-CG 4.46Å; V758-Y760 WeakPolarHBondContact CG1-O 3.37Å; Y760-D762 HydrophobicContact CE1-CB 4.11Å; Y760-M767 HydrophobicContact CD1-CE 4Å; Y760-M767 HydrophobicContact CD1-SD 3.83Å; Y760-M767 PolarHBondContact O-N 3.28Å; Y760-L810 HydrophobicContact CD1-CD1 4.3Å; Y760-L810 HydrophobicContact CG-CD1 4.21Å; Y760-L810 HydrophobicContact CG-CD2 4.14Å; Y760-K814 PolarHBondContact OH-N 2.88Å; Y760-Y816 HydrophobicContact CD1-CD1 4.42Å; Y760-Y816 HydrophobicContact CD1-CE1 4.32Å; Y760-Y816 AromaticContact CE1-CD1 4Å; Y760-Y816 HydrophobicContact CE1-CD1 4Å; Y760-Y816 AromaticContact CE1-CE1 3.72Å; Y760-Y816 HydrophobicContact CE1-CE1 3.72Å
761	G	92.6	Very high	92.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	137.4	166.9	0	0	0	0	0	111.7	V593 I594 S765	V593-G761 WeakPolarHBondContact CG1-O 3.17Å; I594-G761 PolarHBondContact N-O 3.48Å; G761-S765 CarbonylContact C-O 3.54Å; G761-S765 WeakPolarHBondContact CA-O 3.45Å
762	D	89.4	Confident	92.3	Very high	26 Å²	26	33.7 Å²	33.7	14%	0.139	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	97.8	178.2	-172.4	3.9	0	0	0	108.9	Y760 D764 S765 K814	Y760-D762 HydrophobicContact CE1-CB 4.11Å; D762-D764 VanDerWaalsContact C-N 3.26Å; D762-D764 PolarHBondContact O-N 3.49Å; D762-S765 PolarHBondContact N-O 3.28Å; D762-S765 VanDerWaalsContact N-O 3.08Å; D762-S765 PolarHBondContact O-N 2.83Å; D762-S765 PolarHBondContact O-OG 3.23Å; D762-K814 WeakPolarHBondContact OD1-CE 3.2Å; D762-K814 IonicContact OD1-NZ 2.93Å; D762-K814 PolarHBondContact OD1-NZ 3.06Å; D762-K814 WeakPolarHBondContact OD2-CE 3.38Å; D762-K814 IonicContact OD2-NZ 3.57Å
763	T	84.6	Confident	92.1	Very high	23 Å²	23	35.8 Å²	35.8	14%	0.141	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	-69.5	173.6	-49.5	0	0	0	0	116	A591 T592 L613 Y614	A591-T763 HydrophobicContact CB-CG2 3.47Å; A591-T763 VanDerWaalsContact CB-CG2 3.47Å; A591-T763 VanDerWaalsContact CB-OG1 3.26Å; A591-T763 WeakPolarHBondContact CB-OG1 3.23Å; T592-T763 PolarHBondContact O-N 3.34Å; L613-T763 HydrophobicContact CD2-CG2 4.42Å; Y614-T763 WeakPolarHBondContact OH-CG2 3.35Å
764	D	88.1	Confident	92.4	Very high	63 Å²	63	31.8 Å²	31.8	34%	0.337	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-18.1	-173.7	52	1.7	0	0	0	113.7	D609 F610 L613 D762	D609-D764 WeakPolarHBondContact OD1-CB 3.35Å; F610-D764 VanDerWaalsContact CD2-O 3.25Å; F610-D764 WeakPolarHBondContact CD2-O 3.49Å; F610-D764 PolarHBondContact N-O 3.12Å; L613-D764 HydrophobicContact CB-CB 4.19Å; L613-D764 HydrophobicContact CD2-CB 3.86Å; D762-D764 VanDerWaalsContact C-N 3.26Å; D762-D764 PolarHBondContact O-N 3.49Å
765	S	92.6	Very high	92.6	Very high	12 Å²	12	31.1 Å²	31.1	8%	0.084	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	144.8	-177.2	53.5	0	0	0	0	113.2	L608 G761 D762	L608-S765 CarbonylContact O-C 3.57Å; L608-S765 VanDerWaalsContact O-CA 3.32Å; L608-S765 WeakPolarHBondContact O-CA 3.49Å; G761-S765 CarbonylContact C-O 3.54Å; G761-S765 WeakPolarHBondContact CA-O 3.45Å; D762-S765 PolarHBondContact N-O 3.28Å; D762-S765 VanDerWaalsContact N-O 3.08Å; D762-S765 PolarHBondContact O-N 2.83Å; D762-S765 PolarHBondContact O-OG 3.23Å
766	V	95.3	Very high	92.6	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.012	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	135.2	169.9	-65.2	0	0	0	0	110.3	T607 L608 I735 T738 V758 V768	T607-V766 WeakPolarHBondContact CA-O 3.42Å; L608-V766 HydrophobicContact CB-CG2 3.84Å; L608-V766 HydrophobicContact CD1-CG2 4.35Å; L608-V766 HydrophobicContact CG-CG2 4.34Å; L608-V766 PolarHBondContact N-O 3.35Å; L608-V766 PolarHBondContact O-N 2.97Å; I735-V766 HydrophobicContact CD1-CG1 4.26Å; I735-V766 HydrophobicContact CG1-CG1 3.77Å; T738-V766 HydrophobicContact CG2-CB 4.49Å; T738-V766 HydrophobicContact CG2-CG1 4.03Å; T738-V766 HydrophobicContact CG2-CG2 3.72Å; V758-V766 HydrophobicContact CG1-CB 4.34Å; V766-V768 HydrophobicContact CG2-CG2 4.28Å
767	M	96.8	Very high	92.6	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	113.6	179.8	-59.5	-171.4	-175.8	0	0	109.1	I605 A606 T607 V758 V759 Y760 Y805 Y808 Y816	I605-M767 HydrophobicContact CG2-CB 3.88Å; A606-M767 WeakPolarHBondContact O-CA 3.47Å; T607-M767 HydrophobicContact CG2-CG 4.26Å; V758-M767 WeakPolarHBondContact CA-O 2.97Å; V759-M767 HydrophobicContact CG2-CB 4.18Å; V759-M767 WeakPolarHBondContact CG2-O 3.22Å; V759-M767 PolarHBondContact N-O 3.39Å; Y760-M767 HydrophobicContact CD1-CE 4Å; Y760-M767 HydrophobicContact CD1-SD 3.83Å; Y760-M767 PolarHBondContact O-N 3.28Å; M767-Y805 HydrophobicContact CE-CE2 4.26Å; M767-Y808 HydrophobicContact SD-CE1 4.08Å; M767-Y808 HydrophobicContact SD-CE2 4.23Å; M767-Y808 VanDerWaalsContact SD-CZ 3.54Å; M767-Y808 PolarHBondContact SD-OH 2.57Å; M767-Y816 HydrophobicContact CE-CD2 4.5Å; M767-Y816 HydrophobicContact CE-CE1 4.11Å; M767-Y816 HydrophobicContact CE-CE2 3.8Å
768	V	96.8	Very high	92.5	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.012	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.3	-168.1	-168	0	0	0	0	109.7	A606 L608 V742 A756 V758 V766 L770	A606-V768 PolarHBondContact N-O 2.78Å; A606-V768 PolarHBondContact O-N 2.9Å; L608-V768 HydrophobicContact CD1-CG2 4.27Å; L608-V768 HydrophobicContact CG-CG2 4.47Å; V742-V768 HydrophobicContact CG1-CB 4.35Å; V742-V768 HydrophobicContact CG1-CG1 3.46Å; V742-V768 VanDerWaalsContact CG1-CG1 3.46Å; V742-V768 HydrophobicContact CG1-CG2 3.94Å; A756-V768 HydrophobicContact CB-CG1 4.12Å; V758-V768 HydrophobicContact CG2-CG2 4.33Å; V766-V768 HydrophobicContact CG2-CG2 4.28Å; V768-L770 HydrophobicContact CB-CD2 4.49Å; V768-L770 HydrophobicContact CG1-CD2 3.75Å; V768-L770 HydrophobicContact CG1-CG 4.21Å; V768-L770 PolarHBondContact O-N 3.36Å
769	K	96.3	Very high	92.5	Very high	79 Å²	79	28.8 Å²	28.8	34%	0.343	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	105.2	165.3	-179.2	-173.5	174.7	-172.9	0	107.9	Y601 V603 I605 A756 R757 V759	Y601-K769 HydrophobicContact CD1-CD 4.41Å; Y601-K769 HydrophobicContact CE1-CD 4.28Å; V603-K769 HydrophobicContact CG2-CD 4.44Å; V603-K769 HydrophobicContact CG2-CG 4.16Å; I605-K769 HydrophobicContact CD1-CB 3.68Å; I605-K769 HydrophobicContact CD1-CG 3.97Å; A756-K769 CarbonylContact C-O 3.54Å; A756-K769 VanDerWaalsContact CA-O 3.26Å; A756-K769 WeakPolarHBondContact CA-O 3.28Å; R757-K769 PolarHBondContact N-O 3.21Å; R757-K769 WeakPolarHBondContact O-CB 3.27Å; R757-K769 PolarHBondContact O-N 3.41Å; V759-K769 HydrophobicContact CG1-CB 3.79Å; V759-K769 HydrophobicContact CG1-CD 4.5Å
770	L	92.6	Very high	92.3	Very high	9 Å²	9	33.5 Å²	33.5	5%	0.047	18%	0.179	C	C	.	.			trans	-85	-12.4	-179.3	-65.5	169.8	0	0	0	113.5	A606 A756 V768 V772 A778 I781	A606-L770 HydrophobicContact CB-CD1 3.76Å; A606-L770 HydrophobicContact CB-CG 4.43Å; A756-L770 HydrophobicContact CB-CD2 4.09Å; V768-L770 HydrophobicContact CB-CD2 4.49Å; V768-L770 HydrophobicContact CG1-CD2 3.75Å; V768-L770 HydrophobicContact CG1-CG 4.21Å; V768-L770 PolarHBondContact O-N 3.36Å; L770-V772 VanDerWaalsContact C-N 3.25Å; L770-V772 HydrophobicContact CB-CG2 4.3Å; L770-V772 PolarHBondContact O-N 3.46Å; L770-A778 HydrophobicContact CD1-CB 4.47Å; L770-I781 HydrophobicContact CD1-CB 3.94Å; L770-I781 HydrophobicContact CD1-CG2 3.81Å; L770-I781 HydrophobicContact CD2-CG2 3.8Å; L770-I781 HydrophobicContact CG-CG2 4.35Å
771	G	86.6	Confident	92.2	Very high	27 Å²	27	35 Å²	35	28%	0.278	19%	0.187	S	C	.	.			trans	78.4	-2	178.1	0	0	0	0	0	115.8
772	V	90.4	Very high	92.3	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.012	19%	0.187	C	C	.	.			trans	-73.2	157.6	169.5	-61.2	0	0	0	0	111.8	P604 L770 E777 A778 I781	P604-V772 WeakPolarHBondContact CD-O 3.37Å; L770-V772 VanDerWaalsContact C-N 3.25Å; L770-V772 HydrophobicContact CB-CG2 4.3Å; L770-V772 PolarHBondContact O-N 3.46Å; V772-E777 HydrophobicContact CB-CB 4.2Å; V772-E777 HydrophobicContact CG1-CB 4.3Å; V772-E777 HydrophobicContact CG2-CB 4.24Å; V772-A778 HydrophobicContact CG2-CB 3.72Å; V772-I781 HydrophobicContact CG1-CD1 3.71Å
773	T	87.4	Confident	92.6	Very high	101 Å²	101	39.5 Å²	39.5	62%	0.62	20%	0.202	S	C	*	.	S	Bend	trans	-98	-21.7	-176.5	56.5	0	0	0	0	113.4
774	T	91.5	Very high	93	Very high	58 Å²	58	42 Å²	42	36%	0.356	21%	0.212	S	C	.	.	S	Bend	trans	-104.1	145.6	-176.7	75.9	0	0	0	0	112.6	K776 E777 A778	T774-K776 VanDerWaalsContact C-N 3.29Å; T774-K776 PolarHBondContact O-N 3.3Å; T774-E777 WeakPolarHBondContact OG1-CB 3.39Å; T774-E777 WeakPolarHBondContact OG1-CG 3.38Å; T774-E777 PolarHBondContact OG1-N 3.48Å; T774-E777 PolarHBondContact OG1-OE2 3.31Å; T774-A778 PolarHBondContact O-N 2.89Å
775	V	93.1	Very high	93.4	Very high	11 Å²	11	39 Å²	39	7%	0.067	20%	0.197	C	C	.	.	H	α-helix	trans	-64.6	-36.7	176.6	176.8	0	0	0	0	110.9	P604 A778 M779 V804 Y806 F821 P825	P604-V775 HydrophobicContact CG-CG2 4.38Å; V775-A778 PolarHBondContact O-N 2.9Å; V775-M779 HydrophobicContact CG1-CE 3.84Å; V775-M779 HydrophobicContact CG1-CG 4.33Å; V775-M779 HydrophobicContact CG1-SD 4.34Å; V775-M779 VanDerWaalsContact O-CG 3.31Å; V775-M779 WeakPolarHBondContact O-CG 3.29Å; V775-M779 PolarHBondContact O-N 3.38Å; V775-V804 HydrophobicContact CG1-CB 4.25Å; V775-V804 HydrophobicContact CG1-CG1 4.08Å; V775-Y806 HydrophobicContact CG2-CD1 3.55Å; V775-Y806 HydrophobicContact CG2-CE1 4.37Å; V775-Y806 HydrophobicContact CG2-CG 3.89Å; V775-F821 HydrophobicContact CG1-CB 4.03Å; V775-F821 HydrophobicContact CG1-CD1 4.04Å; V775-F821 HydrophobicContact CG1-CG 4.06Å; V775-P825 HydrophobicContact CB-CB 4.38Å; V775-P825 HydrophobicContact CG1-CB 4.19Å
776	K	93.9	Very high	93.5	Very high	121 Å²	121	38.7 Å²	38.7	53%	0.526	19%	0.194	S	C	.	.	H	α-helix	trans	-60.9	-51.7	-179.4	-174.6	-178.5	174.4	-173.3	0	111.9	T774 A778 M779 E780 P825	T774-K776 VanDerWaalsContact C-N 3.29Å; T774-K776 PolarHBondContact O-N 3.3Å; K776-A778 VanDerWaalsContact C-N 3.31Å; K776-A778 PolarHBondContact O-N 2.76Å; K776-M779 WeakPolarHBondContact O-CB 3.43Å; K776-M779 PolarHBondContact O-N 2.85Å; K776-E780 WeakPolarHBondContact CE-OE1 3.33Å; K776-E780 WeakPolarHBondContact O-CG 3.44Å; K776-E780 PolarHBondContact O-N 3.17Å; K776-P825 HydrophobicContact CB-CB 3.87Å; K776-P825 HydrophobicContact CB-CG 4.26Å; K776-P825 HydrophobicContact CG-CG 4.43Å
777	E	92.2	Very high	93.5	Very high	65 Å²	65	46 Å²	46	30%	0.304	23%	0.228	S	C	.	.	H	α-helix	trans	-62.9	-39.8	177.8	-68.1	163.6	155.3	0	0	111	V772 T774 M779 E780 I781	V772-E777 HydrophobicContact CB-CB 4.2Å; V772-E777 HydrophobicContact CG1-CB 4.3Å; V772-E777 HydrophobicContact CG2-CB 4.24Å; T774-E777 WeakPolarHBondContact OG1-CB 3.39Å; T774-E777 WeakPolarHBondContact OG1-CG 3.38Å; T774-E777 PolarHBondContact OG1-N 3.48Å; T774-E777 PolarHBondContact OG1-OE2 3.31Å; E777-M779 VanDerWaalsContact C-N 3.29Å; E777-M779 PolarHBondContact O-N 3.33Å; E777-E780 PolarHBondContact O-N 3.17Å; E777-I781 WeakPolarHBondContact O-CG1 3.07Å; E777-I781 PolarHBondContact O-N 3.06Å
778	A	94.5	Very high	93.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.4	-36.5	176.5	0	0	0	0	0	112.5	P604 L770 V772 T774 V775 K776 G782 V804	P604-A778 HydrophobicContact CB-CB 3.66Å; L770-A778 HydrophobicContact CD1-CB 4.47Å; V772-A778 HydrophobicContact CG2-CB 3.72Å; T774-A778 PolarHBondContact O-N 2.89Å; V775-A778 PolarHBondContact O-N 2.9Å; K776-A778 VanDerWaalsContact C-N 3.31Å; K776-A778 PolarHBondContact O-N 2.76Å; A778-G782 WeakPolarHBondContact O-CA 2.94Å; A778-G782 PolarHBondContact O-N 2.87Å; A778-V804 HydrophobicContact CB-CG1 4.37Å; A778-V804 HydrophobicContact CB-CG2 3.98Å
779	M	94.6	Very high	93.3	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.015	24%	0.238	C	C	.	.	H	α-helix	trans	-68.7	-41.2	174	-72.2	-174.6	170	0	0	112.1	V775 K776 E777 R783 F801 V804 F821 P825	V775-M779 HydrophobicContact CG1-CE 3.84Å; V775-M779 HydrophobicContact CG1-CG 4.33Å; V775-M779 HydrophobicContact CG1-SD 4.34Å; V775-M779 VanDerWaalsContact O-CG 3.31Å; V775-M779 WeakPolarHBondContact O-CG 3.29Å; V775-M779 PolarHBondContact O-N 3.38Å; K776-M779 WeakPolarHBondContact O-CB 3.43Å; K776-M779 PolarHBondContact O-N 2.85Å; E777-M779 VanDerWaalsContact C-N 3.29Å; E777-M779 PolarHBondContact O-N 3.33Å; M779-R783 VanDerWaalsContact O-CG 3.28Å; M779-R783 WeakPolarHBondContact O-CG 3.26Å; M779-R783 PolarHBondContact O-N 3.18Å; M779-F801 HydrophobicContact CB-CZ 4.14Å; M779-F801 HydrophobicContact CG-CE1 4.26Å; M779-F801 HydrophobicContact CG-CE2 4.48Å; M779-F801 HydrophobicContact CG-CZ 3.71Å; M779-V804 HydrophobicContact CG-CG2 3.81Å; M779-F821 HydrophobicContact CE-CB 3.62Å; M779-P825 HydrophobicContact SD-CB 4.35Å
780	E	93.4	Very high	93.3	Very high	98 Å²	98	46.1 Å²	46.1	46%	0.458	23%	0.23	S	C	.	.	H	α-helix	trans	-65.3	-53.1	179.4	-72.6	170	-174.5	0	0	111.3	K776 E777 G782 R783 E784	K776-E780 WeakPolarHBondContact CE-OE1 3.33Å; K776-E780 WeakPolarHBondContact O-CG 3.44Å; K776-E780 PolarHBondContact O-N 3.17Å; E777-E780 PolarHBondContact O-N 3.17Å; E780-G782 VanDerWaalsContact C-N 3.29Å; E780-G782 PolarHBondContact O-N 3.48Å; E780-R783 PolarHBondContact O-N 2.92Å; E780-E784 PolarHBondContact O-N 2.82Å
781	I	93.6	Very high	93.4	Very high	33 Å²	33	49.9 Å²	49.9	17%	0.169	26%	0.257	C	S	.	.	H	α-helix	trans	-64.3	-36.8	176.6	-61.1	169.8	0	0	0	110.6	Y746 L770 V772 E777 R783 E784 A785	Y746-I781 HydrophobicContact CD1-CG2 4Å; Y746-I781 HydrophobicContact CE1-CG2 4.07Å; L770-I781 HydrophobicContact CD1-CB 3.94Å; L770-I781 HydrophobicContact CD1-CG2 3.81Å; L770-I781 HydrophobicContact CD2-CG2 3.8Å; L770-I781 HydrophobicContact CG-CG2 4.35Å; V772-I781 HydrophobicContact CG1-CD1 3.71Å; E777-I781 WeakPolarHBondContact O-CG1 3.07Å; E777-I781 PolarHBondContact O-N 3.06Å; I781-R783 VanDerWaalsContact C-N 3.33Å; I781-R783 PolarHBondContact O-N 2.92Å; I781-E784 PolarHBondContact O-N 3.39Å; I781-A785 VanDerWaalsContact O-CB 3.28Å; I781-A785 WeakPolarHBondContact O-CB 3.41Å; I781-A785 PolarHBondContact O-N 3.42Å
782	G	94.4	Very high	93.7	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-60.8	-39.8	175.2	0	0	0	0	0	113	L608 A778 E780 A786	L608-G782 VanDerWaalsContact CD2-O 3.27Å; L608-G782 WeakPolarHBondContact CD2-O 3.42Å; A778-G782 WeakPolarHBondContact O-CA 2.94Å; A778-G782 PolarHBondContact O-N 2.87Å; E780-G782 VanDerWaalsContact C-N 3.29Å; E780-G782 PolarHBondContact O-N 3.48Å; G782-A786 WeakPolarHBondContact O-CB 3.49Å; G782-A786 PolarHBondContact O-N 3.04Å
783	R	94.8	Very high	93.9	Very high	118 Å²	118	53 Å²	53	45%	0.445	26%	0.264	S	S	.	.	H	α-helix	trans	-68.5	-43.3	174.7	-71.7	176.2	-161	117.9	0.9	111.8	M779 E780 I781 A785 A786 E787 F801	M779-R783 VanDerWaalsContact O-CG 3.28Å; M779-R783 WeakPolarHBondContact O-CG 3.26Å; M779-R783 PolarHBondContact O-N 3.18Å; E780-R783 PolarHBondContact O-N 2.92Å; I781-R783 VanDerWaalsContact C-N 3.33Å; I781-R783 PolarHBondContact O-N 2.92Å; R783-A785 VanDerWaalsContact C-N 3.32Å; R783-A785 PolarHBondContact O-N 3.23Å; R783-A786 PolarHBondContact O-N 2.79Å; R783-E787 PolarHBondContact O-N 3.18Å; R783-E787 VanDerWaalsContact O-N 3.07Å; R783-F801 HydrophobicContact CG-CB 3.88Å; R783-F801 HydrophobicContact CG-CD1 4.03Å; R783-F801 HydrophobicContact CG-CG 3.92Å
784	E	94.9	Very high	94.1	Very high	76 Å²	76	51.8 Å²	51.8	36%	0.355	26%	0.256	S	S	.	.	H	α-helix	trans	-58.7	-45	174	-173.2	-164.4	144.1	0	0	111.2	K745 Y752 E780 I781 E787 W788	K745-E784 IonicContact NZ-OE1 3.53Å; Y752-E784 PolarHBondContact OH-OE1 3.18Å; E780-E784 PolarHBondContact O-N 2.82Å; I781-E784 PolarHBondContact O-N 3.39Å; E784-E787 PolarHBondContact O-N 2.91Å; E784-W788 WeakPolarHBondContact O-CB 3.47Å; E784-W788 PolarHBondContact O-N 3.48Å
785	A	94.7	Very high	94	Very high	1 Å²	1	54 Å²	54	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-62.2	-44.1	177.3	0	0	0	0	0	112.4	L608 Y746 I781 R783 E787 V789	L608-A785 HydrophobicContact CD1-CB 3.93Å; Y746-A785 HydrophobicContact CE2-CB 3.63Å; Y746-A785 WeakPolarHBondContact OH-CA 3.35Å; Y746-A785 PolarHBondContact OH-N 2.96Å; I781-A785 VanDerWaalsContact O-CB 3.28Å; I781-A785 WeakPolarHBondContact O-CB 3.41Å; I781-A785 PolarHBondContact O-N 3.42Å; R783-A785 VanDerWaalsContact C-N 3.32Å; R783-A785 PolarHBondContact O-N 3.23Å; A785-E787 PolarHBondContact O-N 2.87Å; A785-V789 VanDerWaalsContact O-CB 3.29Å; A785-V789 WeakPolarHBondContact O-CB 3.22Å; A785-V789 VanDerWaalsContact O-CG2 3.22Å; A785-V789 WeakPolarHBondContact O-CG2 3.39Å; A785-V789 PolarHBondContact O-N 2.63Å
786	A	95	Very high	93.9	Very high	4 Å²	4	56.5 Å²	56.5	3%	0.033	29%	0.288	C	S	.	.	H	α-helix	trans	-59.1	-47.1	176.3	0	0	0	0	0	112.1	L608 G782 R783 S790 F801	L608-A786 HydrophobicContact CD2-CB 4.28Å; G782-A786 WeakPolarHBondContact O-CB 3.49Å; G782-A786 PolarHBondContact O-N 3.04Å; R783-A786 PolarHBondContact O-N 2.79Å; A786-S790 VanDerWaalsContact O-CB 3.3Å; A786-S790 WeakPolarHBondContact O-CB 3.43Å; A786-S790 PolarHBondContact O-N 3.38Å; A786-S790 PolarHBondContact O-OG 2.79Å; A786-F801 HydrophobicContact CB-CB 4.23Å
787	E	95.2	Very high	93.9	Very high	155 Å²	155	51.1 Å²	51.1	72%	0.724	27%	0.265	S	S	*	.	H	α-helix	trans	-67.6	-45.9	-179	-173	168.1	-161.3	0	0	112	R783 E784 A785 S790 S791	R783-E787 PolarHBondContact O-N 3.18Å; R783-E787 VanDerWaalsContact O-N 3.07Å; E784-E787 PolarHBondContact O-N 2.91Å; A785-E787 PolarHBondContact O-N 2.87Å; E787-S790 WeakPolarHBondContact O-CB 3.49Å; E787-S790 PolarHBondContact O-N 3Å; E787-S791 PolarHBondContact O-N 2.87Å
788	W	95.3	Very high	93.9	Very high	61 Å²	61	52.6 Å²	52.6	23%	0.231	27%	0.271	C	S	.	.	H	α-helix	trans	-67.5	-41.4	179.6	177.2	80.2	0	0	0	112.9	L741 K745 Y746 E784 S790 S791 H792	L741-W788 HydrophobicContact CB-CH2 3.86Å; L741-W788 HydrophobicContact CB-CZ3 3.68Å; L741-W788 HydrophobicContact CD2-CH2 3.73Å; L741-W788 HydrophobicContact CD2-CZ2 4.43Å; L741-W788 HydrophobicContact CD2-CZ3 4.37Å; L741-W788 HydrophobicContact CG-CH2 4.34Å; L741-W788 WeakPolarHBondContact O-CH2 3.2Å; L741-W788 WeakPolarHBondContact O-CZ3 3.22Å; K745-W788 HydrophobicContact CB-CE3 4.46Å; K745-W788 HydrophobicContact CB-CH2 3.65Å; K745-W788 HydrophobicContact CB-CZ2 4.15Å; K745-W788 HydrophobicContact CB-CZ3 3.81Å; K745-W788 HydrophobicContact CD-CD2 3.35Å; K745-W788 HydrophobicContact CD-CE3 3.58Å; K745-W788 HydrophobicContact CD-CG 3.94Å; K745-W788 HydrophobicContact CD-CH2 3.76Å; K745-W788 HydrophobicContact CD-CZ2 3.56Å; K745-W788 HydrophobicContact CD-CZ3 3.75Å; K745-W788 HydrophobicContact CG-CH2 4.29Å; K745-W788 HydrophobicContact CG-CZ2 4.37Å; K745-W788 HydrophobicContact CG-CZ3 4.41Å; Y746-W788 HydrophobicContact CE2-CE3 4.35Å; E784-W788 WeakPolarHBondContact O-CB 3.47Å; E784-W788 PolarHBondContact O-N 3.48Å; W788-S790 VanDerWaalsContact C-N 3.29Å; W788-S790 PolarHBondContact O-N 3.29Å; W788-S791 PolarHBondContact O-N 2.95Å; W788-S791 PolarHBondContact O-OG 3.1Å; W788-H792 AromaticContact CD2-CE1 3.95Å; W788-H792 AromaticContact CE2-CE1 3.31Å; W788-H792 AromaticContact CZ2-CE1 3.41Å; W788-H792 VanDerWaalsContact CZ2-CE1 3.41Å; W788-H792 WeakPolarHBondContact CZ2-CE1 3.4Å; W788-H792 AromaticContact CZ2-NE2 3.8Å; W788-H792 AromaticContact NE1-CE1 3.53Å; W788-H792 PolarHBondContact O-ND1 3.22Å
789	V	95.2	Very high	93.9	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.4	-38.1	175.2	172.1	0	0	0	0	110.3	T738 L741 V742 A785 S791 H792 F793 L799	T738-V789 HydrophobicContact CG2-CG1 4.09Å; L741-V789 HydrophobicContact CB-CG2 4.46Å; V742-V789 HydrophobicContact CG2-CG2 3.77Å; A785-V789 VanDerWaalsContact O-CB 3.29Å; A785-V789 WeakPolarHBondContact O-CB 3.22Å; A785-V789 VanDerWaalsContact O-CG2 3.22Å; A785-V789 WeakPolarHBondContact O-CG2 3.39Å; A785-V789 PolarHBondContact O-N 2.63Å; V789-S791 PolarHBondContact O-N 3.45Å; V789-H792 WeakPolarHBondContact O-CB 3.29Å; V789-H792 PolarHBondContact O-N 3.38Å; V789-H792 VanDerWaalsContact O-N 3.07Å; V789-F793 HydrophobicContact CG1-CD2 4.27Å; V789-F793 HydrophobicContact CG1-CE2 3.61Å; V789-F793 WeakPolarHBondContact O-CD2 3.32Å; V789-L799 HydrophobicContact CB-CD2 3.9Å; V789-L799 HydrophobicContact CG1-CD2 3.73Å; V789-L799 HydrophobicContact CG2-CD2 4.46Å
790	S	94.9	Very high	93.8	Very high	24 Å²	24	57 Å²	57	17%	0.168	29%	0.291	C	S	.	.	H	α-helix	trans	-58.2	-33.8	176.2	-63.8	0	0	0	0	112.9	A786 E787 W788 H792 F793 L799	A786-S790 VanDerWaalsContact O-CB 3.3Å; A786-S790 WeakPolarHBondContact O-CB 3.43Å; A786-S790 PolarHBondContact O-N 3.38Å; A786-S790 PolarHBondContact O-OG 2.79Å; E787-S790 WeakPolarHBondContact O-CB 3.49Å; E787-S790 PolarHBondContact O-N 3Å; W788-S790 VanDerWaalsContact C-N 3.29Å; W788-S790 PolarHBondContact O-N 3.29Å; S790-H792 PolarHBondContact O-N 3.34Å; S790-H792 VanDerWaalsContact O-N 3.14Å; S790-F793 PolarHBondContact O-N 3.28Å; S790-L799 PolarHBondContact OG-N 3.05Å; S790-L799 PolarHBondContact OG-O 2.94Å; S790-L799 VanDerWaalsContact OG-O 3.1Å
791	S	95.1	Very high	93.9	Very high	88 Å²	88	54.1 Å²	54.1	62%	0.615	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-11.7	178.9	82.1	0	0	0	0	114.2	E787 W788 V789	E787-S791 PolarHBondContact O-N 2.87Å; W788-S791 PolarHBondContact O-N 2.95Å; W788-S791 PolarHBondContact O-OG 3.1Å; V789-S791 PolarHBondContact O-N 3.45Å
792	H	94.1	Very high	93.8	Very high	70 Å²	70	55.8 Å²	55.8	32%	0.324	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	2.4	179.5	-67.2	75.2	0	0	0	113.7	K737 L741 W788 V789 S790	K737-H792 PolarHBondContact NZ-O 2.93Å; L741-H792 HydrophobicContact CD1-CB 3.79Å; W788-H792 AromaticContact CD2-CE1 3.95Å; W788-H792 AromaticContact CE2-CE1 3.31Å; W788-H792 AromaticContact CZ2-CE1 3.41Å; W788-H792 VanDerWaalsContact CZ2-CE1 3.41Å; W788-H792 WeakPolarHBondContact CZ2-CE1 3.4Å; W788-H792 AromaticContact CZ2-NE2 3.8Å; W788-H792 AromaticContact NE1-CE1 3.53Å; W788-H792 PolarHBondContact O-ND1 3.22Å; V789-H792 WeakPolarHBondContact O-CB 3.29Å; V789-H792 PolarHBondContact O-N 3.38Å; V789-H792 VanDerWaalsContact O-N 3.07Å; S790-H792 PolarHBondContact O-N 3.34Å; S790-H792 VanDerWaalsContact O-N 3.14Å
793	F	94.3	Very high	93.8	Very high	25 Å²	25	56.3 Å²	56.3	11%	0.11	29%	0.286	C	S	.	.	S	Bend	trans	-119.3	154	179.6	-65.7	-67.2	0	0	0	111.7	F610 M734 K737 V789 S790 I797	F610-F793 HydrophobicContact CE1-CD2 4.1Å; F610-F793 AromaticContact CE1-CE2 3.89Å; F610-F793 HydrophobicContact CE1-CE2 3.89Å; F610-F793 HydrophobicContact CE1-CZ 4.44Å; F610-F793 HydrophobicContact CZ-CD2 4.44Å; F610-F793 AromaticContact CZ-CE2 3.79Å; F610-F793 HydrophobicContact CZ-CE2 3.79Å; F610-F793 AromaticContact CZ-CZ 4Å; F610-F793 HydrophobicContact CZ-CZ 4Å; M734-F793 HydrophobicContact CB-CE1 4Å; M734-F793 HydrophobicContact CB-CZ 4.27Å; M734-F793 HydrophobicContact CE-CD1 4.35Å; M734-F793 HydrophobicContact CE-CE1 4.39Å; M734-F793 HydrophobicContact CG-CD1 4.23Å; M734-F793 HydrophobicContact CG-CE1 3.74Å; M734-F793 HydrophobicContact CG-CZ 4.49Å; K737-F793 HydrophobicContact CB-CZ 4.46Å; K737-F793 HydrophobicContact CD-CE1 3.94Å; K737-F793 HydrophobicContact CD-CZ 4.29Å; V789-F793 HydrophobicContact CG1-CD2 4.27Å; V789-F793 HydrophobicContact CG1-CE2 3.61Å; V789-F793 WeakPolarHBondContact O-CD2 3.32Å; S790-F793 PolarHBondContact O-N 3.28Å; F793-I797 HydrophobicContact CB-CB 3.98Å; F793-I797 HydrophobicContact CB-CG2 3.68Å; F793-I797 HydrophobicContact CD2-CG2 4.33Å; F793-I797 HydrophobicContact CG-CG2 3.96Å
794	T	91	Very high	93.9	Very high	76 Å²	76	50.7 Å²	50.7	47%	0.466	27%	0.265	S	S	.	.			trans	-71.8	129	177.6	-47.2	0	0	0	0	110.2	I797	T794-I797 VanDerWaalsContact O-CB 3.24Å; T794-I797 WeakPolarHBondContact O-CB 3.33Å; T794-I797 WeakPolarHBondContact O-CG1 3.2Å; T794-I797 PolarHBondContact O-N 3.41Å; T794-I797 VanDerWaalsContact O-N 3.08Å
795	P	90.3	Very high	94	Very high	105 Å²	105	47.1 Å²	47.1	68%	0.682	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	144.3	172.2	-25.8	34.7	0	0	0	111.8
796	P	91.4	Very high	93.9	Very high	62 Å²	62	49.4 Å²	49.4	40%	0.403	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	cis	-92.3	19.1	7.2	37.7	-36.9	0	0	0	114.3	M619 K798	M619-P796 HydrophobicContact CB-CG 4.26Å; M619-P796 HydrophobicContact CE-CG 3.53Å; M619-P796 HydrophobicContact SD-CG 4.44Å; P796-K798 PolarHBondContact O-N 2.92Å
797	I	93.5	Very high	93.9	Very high	9 Å²	9	49.2 Å²	49.2	5%	0.046	26%	0.256	C	S	.	.			trans	-63.6	122.4	176.4	-62.3	166.9	0	0	0	108.6	F610 A620 M734 F793 T794	F610-I797 HydrophobicContact CD1-CG2 3.98Å; F610-I797 HydrophobicContact CE1-CG2 3.83Å; A620-I797 HydrophobicContact CB-CD1 3.73Å; A620-I797 HydrophobicContact CB-CG1 3.98Å; M734-I797 HydrophobicContact CE-CB 4.46Å; M734-I797 HydrophobicContact CE-CD1 3.96Å; M734-I797 HydrophobicContact CE-CG1 4.33Å; M734-I797 HydrophobicContact CE-CG2 3.36Å; M734-I797 HydrophobicContact SD-CD1 4.06Å; F793-I797 HydrophobicContact CB-CB 3.98Å; F793-I797 HydrophobicContact CB-CG2 3.68Å; F793-I797 HydrophobicContact CD2-CG2 4.33Å; F793-I797 HydrophobicContact CG-CG2 3.96Å; T794-I797 VanDerWaalsContact O-CB 3.24Å; T794-I797 WeakPolarHBondContact O-CB 3.33Å; T794-I797 WeakPolarHBondContact O-CG1 3.2Å; T794-I797 PolarHBondContact O-N 3.41Å; T794-I797 VanDerWaalsContact O-N 3.08Å
798	K	92.7	Very high	93.9	Very high	96 Å²	96	41.9 Å²	41.9	42%	0.417	22%	0.221	S	C	.	.			trans	-141.1	142.1	174.9	62.7	175.3	179	162.5	0	110.7	S611 P796 E800	S611-K798 PolarHBondContact N-O 3.06Å; S611-K798 VanDerWaalsContact N-O 3.13Å; S611-K798 WeakPolarHBondContact OG-CE 3.26Å; S611-K798 WeakPolarHBondContact OG-CG 3.41Å; P796-K798 PolarHBondContact O-N 2.92Å; K798-E800 HydrophobicContact CD-CG 4.41Å; K798-E800 WeakPolarHBondContact CE-OE1 3.23Å; K798-E800 IonicContact NZ-OE1 3.05Å; K798-E800 PolarHBondContact NZ-OE1 3.36Å
799	L	93.9	Very high	93.8	Very high	7 Å²	7	39 Å²	39	4%	0.037	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	134.2	170.2	-165.6	71.6	0	0	0	107.8	L608 F610 T738 V789 S790	L608-L799 HydrophobicContact CB-CD1 4.1Å; L608-L799 HydrophobicContact CB-CD2 3.63Å; L608-L799 HydrophobicContact CB-CG 3.8Å; L608-L799 HydrophobicContact CD1-CD2 3.83Å; L608-L799 HydrophobicContact CG-CD2 4.37Å; F610-L799 HydrophobicContact CD1-CB 4.33Å; F610-L799 HydrophobicContact CD1-CD1 3.89Å; F610-L799 HydrophobicContact CD2-CD1 3.93Å; F610-L799 HydrophobicContact CE1-CB 4.28Å; F610-L799 HydrophobicContact CE1-CD1 4.01Å; F610-L799 HydrophobicContact CE2-CD1 4.05Å; F610-L799 HydrophobicContact CG-CD1 3.85Å; F610-L799 HydrophobicContact CZ-CD1 4.1Å; T738-L799 HydrophobicContact CG2-CD2 4.05Å; V789-L799 HydrophobicContact CB-CD2 3.9Å; V789-L799 HydrophobicContact CG1-CD2 3.73Å; V789-L799 HydrophobicContact CG2-CD2 4.46Å; S790-L799 PolarHBondContact OG-N 3.05Å; S790-L799 PolarHBondContact OG-O 2.94Å; S790-L799 VanDerWaalsContact OG-O 3.1Å
800	E	92.8	Very high	93.8	Very high	89 Å²	89	39 Å²	39	42%	0.416	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	140.5	179.4	-63.7	-174.1	157.8	0	0	109.6	L608 D609 K798 E802	L608-E800 WeakPolarHBondContact CA-O 3.09Å; D609-E800 PolarHBondContact N-O 3.26Å; D609-E800 PolarHBondContact O-N 2.97Å; K798-E800 HydrophobicContact CD-CG 4.41Å; K798-E800 WeakPolarHBondContact CE-OE1 3.23Å; K798-E800 IonicContact NZ-OE1 3.05Å; K798-E800 PolarHBondContact NZ-OE1 3.36Å; E800-E802 PolarHBondContact O-N 3.24Å
801	F	94.2	Very high	93.6	Very high	36 Å²	36	38.6 Å²	38.6	16%	0.158	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	121.6	164.5	170.7	-91.7	0	0	0	108.3	A606 L608 M779 R783 A786 K803 V804	A606-F801 HydrophobicContact CB-CE2 4.42Å; L608-F801 HydrophobicContact CD2-CB 4.38Å; L608-F801 HydrophobicContact CD2-CD2 4.15Å; M779-F801 HydrophobicContact CB-CZ 4.14Å; M779-F801 HydrophobicContact CG-CE1 4.26Å; M779-F801 HydrophobicContact CG-CE2 4.48Å; M779-F801 HydrophobicContact CG-CZ 3.71Å; R783-F801 HydrophobicContact CG-CB 3.88Å; R783-F801 HydrophobicContact CG-CD1 4.03Å; R783-F801 HydrophobicContact CG-CG 3.92Å; A786-F801 HydrophobicContact CB-CB 4.23Å; F801-K803 WeakPolarHBondContact CE2-O 3.45Å; F801-K803 VanDerWaalsContact CZ-C 3.47Å; F801-V804 HydrophobicContact CE2-CG2 3.82Å; F801-V804 HydrophobicContact CZ-CG2 3.82Å
802	E	91.5	Very high	93.4	Very high	68 Å²	68	37.7 Å²	37.7	32%	0.318	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-48.4	-179.2	-164.1	-160.1	155.5	0	0	111.5	T607 E800 Y820	T607-E802 PolarHBondContact O-N 3.01Å; T607-E802 VanDerWaalsContact O-N 3.09Å; E800-E802 PolarHBondContact O-N 3.24Å; E802-Y820 PolarHBondContact OE1-OH 2.83Å
803	K	94.3	Very high	93.2	Very high	13 Å²	13	38 Å²	38	6%	0.057	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	166.6	-166.1	60.3	-161.3	164	-150.8	0	112.9	T607 F801 Y805 Y820 F821	T607-K803 HydrophobicContact CG2-CG 4.42Å; T607-K803 PolarHBondContact N-O 3.37Å; F801-K803 WeakPolarHBondContact CE2-O 3.45Å; F801-K803 VanDerWaalsContact CZ-C 3.47Å; K803-Y805 HydrophobicContact CD-CE2 4.31Å; K803-Y820 HydrophobicContact CB-CE1 4.31Å; K803-Y820 HydrophobicContact CB-CE2 4.16Å; K803-Y820 HydrophobicContact CD-CD2 3.61Å; K803-Y820 HydrophobicContact CD-CE2 3.06Å; K803-Y820 HydrophobicContact CG-CE2 4.19Å; K803-F821 CarbonylContact C-O 3.58Å; K803-F821 VanDerWaalsContact CA-O 3.31Å; K803-F821 WeakPolarHBondContact CA-O 3.42Å
804	V	96.9	Very high	93	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	137.5	164.7	169.3	0	0	0	0	109.5	P604 I605 A606 V775 A778 M779 F801 F821	P604-V804 HydrophobicContact CB-CG1 3.74Å; I605-V804 CarbonylContact O-C 3.57Å; I605-V804 VanDerWaalsContact O-CA 3.32Å; I605-V804 WeakPolarHBondContact O-CA 3.37Å; A606-V804 HydrophobicContact CB-CG2 4.34Å; V775-V804 HydrophobicContact CG1-CB 4.25Å; V775-V804 HydrophobicContact CG1-CG1 4.08Å; A778-V804 HydrophobicContact CB-CG1 4.37Å; A778-V804 HydrophobicContact CB-CG2 3.98Å; M779-V804 HydrophobicContact CG-CG2 3.81Å; F801-V804 HydrophobicContact CE2-CG2 3.82Å; F801-V804 HydrophobicContact CZ-CG2 3.82Å; V804-F821 HydrophobicContact CB-CB 4.49Å; V804-F821 PolarHBondContact N-O 3.41Å; V804-F821 PolarHBondContact O-N 2.74Å
805	Y	96.9	Very high	93.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	127.3	166.5	-71.4	-64.4	0	0	0	111.3	P604 I605 M767 K803 Y808 Y816 L819 Y820 D832	P604-Y805 WeakPolarHBondContact CA-O 3.42Å; I605-Y805 PolarHBondContact N-O 3.27Å; I605-Y805 PolarHBondContact O-N 2.91Å; M767-Y805 HydrophobicContact CE-CE2 4.26Å; K803-Y805 HydrophobicContact CD-CE2 4.31Å; Y805-Y808 HydrophobicContact CD1-CD2 4.35Å; Y805-Y808 AromaticContact CD2-CD2 3.73Å; Y805-Y808 HydrophobicContact CD2-CD2 3.73Å; Y805-Y808 AromaticContact CD2-CE2 3.81Å; Y805-Y808 HydrophobicContact CD2-CE2 3.81Å; Y805-Y808 HydrophobicContact CE2-CD2 4.45Å; Y805-Y808 HydrophobicContact CE2-CE2 4.14Å; Y805-Y808 AromaticContact CG-CD2 3.67Å; Y805-Y808 HydrophobicContact CG-CD2 3.67Å; Y805-Y808 HydrophobicContact CG-CE2 4.19Å; Y805-Y808 HydrophobicContact CG-CG 4.41Å; Y805-Y816 HydrophobicContact CE2-CE2 4.45Å; Y805-L819 VanDerWaalsContact CA-O 3.28Å; Y805-L819 WeakPolarHBondContact CA-O 3.45Å; Y805-L819 WeakPolarHBondContact CD1-O 3.49Å; Y805-Y820 HydrophobicContact CE1-CD2 4.17Å; Y805-D832 HydrophobicContact CE1-CB 3.81Å; Y805-D832 PolarHBondContact OH-OD2 2.94Å
806	Y	94.5	Very high	93.2	Very high	49 Å²	49	37 Å²	37	19%	0.192	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	104	176.6	-178.1	-118.1	0	0	0	113.6	S602 P604 V775 L819 F821 R862	S602-Y806 VanDerWaalsContact O-CE2 3.29Å; S602-Y806 WeakPolarHBondContact O-CE2 3.27Å; P604-Y806 HydrophobicContact CB-CD2 4.45Å; P604-Y806 HydrophobicContact CG-CD2 3.77Å; P604-Y806 HydrophobicContact CG-CE2 4.17Å; P604-Y806 HydrophobicContact CG-CG 4.11Å; V775-Y806 HydrophobicContact CG2-CD1 3.55Å; V775-Y806 HydrophobicContact CG2-CE1 4.37Å; V775-Y806 HydrophobicContact CG2-CG 3.89Å; Y806-L819 PolarHBondContact N-O 3.04Å; Y806-L819 WeakPolarHBondContact O-CB 3.26Å; Y806-F821 VanDerWaalsContact O-CE2 3.28Å; Y806-F821 WeakPolarHBondContact O-CE2 3.4Å; Y806-R862 PolarHBondContact OH-NH1 2.77Å; Y806-R862 PolarHBondContact OH-NH2 2.96Å; Y806-R862 VanDerWaalsContact OH-NH2 3.16Å
807	P	93.8	Very high	93.4	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-76.5	172.2	-2.9	31.2	-33.9	0	0	0	113.1	Y600 G818 L819 L859	Y600-P807 HydrophobicContact CE2-CB 3.95Å; Y600-P807 HydrophobicContact CE2-CG 4.39Å; Y600-P807 WeakPolarHBondContact OH-CB 3.48Å; P807-G818 VanDerWaalsContact O-CA 3.3Å; P807-G818 WeakPolarHBondContact O-CA 3.12Å; P807-L819 PolarHBondContact O-N 3.07Å; P807-L859 HydrophobicContact CB-CD2 4.34Å; P807-L859 VanDerWaalsContact CD-O 3.32Å; P807-L859 WeakPolarHBondContact CD-O 3.13Å; P807-L859 HydrophobicContact CG-CB 4.12Å; P807-L859 HydrophobicContact CG-CD2 3.75Å; P807-L859 WeakPolarHBondContact CG-O 3.45Å
808	Y	95.2	Very high	93.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	134.2	-179.3	-176	-123.2	0	0	0	112	Y601 I605 M767 Y805 L810 Y816 A817	Y601-Y808 HydrophobicContact CD2-CD1 4.05Å; Y601-Y808 PolarHBondContact N-O 2.77Å; Y601-Y808 PolarHBondContact O-N 3.18Å; I605-Y808 HydrophobicContact CB-CD1 4.4Å; I605-Y808 HydrophobicContact CG1-CD1 3.92Å; I605-Y808 HydrophobicContact CG1-CG 4.25Å; I605-Y808 HydrophobicContact CG2-CD1 4.45Å; M767-Y808 HydrophobicContact SD-CE1 4.08Å; M767-Y808 HydrophobicContact SD-CE2 4.23Å; M767-Y808 VanDerWaalsContact SD-CZ 3.54Å; M767-Y808 PolarHBondContact SD-OH 2.57Å; Y805-Y808 HydrophobicContact CD1-CD2 4.35Å; Y805-Y808 AromaticContact CD2-CD2 3.73Å; Y805-Y808 HydrophobicContact CD2-CD2 3.73Å; Y805-Y808 AromaticContact CD2-CE2 3.81Å; Y805-Y808 HydrophobicContact CD2-CE2 3.81Å; Y805-Y808 HydrophobicContact CE2-CD2 4.45Å; Y805-Y808 HydrophobicContact CE2-CE2 4.14Å; Y805-Y808 AromaticContact CG-CD2 3.67Å; Y805-Y808 HydrophobicContact CG-CD2 3.67Å; Y805-Y808 HydrophobicContact CG-CE2 4.19Å; Y805-Y808 HydrophobicContact CG-CG 4.41Å; Y808-L810 HydrophobicContact CD1-CB 4.43Å; Y808-L810 HydrophobicContact CE1-CB 3.78Å; Y808-L810 HydrophobicContact CE1-CD2 4.2Å; Y808-L810 HydrophobicContact CE1-CG 4.45Å; Y808-Y816 AromaticContact CE2-CD2 3.72Å; Y808-Y816 HydrophobicContact CE2-CD2 3.72Å; Y808-Y816 HydrophobicContact CE2-CG 4.07Å; Y808-Y816 WeakPolarHBondContact OH-CB 3.48Å; Y808-Y816 VanDerWaalsContact OH-CG 3.32Å; Y808-A817 WeakPolarHBondContact CD2-O 3.33Å
809	L	94.4	Very high	93.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	111.5	178.6	178.1	67	0	0	0	109.8	Y600 I811 Y816 A817 L855 L859 I977 P980	Y600-L809 HydrophobicContact CD2-CB 4.46Å; Y600-L809 HydrophobicContact CD2-CD1 4.25Å; L809-I811 HydrophobicContact CD2-CD1 4.4Å; L809-I811 HydrophobicContact CD2-CG1 4.39Å; L809-I811 HydrophobicContact CG-CG1 4.17Å; L809-Y816 CarbonylContact O-C 3.51Å; L809-Y816 WeakPolarHBondContact O-CA 3.11Å; L809-Y816 VanDerWaalsContact O-CB 3.32Å; L809-Y816 WeakPolarHBondContact O-CB 3.07Å; L809-A817 PolarHBondContact N-O 3.29Å; L809-A817 PolarHBondContact O-N 2.95Å; L809-L855 HydrophobicContact CD2-CD2 3.8Å; L809-L859 HydrophobicContact CB-CD2 4.4Å; L809-I977 HydrophobicContact CD2-CG2 4Å; L809-P980 HydrophobicContact CD1-CB 4.14Å; L809-P980 HydrophobicContact CD1-CG 4.32Å
810	L	94.1	Very high	93.6	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	111.5	-179.9	-179.7	54.2	0	0	0	110.4	P596 E597 K598 G599 Y601 Y760 Y808 Y816	P596-L810 HydrophobicContact CB-CD1 3.93Å; P596-L810 HydrophobicContact CB-CD2 3.62Å; P596-L810 HydrophobicContact CB-CG 3.81Å; E597-L810 WeakPolarHBondContact O-CD2 3.5Å; K598-L810 WeakPolarHBondContact CA-O 3.4Å; G599-L810 PolarHBondContact N-O 2.9Å; G599-L810 PolarHBondContact O-N 3.44Å; Y601-L810 HydrophobicContact CE2-CB 4.38Å; Y760-L810 HydrophobicContact CD1-CD1 4.3Å; Y760-L810 HydrophobicContact CG-CD1 4.21Å; Y760-L810 HydrophobicContact CG-CD2 4.14Å; Y808-L810 HydrophobicContact CD1-CB 4.43Å; Y808-L810 HydrophobicContact CE1-CB 3.78Å; Y808-L810 HydrophobicContact CE1-CD2 4.2Å; Y808-L810 HydrophobicContact CE1-CG 4.45Å; L810-Y816 HydrophobicContact CD1-CD1 4.41Å
811	I	91	Very high	93.6	Very high	17 Å²	17	27.5 Å²	27.5	9%	0.087	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-51.7	-173.7	-56.6	171.2	0	0	0	110.3	K598 L809 R815 I836 R976 I977	K598-I811 VanDerWaalsContact CD-O 3.26Å; K598-I811 WeakPolarHBondContact CD-O 3.27Å; K598-I811 WeakPolarHBondContact CE-O 3.23Å; K598-I811 WeakPolarHBondContact CG-O 3.49Å; L809-I811 HydrophobicContact CD2-CD1 4.4Å; L809-I811 HydrophobicContact CD2-CG1 4.39Å; L809-I811 HydrophobicContact CG-CG1 4.17Å; I811-R815 HydrophobicContact CB-CB 4.4Å; I811-R815 WeakPolarHBondContact CB-O 2.8Å; I811-R815 PolarHBondContact N-O 2.89Å; I811-I836 HydrophobicContact CD1-CG2 3.99Å; I811-R976 HydrophobicContact CG2-CB 4Å; I811-R976 HydrophobicContact CG2-CG 4.46Å; I811-R976 WeakPolarHBondContact CG2-O 3.34Å; I811-I977 HydrophobicContact CD1-CG1 3.89Å
812	N	90.3	Very high	93.3	Very high	69 Å²	69	27.3 Å²	27.3	37%	0.369	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	178.9	-177.8	-153.7	-13.3	0	0	0	110.6	K814 R815	N812-K814 PolarHBondContact O-N 3.46Å; N812-R815 HydrophobicContact CB-CB 4.23Å; N812-R815 PolarHBondContact N-O 2.89Å; N812-R815 VanDerWaalsContact N-O 3.1Å; N812-R815 CarbonylContact O-C 3.49Å; N812-R815 PolarHBondContact O-N 3.43Å; N812-R815 VanDerWaalsContact O-O 3.05Å
813	K	90.7	Very high	92.7	Very high	76 Å²	76	29.1 Å²	29.1	33%	0.33	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	127.7	170.9	-66	-173.5	-178.1	-173.1	0	110	V593 E595 P596 R815	V593-K813 HydrophobicContact CB-CD 4.26Å; V593-K813 HydrophobicContact CG1-CB 4.22Å; V593-K813 HydrophobicContact CG1-CD 3.9Å; V593-K813 HydrophobicContact CG1-CG 3.91Å; E595-K813 VanDerWaalsContact CD-NZ 3.33Å; E595-K813 WeakPolarHBondContact OE1-CE 3.46Å; E595-K813 IonicContact OE1-NZ 3.24Å; E595-K813 PolarHBondContact OE1-NZ 3.48Å; E595-K813 WeakPolarHBondContact OE2-CE 3.31Å; E595-K813 IonicContact OE2-NZ 4Å; P596-K813 HydrophobicContact CG-CG 4.11Å; K813-R815 PolarHBondContact O-N 3.45Å; K813-R815 VanDerWaalsContact O-N 3.14Å
814	K	89.7	Confident	92.2	Very high	110 Å²	110	30.1 Å²	30.1	48%	0.478	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	21.2	-179.5	-46.8	-163.6	174.5	-154.1	0	114	Y760 D762 N812 G835	Y760-K814 PolarHBondContact OH-N 2.88Å; D762-K814 WeakPolarHBondContact OD1-CE 3.2Å; D762-K814 IonicContact OD1-NZ 2.93Å; D762-K814 PolarHBondContact OD1-NZ 3.06Å; D762-K814 WeakPolarHBondContact OD2-CE 3.38Å; D762-K814 IonicContact OD2-NZ 3.57Å; N812-K814 PolarHBondContact O-N 3.46Å; K814-G835 WeakPolarHBondContact O-CA 3.47Å
815	R	92.1	Very high	91.7	Very high	57 Å²	57	32 Å²	32	22%	0.215	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	99.4	-179.6	-66.1	-171.6	-177.5	-137.7	11.3	111.2	I811 N812 K813 K834 E837	I811-R815 HydrophobicContact CB-CB 4.4Å; I811-R815 WeakPolarHBondContact CB-O 2.8Å; I811-R815 PolarHBondContact N-O 2.89Å; N812-R815 HydrophobicContact CB-CB 4.23Å; N812-R815 PolarHBondContact N-O 2.89Å; N812-R815 VanDerWaalsContact N-O 3.1Å; N812-R815 CarbonylContact O-C 3.49Å; N812-R815 PolarHBondContact O-N 3.43Å; N812-R815 VanDerWaalsContact O-O 3.05Å; K813-R815 PolarHBondContact O-N 3.45Å; K813-R815 VanDerWaalsContact O-N 3.14Å; R815-K834 VanDerWaalsContact CA-O 3.25Å; R815-K834 WeakPolarHBondContact CA-O 3.23Å; R815-E837 IonicContact NH1-OE1 3.69Å; R815-E837 PolarHBondContact NH1-OE1 3.41Å
816	Y	93.8	Very high	91.3	Very high	19 Å²	19	38.7 Å²	38.7	8%	0.075	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	161.7	-179	54.6	-94.7	0	0	0	111.6	Y760 M767 Y805 Y808 L809 L810 K834	Y760-Y816 HydrophobicContact CD1-CD1 4.42Å; Y760-Y816 HydrophobicContact CD1-CE1 4.32Å; Y760-Y816 AromaticContact CE1-CD1 4Å; Y760-Y816 HydrophobicContact CE1-CD1 4Å; Y760-Y816 AromaticContact CE1-CE1 3.72Å; Y760-Y816 HydrophobicContact CE1-CE1 3.72Å; M767-Y816 HydrophobicContact CE-CD2 4.5Å; M767-Y816 HydrophobicContact CE-CE1 4.11Å; M767-Y816 HydrophobicContact CE-CE2 3.8Å; Y805-Y816 HydrophobicContact CE2-CE2 4.45Å; Y808-Y816 AromaticContact CE2-CD2 3.72Å; Y808-Y816 HydrophobicContact CE2-CD2 3.72Å; Y808-Y816 HydrophobicContact CE2-CG 4.07Å; Y808-Y816 WeakPolarHBondContact OH-CB 3.48Å; Y808-Y816 VanDerWaalsContact OH-CG 3.32Å; L809-Y816 CarbonylContact O-C 3.51Å; L809-Y816 WeakPolarHBondContact O-CA 3.11Å; L809-Y816 VanDerWaalsContact O-CB 3.32Å; L809-Y816 WeakPolarHBondContact O-CB 3.07Å; L810-Y816 HydrophobicContact CD1-CD1 4.41Å; Y816-K834 HydrophobicContact CD1-CB 4.18Å; Y816-K834 HydrophobicContact CD2-CB 4.03Å; Y816-K834 HydrophobicContact CD2-CG 3.92Å; Y816-K834 HydrophobicContact CE1-CB 3.89Å; Y816-K834 HydrophobicContact CE1-CG 4.11Å; Y816-K834 HydrophobicContact CE2-CB 3.76Å; Y816-K834 HydrophobicContact CE2-CG 3.26Å; Y816-K834 HydrophobicContact CG-CB 4.25Å; Y816-K834 PolarHBondContact N-O 2.81Å; Y816-K834 VanDerWaalsContact N-O 3.13Å; Y816-K834 PolarHBondContact O-N 2.92Å
817	A	95.4	Very high	90.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	151.8	174.5	0	0	0	0	0	111	Y808 L809 D832 I836 L855 L859	Y808-A817 WeakPolarHBondContact CD2-O 3.33Å; L809-A817 PolarHBondContact N-O 3.29Å; L809-A817 PolarHBondContact O-N 2.95Å; A817-D832 CarbonylContact C-O 3.47Å; A817-D832 WeakPolarHBondContact CA-O 3.28Å; A817-I836 HydrophobicContact CB-CD1 4.37Å; A817-L855 HydrophobicContact CB-CD1 4.19Å; A817-L855 HydrophobicContact CB-CD2 4.2Å; A817-L859 HydrophobicContact CB-CD1 4.11Å
818	G	95.1	Very high	90.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.6	163.8	175.9	0	0	0	0	0	112.8	P807 D832	P807-G818 VanDerWaalsContact O-CA 3.3Å; P807-G818 WeakPolarHBondContact O-CA 3.12Å; G818-D832 PolarHBondContact N-O 3.01Å; G818-D832 PolarHBondContact O-N 3.14Å
819	L	95.1	Very high	90.4	Very high	9 Å²	9	47.7 Å²	47.7	5%	0.047	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	125.6	172.2	-66.1	-173.5	0	0	0	110.2	Y805 Y806 P807 F821 H828 M831 L859 I860	Y805-L819 VanDerWaalsContact CA-O 3.28Å; Y805-L819 WeakPolarHBondContact CA-O 3.45Å; Y805-L819 WeakPolarHBondContact CD1-O 3.49Å; Y806-L819 PolarHBondContact N-O 3.04Å; Y806-L819 WeakPolarHBondContact O-CB 3.26Å; P807-L819 PolarHBondContact O-N 3.07Å; L819-F821 HydrophobicContact CB-CD2 4.46Å; L819-F821 HydrophobicContact CB-CE2 3.8Å; L819-F821 WeakPolarHBondContact O-CD2 3.31Å; L819-H828 HydrophobicContact CB-CB 4.29Å; L819-M831 HydrophobicContact CD2-CB 4.1Å; L819-M831 HydrophobicContact CD2-CG 4.36Å; L819-L859 WeakPolarHBondContact CD1-O 3.44Å; L819-L859 HydrophobicContact CD2-CB 4.41Å; L819-L859 HydrophobicContact CG-CB 4.28Å; L819-I860 HydrophobicContact CD1-CG1 4.32Å; L819-I860 HydrophobicContact CD2-CD1 4.49Å; L819-I860 HydrophobicContact CD2-CG1 3.79Å
820	Y	93.6	Very high	90.2	Very high	37 Å²	37	53.3 Å²	53.3	15%	0.145	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	119.4	-171.1	-171.2	-77.1	0	0	0	110.5	E802 K803 Y805 H828 D829 K830 D832	E802-Y820 PolarHBondContact OE1-OH 2.83Å; K803-Y820 HydrophobicContact CB-CE1 4.31Å; K803-Y820 HydrophobicContact CB-CE2 4.16Å; K803-Y820 HydrophobicContact CD-CD2 3.61Å; K803-Y820 HydrophobicContact CD-CE2 3.06Å; K803-Y820 HydrophobicContact CG-CE2 4.19Å; Y805-Y820 HydrophobicContact CE1-CD2 4.17Å; Y820-H828 CarbonylContact O-C 3.49Å; Y820-H828 WeakPolarHBondContact O-CA 3.4Å; Y820-D829 HydrophobicContact CD1-CB 4.01Å; Y820-D829 WeakPolarHBondContact CD1-OD2 3.21Å; Y820-D829 PolarHBondContact O-N 3.19Å; Y820-K830 WeakPolarHBondContact CB-O 3.44Å; Y820-K830 HydrophobicContact CG-CG 4.47Å; Y820-K830 PolarHBondContact N-O 3.27Å; Y820-D832 HydrophobicContact CD2-CB 4.21Å
821	F	94.1	Very high	90.2	Very high	16 Å²	16	55.1 Å²	55.1	7%	0.07	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	118.4	173.7	-65.3	-107.1	0	0	0	109.7	V775 M779 K803 V804 Y806 L819 H828	V775-F821 HydrophobicContact CG1-CB 4.03Å; V775-F821 HydrophobicContact CG1-CD1 4.04Å; V775-F821 HydrophobicContact CG1-CG 4.06Å; M779-F821 HydrophobicContact CE-CB 3.62Å; K803-F821 CarbonylContact C-O 3.58Å; K803-F821 VanDerWaalsContact CA-O 3.31Å; K803-F821 WeakPolarHBondContact CA-O 3.42Å; V804-F821 HydrophobicContact CB-CB 4.49Å; V804-F821 PolarHBondContact N-O 3.41Å; V804-F821 PolarHBondContact O-N 2.74Å; Y806-F821 VanDerWaalsContact O-CE2 3.28Å; Y806-F821 WeakPolarHBondContact O-CE2 3.4Å; L819-F821 HydrophobicContact CB-CD2 4.46Å; L819-F821 HydrophobicContact CB-CE2 3.8Å; L819-F821 WeakPolarHBondContact O-CD2 3.31Å; F821-H828 HydrophobicContact CD1-CB 4.23Å; F821-H828 HydrophobicContact CD2-CB 4.12Å; F821-H828 HydrophobicContact CE1-CB 3.86Å; F821-H828 HydrophobicContact CE2-CB 3.68Å; F821-H828 HydrophobicContact CG-CB 4.37Å; F821-H828 HydrophobicContact CZ-CB 3.57Å
822	S	87.4	Confident	90.3	Very high	32 Å²	32	54.9 Å²	54.9	22%	0.224	29%	0.285	C	S	.	.	S	Bend	trans	-116.3	-57.5	176.1	62.4	0	0	0	0	113.7	D829	S822-D829 WeakPolarHBondContact CB-OD2 3.19Å; S822-D829 PolarHBondContact N-OD2 2.93Å; S822-D829 PolarHBondContact OG-OD2 3.16Å
823	S	78.6	Confident	90.4	Very high	107 Å²	107	52.4 Å²	52.4	75%	0.748	27%	0.273	S	S	*	.	S	Bend	trans	-95.6	-31.4	-163.1	-55.5	0	0	0	0	113
824	S	83.8	Confident	90.4	Very high	34 Å²	34	52.4 Å²	52.4	24%	0.238	27%	0.274	C	S	.	.			trans	-131.3	140.9	179.3	176.6	0	0	0	0	110.3	D826	S824-D826 VanDerWaalsContact C-N 3.26Å; S824-D826 PolarHBondContact OG-N 2.81Å; S824-D826 VanDerWaalsContact OG-N 3.16Å
825	P	87.3	Confident	90.3	Very high	40 Å²	40	48.7 Å²	48.7	26%	0.26	27%	0.266	S	S	.	.	S	Bend	trans	-73.1	-18.1	171.6	31	-34.6	0	0	0	113.1	V775 K776 M779	V775-P825 HydrophobicContact CB-CB 4.38Å; V775-P825 HydrophobicContact CG1-CB 4.19Å; K776-P825 HydrophobicContact CB-CB 3.87Å; K776-P825 HydrophobicContact CB-CG 4.26Å; K776-P825 HydrophobicContact CG-CG 4.43Å; M779-P825 HydrophobicContact SD-CB 4.35Å
826	D	86.4	Confident	90.2	Very high	140 Å²	140	46 Å²	46	75%	0.749	26%	0.256	S	S	*	.	S	Bend	trans	-89.9	-27.5	-170.4	-56.4	-43.1	0	0	0	113.2	S824	S824-D826 VanDerWaalsContact C-N 3.26Å; S824-D826 PolarHBondContact OG-N 2.81Å; S824-D826 VanDerWaalsContact OG-N 3.16Å
827	T	88.1	Confident	89.9	Confident	84 Å²	84	45.7 Å²	45.7	52%	0.515	26%	0.256	S	S	.	.	S	Bend	trans	-129.6	128.2	-174.2	56.3	0	0	0	0	110.7
828	H	89.3	Confident	89.5	Confident	79 Å²	79	47 Å²	47	37%	0.366	26%	0.264	S	S	.	.			trans	-75.4	146.2	171.4	66.8	-87.1	0	0	0	110.5	L819 Y820 F821	L819-H828 HydrophobicContact CB-CB 4.29Å; Y820-H828 CarbonylContact O-C 3.49Å; Y820-H828 WeakPolarHBondContact O-CA 3.4Å; F821-H828 HydrophobicContact CD1-CB 4.23Å; F821-H828 HydrophobicContact CD2-CB 4.12Å; F821-H828 HydrophobicContact CE1-CB 3.86Å; F821-H828 HydrophobicContact CE2-CB 3.68Å; F821-H828 HydrophobicContact CG-CB 4.37Å; F821-H828 HydrophobicContact CZ-CB 3.57Å
829	D	88.6	Confident	88.9	Confident	76 Å²	76	51.1 Å²	51.1	41%	0.406	29%	0.289	S	S	.	.			trans	-82.1	-44	-179.8	-58	-47	0	0	0	111.2	Y820 S822	Y820-D829 HydrophobicContact CD1-CB 4.01Å; Y820-D829 WeakPolarHBondContact CD1-OD2 3.21Å; Y820-D829 PolarHBondContact O-N 3.19Å; S822-D829 WeakPolarHBondContact CB-OD2 3.19Å; S822-D829 PolarHBondContact N-OD2 2.93Å; S822-D829 PolarHBondContact OG-OD2 3.16Å
830	K	90.6	Very high	88.3	Confident	118 Å²	118	54.8 Å²	54.8	51%	0.513	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	167.7	-178.6	62	-174.3	176.6	-170.2	0	112.1	Y820	Y820-K830 WeakPolarHBondContact CB-O 3.44Å; Y820-K830 HydrophobicContact CG-CG 4.47Å; Y820-K830 PolarHBondContact N-O 3.27Å
831	M	93.1	Very high	87.7	Confident	38 Å²	38	56.1 Å²	56.1	19%	0.187	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	118	162.6	-172.2	170.9	66.2	0	0	109.5	L819 N852 L855 Q856 L859	L819-M831 HydrophobicContact CD2-CB 4.1Å; L819-M831 HydrophobicContact CD2-CG 4.36Å; M831-N852 WeakPolarHBondContact CE-OD1 3.47Å; M831-L855 HydrophobicContact CE-CB 4.09Å; M831-L855 HydrophobicContact SD-CB 3.78Å; M831-Q856 HydrophobicContact CE-CG 3.89Å; M831-Q856 HydrophobicContact SD-CG 4.36Å; M831-L859 HydrophobicContact CG-CD1 4.11Å; M831-L859 HydrophobicContact SD-CD1 3.86Å
832	D	92.6	Very high	87	Confident	11 Å²	11	58.7 Å²	58.7	6%	0.059	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	131.6	177	-164.5	15.3	0	0	0	110.1	Y805 A817 G818 Y820 K834	Y805-D832 HydrophobicContact CE1-CB 3.81Å; Y805-D832 PolarHBondContact OH-OD2 2.94Å; A817-D832 CarbonylContact C-O 3.47Å; A817-D832 WeakPolarHBondContact CA-O 3.28Å; G818-D832 PolarHBondContact N-O 3.01Å; G818-D832 PolarHBondContact O-N 3.14Å; Y820-D832 HydrophobicContact CD2-CB 4.21Å; D832-K834 VanDerWaalsContact CG-NZ 3.33Å; D832-K834 WeakPolarHBondContact OD1-CE 3.34Å; D832-K834 IonicContact OD1-NZ 3.65Å; D832-K834 PolarHBondContact OD1-NZ 3.36Å; D832-K834 WeakPolarHBondContact OD2-CE 3.46Å; D832-K834 IonicContact OD2-NZ 3.73Å; D832-K834 PolarHBondContact OD2-NZ 3.35Å; D832-K834 VanDerWaalsContact OD2-NZ 3.08Å
833	C	92.6	Very high	87	Confident	17 Å²	17	57.7 Å²	57.7	12%	0.115	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	110.1	-176.2	-69.4	0	0	0	0	108.9	I836 T838 V839	C833-I836 HydrophobicContact CB-CD1 3.61Å; C833-I836 HydrophobicContact CB-CG1 3.76Å; C833-T838 WeakPolarHBondContact CB-OG1 3.44Å; C833-V839 HydrophobicContact CB-CG1 4.1Å
834	K	90.9	Very high	87.4	Confident	77 Å²	77	52.6 Å²	52.6	34%	0.335	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	123.2	-179.4	-60.6	-53.1	-164	-145.1	0	111	R815 Y816 D832 I836	R815-K834 VanDerWaalsContact CA-O 3.25Å; R815-K834 WeakPolarHBondContact CA-O 3.23Å; Y816-K834 HydrophobicContact CD1-CB 4.18Å; Y816-K834 HydrophobicContact CD2-CB 4.03Å; Y816-K834 HydrophobicContact CD2-CG 3.92Å; Y816-K834 HydrophobicContact CE1-CB 3.89Å; Y816-K834 HydrophobicContact CE1-CG 4.11Å; Y816-K834 HydrophobicContact CE2-CB 3.76Å; Y816-K834 HydrophobicContact CE2-CG 3.26Å; Y816-K834 HydrophobicContact CG-CB 4.25Å; Y816-K834 PolarHBondContact N-O 2.81Å; Y816-K834 VanDerWaalsContact N-O 3.13Å; Y816-K834 PolarHBondContact O-N 2.92Å; D832-K834 VanDerWaalsContact CG-NZ 3.33Å; D832-K834 WeakPolarHBondContact OD1-CE 3.34Å; D832-K834 IonicContact OD1-NZ 3.65Å; D832-K834 PolarHBondContact OD1-NZ 3.36Å; D832-K834 WeakPolarHBondContact OD2-CE 3.46Å; D832-K834 IonicContact OD2-NZ 3.73Å; D832-K834 PolarHBondContact OD2-NZ 3.35Å; D832-K834 VanDerWaalsContact OD2-NZ 3.08Å; K834-I836 PolarHBondContact O-N 2.86Å
835	G	87.9	Confident	87.7	Confident	32 Å²	32	52.3 Å²	52.3	33%	0.33	28%	0.275	S	S	.	.	S	Bend	trans	64.6	0.6	172.1	0	0	0	0	0	116.7	K814	K814-G835 WeakPolarHBondContact O-CA 3.47Å
836	I	89.8	Confident	88	Confident	1 Å²	1	51 Å²	51	1%	0.005	27%	0.266	C	S	.	.	S	Bend	trans	-80.8	168	174.3	63.9	162.9	0	0	0	111.5	I811 A817 C833 K834 T838 V839 L855	I811-I836 HydrophobicContact CD1-CG2 3.99Å; A817-I836 HydrophobicContact CB-CD1 4.37Å; C833-I836 HydrophobicContact CB-CD1 3.61Å; C833-I836 HydrophobicContact CB-CG1 3.76Å; K834-I836 PolarHBondContact O-N 2.86Å; I836-T838 HydrophobicContact CD1-CG2 3.94Å; I836-T838 WeakPolarHBondContact CD1-OG1 3.5Å; I836-T838 WeakPolarHBondContact CG1-OG1 3.48Å; I836-T838 PolarHBondContact O-N 2.84Å; I836-T838 VanDerWaalsContact O-N 3.15Å; I836-V839 VanDerWaalsContact O-CG2 3.31Å; I836-V839 WeakPolarHBondContact O-CG2 3.2Å; I836-V839 PolarHBondContact O-N 3.49Å; I836-L855 HydrophobicContact CD1-CD1 3.36Å
837	E	88.7	Confident	88.3	Confident	12 Å²	12	44.3 Å²	44.3	6%	0.056	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-62.3	-22.1	-172.2	-74.9	74.8	-164.1	0	0	114.1	R815 V839 R840 N843 V847 P973 R976	R815-E837 IonicContact NH1-OE1 3.69Å; R815-E837 PolarHBondContact NH1-OE1 3.41Å; E837-V839 VanDerWaalsContact C-N 3.32Å; E837-V839 PolarHBondContact O-N 2.9Å; E837-R840 PolarHBondContact O-N 2.95Å; E837-N843 WeakPolarHBondContact CB-ND2 3.46Å; E837-N843 PolarHBondContact O-ND2 3.06Å; E837-V847 HydrophobicContact CB-CG1 4.04Å; E837-V847 HydrophobicContact CG-CG1 4.39Å; E837-P973 HydrophobicContact CB-CB 4.4Å; E837-P973 HydrophobicContact CG-CB 3.84Å; E837-P973 HydrophobicContact CG-CG 3.69Å; E837-R976 IonicContact OE1-CZ 3.6Å; E837-R976 IonicContact OE1-NH1 2.78Å; E837-R976 PolarHBondContact OE1-NH1 3.07Å
838	T	84.9	Confident	88.4	Confident	28 Å²	28	40.7 Å²	40.7	17%	0.172	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-64.2	-33.9	178.4	60.4	0	0	0	0	113.4	C833 I836 I851 N852 L855	C833-T838 WeakPolarHBondContact CB-OG1 3.44Å; I836-T838 HydrophobicContact CD1-CG2 3.94Å; I836-T838 WeakPolarHBondContact CD1-OG1 3.5Å; I836-T838 WeakPolarHBondContact CG1-OG1 3.48Å; I836-T838 PolarHBondContact O-N 2.84Å; I836-T838 VanDerWaalsContact O-N 3.15Å; T838-I851 HydrophobicContact CG2-CB 3.95Å; T838-I851 HydrophobicContact CG2-CG2 3.57Å; T838-N852 HydrophobicContact CG2-CB 4.06Å; T838-L855 HydrophobicContact CG2-CD1 4.46Å
839	V	82.8	Confident	88.5	Confident	86 Å²	86	40.6 Å²	40.6	52%	0.521	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-100.2	-0.9	-178.1	-62.8	0	0	0	0	113	C833 I836 E837	C833-V839 HydrophobicContact CB-CG1 4.1Å; I836-V839 VanDerWaalsContact O-CG2 3.31Å; I836-V839 WeakPolarHBondContact O-CG2 3.2Å; I836-V839 PolarHBondContact O-N 3.49Å; E837-V839 VanDerWaalsContact C-N 3.32Å; E837-V839 PolarHBondContact O-N 2.9Å
840	R	83.6	Confident	88.8	Confident	86 Å²	86	37.1 Å²	37.1	33%	0.325	19%	0.192	S	C	.	.			trans	-87.9	158	177.2	-72.3	-178.5	65.9	153.4	3.8	111.3	R477 E837 D842 N843	R477-R840 PolarHBondContact NH2-O 3.03Å; E837-R840 PolarHBondContact O-N 2.95Å; R840-D842 WeakPolarHBondContact CB-OD1 3.21Å; R840-D842 IonicContact CZ-OD1 3.15Å; R840-D842 IonicContact CZ-OD2 3.94Å; R840-D842 IonicContact NE-OD1 2.92Å; R840-D842 PolarHBondContact NE-OD1 2.77Å; R840-D842 IonicContact NE-OD2 2.74Å; R840-D842 IonicContact NH2-OD1 3.37Å; R840-D842 PolarHBondContact NH2-OD1 3.21Å; R840-D842 IonicContact NH2-OD2 3.75Å; R840-D842 PolarHBondContact NH2-OD2 2.95Å; R840-N843 PolarHBondContact O-OD1 3.31Å
841	R	81	Confident	88.9	Confident	64 Å²	64	31.6 Å²	31.6	24%	0.242	17%	0.168	C	C	.	.	S	Bend	trans	-118	3	-173.5	-61.8	-178.5	-72.4	170.8	-1.5	113.4	K475 L476 R477	K475-R841 VanDerWaalsContact CA-NH1 3.26Å; K475-R841 PolarHBondContact O-NH1 3.06Å; L476-R841 VanDerWaalsContact N-NH1 3.16Å; L476-R841 VanDerWaalsContact O-CD 3.25Å; L476-R841 WeakPolarHBondContact O-CD 3.5Å; L476-R841 PolarHBondContact O-NH1 3.16Å; R477-R841 HydrophobicContact CG-CB 4.29Å; R477-R841 HydrophobicContact CG-CG 3.88Å
842	D	79.5	Confident	88.9	Confident	71 Å²	71	32.5 Å²	32.5	38%	0.38	17%	0.174	S	C	.	.	S	Bend	trans	-101.6	7.3	-176.4	61.6	-42.9	0	0	0	113.5	R840	R840-D842 WeakPolarHBondContact CB-OD1 3.21Å; R840-D842 IonicContact CZ-OD1 3.15Å; R840-D842 IonicContact CZ-OD2 3.94Å; R840-D842 IonicContact NE-OD1 2.92Å; R840-D842 PolarHBondContact NE-OD1 2.77Å; R840-D842 IonicContact NE-OD2 2.74Å; R840-D842 IonicContact NH2-OD1 3.37Å; R840-D842 PolarHBondContact NH2-OD1 3.21Å; R840-D842 IonicContact NH2-OD2 3.75Å; R840-D842 PolarHBondContact NH2-OD2 2.95Å
843	N	85.9	Confident	89	Confident	10 Å²	10	33.9 Å²	33.9	5%	0.053	18%	0.183	C	C	.	.	S	Bend	trans	-116.3	163.8	177	55.8	19	0	0	0	111.2	R477 E837 R840 V847	R477-N843 PolarHBondContact NH2-OD1 3.03Å; E837-N843 WeakPolarHBondContact CB-ND2 3.46Å; E837-N843 PolarHBondContact O-ND2 3.06Å; R840-N843 PolarHBondContact O-OD1 3.31Å; N843-V847 HydrophobicContact CB-CB 4.29Å; N843-V847 HydrophobicContact CB-CG1 4.49Å
844	C	88.5	Confident	89	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.177	C	C	.	.			trans	-73.2	152.9	173.5	65.4	0	0	0	0	111.4	L846 V847 Q887 V889 I890 Y965	C844-L846 PolarHBondContact O-N 2.64Å; C844-V847 PolarHBondContact O-N 2.81Å; C844-V847 VanDerWaalsContact O-N 3.14Å; C844-Q887 VanDerWaalsContact CB-O 3.3Å; C844-Q887 WeakPolarHBondContact CB-O 3.08Å; C844-V889 WeakPolarHBondContact CA-O 3.39Å; C844-I890 HydrophobicContact CB-CG1 4.08Å; C844-Y965 HydrophobicContact CB-CE1 4.37Å
845	P	89.4	Confident	89.2	Confident	29 Å²	29	29.5 Å²	29.5	19%	0.188	16%	0.162	C	C	.	.	H	α-helix	trans	-52.7	-34.7	177.6	-26.2	32.3	0	0	0	114.2	V847 A848 N849 Q887 V889	P845-V847 VanDerWaalsContact C-N 3.28Å; P845-V847 PolarHBondContact O-N 3.43Å; P845-A848 PolarHBondContact O-N 2.85Å; P845-A848 VanDerWaalsContact O-N 3.16Å; P845-N849 WeakPolarHBondContact O-CB 3.42Å; P845-N849 VanDerWaalsContact O-CG 3.3Å; P845-N849 PolarHBondContact O-N 2.93Å; P845-N849 PolarHBondContact O-ND2 3.02Å; P845-Q887 WeakPolarHBondContact CD-O 3.43Å; P845-V889 WeakPolarHBondContact CD-O 3.44Å
846	L	92.8	Very high	89.5	Confident	12 Å²	12	31.5 Å²	31.5	6%	0.063	16%	0.162	C	C	.	.	H	α-helix	trans	-53.2	-45	177.5	-172.7	68.1	0	0	0	112.2	C844 L850 V874 L878 I883 Q887 L888 L970	C844-L846 PolarHBondContact O-N 2.64Å; L846-L850 WeakPolarHBondContact O-CB 3.4Å; L846-L850 PolarHBondContact O-N 2.99Å; L846-V874 HydrophobicContact CD1-CG1 3.97Å; L846-V874 HydrophobicContact CG-CG1 4.41Å; L846-L878 HydrophobicContact CD2-CD1 4.26Å; L846-I883 HydrophobicContact CD1-CD1 4.07Å; L846-I883 HydrophobicContact CD1-CG2 4.07Å; L846-I883 HydrophobicContact CD2-CG2 4.22Å; L846-Q887 HydrophobicContact CB-CB 4.02Å; L846-Q887 VanDerWaalsContact CB-O 3.25Å; L846-Q887 WeakPolarHBondContact CB-O 3.43Å; L846-Q887 HydrophobicContact CD1-CB 4.27Å; L846-Q887 PolarHBondContact N-O 2.78Å; L846-L888 HydrophobicContact CD2-CD2 3.86Å; L846-L970 HydrophobicContact CD2-CD1 4.22Å; L846-L970 HydrophobicContact CD2-CD2 4.41Å; L846-L970 HydrophobicContact CG-CD2 4.48Å
847	V	92.9	Very high	89.7	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.8	-48.4	-179.3	177.4	0	0	0	0	109.9	E837 N843 C844 P845 N849 L850 I851 Q969 L970 P973	E837-V847 HydrophobicContact CB-CG1 4.04Å; E837-V847 HydrophobicContact CG-CG1 4.39Å; N843-V847 HydrophobicContact CB-CB 4.29Å; N843-V847 HydrophobicContact CB-CG1 4.49Å; C844-V847 PolarHBondContact O-N 2.81Å; C844-V847 VanDerWaalsContact O-N 3.14Å; P845-V847 VanDerWaalsContact C-N 3.28Å; P845-V847 PolarHBondContact O-N 3.43Å; V847-N849 VanDerWaalsContact C-N 3.34Å; V847-N849 PolarHBondContact O-N 2.97Å; V847-L850 PolarHBondContact O-N 3.46Å; V847-I851 HydrophobicContact CG1-CG1 4.28Å; V847-I851 WeakPolarHBondContact O-CB 3.42Å; V847-I851 VanDerWaalsContact O-CG1 3.26Å; V847-I851 WeakPolarHBondContact O-CG1 3.44Å; V847-I851 PolarHBondContact O-N 3.33Å; V847-Q969 HydrophobicContact CG2-CB 3.81Å; V847-L970 HydrophobicContact CB-CD2 4.46Å; V847-L970 HydrophobicContact CG2-CD2 3.8Å; V847-L970 HydrophobicContact CG2-CG 4.45Å; V847-P973 HydrophobicContact CG1-CB 4.24Å; V847-P973 HydrophobicContact CG1-CG 4.05Å
848	A	90.9	Very high	89.8	Confident	8 Å²	8	33.1 Å²	33.1	7%	0.066	17%	0.169	C	C	.	.	H	α-helix	trans	-61.8	-43.9	-179	0	0	0	0	0	111.4	P845 N852	P845-A848 PolarHBondContact O-N 2.85Å; P845-A848 VanDerWaalsContact O-N 3.16Å; A848-N852 VanDerWaalsContact O-CB 3.22Å; A848-N852 WeakPolarHBondContact O-CB 3.21Å; A848-N852 PolarHBondContact O-N 2.98Å
849	N	91.8	Very high	90.2	Very high	76 Å²	76	31.8 Å²	31.8	41%	0.406	16%	0.161	S	C	.	.	H	α-helix	trans	-66.1	-48.5	179.1	-69.4	-17.3	0	0	0	111.6	P845 V847 I851 N852 T853 Q887	P845-N849 WeakPolarHBondContact O-CB 3.42Å; P845-N849 VanDerWaalsContact O-CG 3.3Å; P845-N849 PolarHBondContact O-N 2.93Å; P845-N849 PolarHBondContact O-ND2 3.02Å; V847-N849 VanDerWaalsContact C-N 3.34Å; V847-N849 PolarHBondContact O-N 2.97Å; N849-I851 PolarHBondContact O-N 3.35Å; N849-N852 PolarHBondContact O-N 3.01Å; N849-T853 PolarHBondContact O-N 3.06Å; N849-T853 PolarHBondContact O-OG1 3.46Å; N849-T853 VanDerWaalsContact O-OG1 3.1Å; N849-Q887 PolarHBondContact ND2-OE1 3.39Å
850	L	93.8	Very high	90.7	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	16%	0.155	C	C	.	.	H	α-helix	trans	-58.4	-49.8	177.9	174.9	62	0	0	0	111.3	L846 V847 N852 T853 C854 A871 V874 L970 L974	L846-L850 WeakPolarHBondContact O-CB 3.4Å; L846-L850 PolarHBondContact O-N 2.99Å; V847-L850 PolarHBondContact O-N 3.46Å; L850-N852 VanDerWaalsContact C-N 3.3Å; L850-N852 PolarHBondContact O-N 3.15Å; L850-T853 PolarHBondContact O-N 2.81Å; L850-C854 WeakPolarHBondContact O-CB 3.24Å; L850-C854 PolarHBondContact O-N 3.14Å; L850-C854 PolarHBondContact O-SG 3.4Å; L850-A871 HydrophobicContact CD1-CB 4.35Å; L850-V874 HydrophobicContact CD1-CB 4.12Å; L850-V874 HydrophobicContact CD1-CG1 4.35Å; L850-V874 HydrophobicContact CD1-CG2 4.02Å; L850-V874 HydrophobicContact CD2-CG1 4.22Å; L850-L970 HydrophobicContact CD2-CD2 3.68Å; L850-L974 HydrophobicContact CD2-CD1 3.96Å; L850-L974 HydrophobicContact CD2-CD2 3.85Å; L850-L974 HydrophobicContact CD2-CG 4.21Å; L850-L974 HydrophobicContact CG-CD2 4.19Å
851	I	93.4	Very high	91.1	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-62.8	-40.2	179.8	-66.6	-40	0	0	0	111	T838 V847 N849 C854 L855 P973 L974 I977	T838-I851 HydrophobicContact CG2-CB 3.95Å; T838-I851 HydrophobicContact CG2-CG2 3.57Å; V847-I851 HydrophobicContact CG1-CG1 4.28Å; V847-I851 WeakPolarHBondContact O-CB 3.42Å; V847-I851 VanDerWaalsContact O-CG1 3.26Å; V847-I851 WeakPolarHBondContact O-CG1 3.44Å; V847-I851 PolarHBondContact O-N 3.33Å; N849-I851 PolarHBondContact O-N 3.35Å; I851-C854 PolarHBondContact O-N 2.95Å; I851-L855 HydrophobicContact CG2-CD1 3.84Å; I851-L855 HydrophobicContact CG2-CG 4.27Å; I851-L855 WeakPolarHBondContact O-CB 3.45Å; I851-L855 VanDerWaalsContact O-CG 3.27Å; I851-L855 WeakPolarHBondContact O-CG 3.18Å; I851-L855 PolarHBondContact O-N 3.24Å; I851-P973 HydrophobicContact CD1-CB 4.07Å; I851-P973 HydrophobicContact CG1-CB 4.11Å; I851-L974 HydrophobicContact CD1-CD2 3.71Å; I851-L974 HydrophobicContact CD1-CG 4.13Å; I851-I977 HydrophobicContact CB-CD1 4.32Å; I851-I977 HydrophobicContact CD1-CD1 4.01Å; I851-I977 HydrophobicContact CG1-CD1 4.31Å; I851-I977 HydrophobicContact CG2-CD1 3.24Å
852	N	93.4	Very high	91.5	Very high	56 Å²	56	35.7 Å²	35.7	30%	0.299	18%	0.176	S	C	.	.	H	α-helix	trans	-61.4	-49.1	177.4	-169.6	26.6	0	0	0	111.3	M831 T838 A848 N849 L850 L855 Q856	M831-N852 WeakPolarHBondContact CE-OD1 3.47Å; T838-N852 HydrophobicContact CG2-CB 4.06Å; A848-N852 VanDerWaalsContact O-CB 3.22Å; A848-N852 WeakPolarHBondContact O-CB 3.21Å; A848-N852 PolarHBondContact O-N 2.98Å; N849-N852 PolarHBondContact O-N 3.01Å; L850-N852 VanDerWaalsContact C-N 3.3Å; L850-N852 PolarHBondContact O-N 3.15Å; N852-L855 PolarHBondContact O-N 3.26Å; N852-Q856 WeakPolarHBondContact O-CG 3.4Å; N852-Q856 PolarHBondContact O-N 3.4Å
853	T	94.1	Very high	91.9	Very high	41 Å²	41	35.4 Å²	35.4	25%	0.252	18%	0.175	S	C	.	.	H	α-helix	trans	-62.8	-44.5	177.7	-53.6	0	0	0	0	111.5	N849 L850 L855 Q856 K857	N849-T853 PolarHBondContact O-N 3.06Å; N849-T853 PolarHBondContact O-OG1 3.46Å; N849-T853 VanDerWaalsContact O-OG1 3.1Å; L850-T853 PolarHBondContact O-N 2.81Å; T853-L855 VanDerWaalsContact C-N 3.31Å; T853-L855 PolarHBondContact O-N 3.27Å; T853-Q856 PolarHBondContact O-N 3.29Å; T853-K857 WeakPolarHBondContact O-CG 3.49Å; T853-K857 PolarHBondContact O-N 2.97Å
854	C	93.9	Very high	91.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58.7	-43.1	175.2	-70.4	0	0	0	0	111.5	L850 I851 K857 I858 A867 F978	L850-C854 WeakPolarHBondContact O-CB 3.24Å; L850-C854 PolarHBondContact O-N 3.14Å; L850-C854 PolarHBondContact O-SG 3.4Å; I851-C854 PolarHBondContact O-N 2.95Å; C854-K857 PolarHBondContact O-N 3.13Å; C854-I858 WeakPolarHBondContact O-CB 3.37Å; C854-I858 WeakPolarHBondContact O-CD1 3.47Å; C854-I858 WeakPolarHBondContact O-CG1 3.38Å; C854-I858 PolarHBondContact O-N 3.3Å; C854-A867 HydrophobicContact CB-CB 4.39Å; C854-F978 HydrophobicContact CB-CE2 4.39Å; C854-F978 HydrophobicContact CB-CZ 4.26Å
855	L	93.9	Very high	91.7	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-66.9	-37.7	177	-73.6	172.2	0	0	0	112.6	L809 A817 M831 I836 T838 I851 N852 T853 I858 L859 I977	L809-L855 HydrophobicContact CD2-CD2 3.8Å; A817-L855 HydrophobicContact CB-CD1 4.19Å; A817-L855 HydrophobicContact CB-CD2 4.2Å; M831-L855 HydrophobicContact CE-CB 4.09Å; M831-L855 HydrophobicContact SD-CB 3.78Å; I836-L855 HydrophobicContact CD1-CD1 3.36Å; T838-L855 HydrophobicContact CG2-CD1 4.46Å; I851-L855 HydrophobicContact CG2-CD1 3.84Å; I851-L855 HydrophobicContact CG2-CG 4.27Å; I851-L855 WeakPolarHBondContact O-CB 3.45Å; I851-L855 VanDerWaalsContact O-CG 3.27Å; I851-L855 WeakPolarHBondContact O-CG 3.18Å; I851-L855 PolarHBondContact O-N 3.24Å; N852-L855 PolarHBondContact O-N 3.26Å; T853-L855 VanDerWaalsContact C-N 3.31Å; T853-L855 PolarHBondContact O-N 3.27Å; L855-I858 PolarHBondContact O-N 3.38Å; L855-L859 HydrophobicContact CB-CD1 4.36Å; L855-L859 HydrophobicContact CD2-CD1 4.21Å; L855-L859 WeakPolarHBondContact O-CB 3.47Å; L855-L859 WeakPolarHBondContact O-CG 3.5Å; L855-L859 PolarHBondContact O-N 3.4Å; L855-I977 HydrophobicContact CD1-CD1 4.41Å; L855-I977 HydrophobicContact CD2-CD1 4.29Å; L855-I977 HydrophobicContact CD2-CG2 4Å; L855-I977 HydrophobicContact CG-CD1 4.3Å
856	Q	94.2	Very high	91.8	Very high	74 Å²	74	41.2 Å²	41.2	35%	0.346	21%	0.206	S	C	.	.	H	α-helix	trans	-60.8	-46.5	173.1	-72.7	176.5	-8.4	0	0	110.9	M831 N852 T853 I858 I860 E861	M831-Q856 HydrophobicContact CE-CG 3.89Å; M831-Q856 HydrophobicContact SD-CG 4.36Å; N852-Q856 WeakPolarHBondContact O-CG 3.4Å; N852-Q856 PolarHBondContact O-N 3.4Å; T853-Q856 PolarHBondContact O-N 3.29Å; Q856-I858 PolarHBondContact O-N 3.43Å; Q856-I860 HydrophobicContact CB-CD1 4.2Å; Q856-I860 HydrophobicContact CG-CD1 4.04Å; Q856-I860 WeakPolarHBondContact O-CA 3.29Å; Q856-I860 WeakPolarHBondContact O-CB 3.41Å; Q856-I860 PolarHBondContact O-N 3.39Å; Q856-E861 PolarHBondContact O-N 3.4Å; Q856-E861 VanDerWaalsContact O-N 3.15Å
857	K	93.7	Very high	91.7	Very high	46 Å²	46	40.6 Å²	40.6	20%	0.2	20%	0.203	C	C	.	.	H	α-helix	trans	-61.5	-41.9	176.3	-68.1	-165.1	163.6	-64.2	0	112.6	T853 C854 E861 R862 D863 A867 H870	T853-K857 WeakPolarHBondContact O-CG 3.49Å; T853-K857 PolarHBondContact O-N 2.97Å; C854-K857 PolarHBondContact O-N 3.13Å; K857-E861 IonicContact NZ-OE1 2.91Å; K857-E861 PolarHBondContact NZ-OE1 2.85Å; K857-E861 IonicContact NZ-OE2 3.73Å; K857-E861 PolarHBondContact NZ-OE2 2.82Å; K857-E861 CarbonylContact O-C 3.58Å; K857-E861 WeakPolarHBondContact O-CB 3.37Å; K857-R862 PolarHBondContact O-N 3.28Å; K857-D863 PolarHBondContact O-N 3.27Å; K857-A867 HydrophobicContact CB-CB 3.82Å; K857-H870 HydrophobicContact CD-CB 4.49Å
858	I	91.3	Very high	91.6	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-71.9	-46.6	-179.9	-68.6	162.2	0	0	0	112	Y600 C854 L855 Q856 R862 A867 I977 F978 I981	Y600-I858 HydrophobicContact CE2-CG2 4.08Å; C854-I858 WeakPolarHBondContact O-CB 3.37Å; C854-I858 WeakPolarHBondContact O-CD1 3.47Å; C854-I858 WeakPolarHBondContact O-CG1 3.38Å; C854-I858 PolarHBondContact O-N 3.3Å; L855-I858 PolarHBondContact O-N 3.38Å; Q856-I858 PolarHBondContact O-N 3.43Å; I858-R862 WeakPolarHBondContact O-CA 3.27Å; I858-A867 HydrophobicContact CD1-CB 4.15Å; I858-A867 HydrophobicContact CG1-CB 3.8Å; I858-I977 HydrophobicContact CD1-CG2 3.94Å; I858-F978 HydrophobicContact CD1-CD1 4.5Å; I858-F978 HydrophobicContact CD1-CE1 3.95Å; I858-F978 HydrophobicContact CD1-CZ 4.16Å; I858-I981 HydrophobicContact CD1-CD1 3.84Å; I858-I981 HydrophobicContact CG1-CD1 4.26Å; I858-I981 HydrophobicContact CG2-CD1 3.73Å
859	L	92.7	Very high	91.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-92.3	-37.4	-168.8	-59.8	175.4	0	0	0	113	Y600 P807 L809 A817 L819 M831 L855	Y600-L859 HydrophobicContact CE2-CD2 4.03Å; P807-L859 HydrophobicContact CB-CD2 4.34Å; P807-L859 VanDerWaalsContact CD-O 3.32Å; P807-L859 WeakPolarHBondContact CD-O 3.13Å; P807-L859 HydrophobicContact CG-CB 4.12Å; P807-L859 HydrophobicContact CG-CD2 3.75Å; P807-L859 WeakPolarHBondContact CG-O 3.45Å; L809-L859 HydrophobicContact CB-CD2 4.4Å; A817-L859 HydrophobicContact CB-CD1 4.11Å; L819-L859 WeakPolarHBondContact CD1-O 3.44Å; L819-L859 HydrophobicContact CD2-CB 4.41Å; L819-L859 HydrophobicContact CG-CB 4.28Å; M831-L859 HydrophobicContact CG-CD1 4.11Å; M831-L859 HydrophobicContact SD-CD1 3.86Å; L855-L859 HydrophobicContact CB-CD1 4.36Å; L855-L859 HydrophobicContact CD2-CD1 4.21Å; L855-L859 WeakPolarHBondContact O-CB 3.47Å; L855-L859 WeakPolarHBondContact O-CG 3.5Å; L855-L859 PolarHBondContact O-N 3.4Å
860	I	93.1	Very high	91.7	Very high	77 Å²	77	42.3 Å²	42.3	40%	0.395	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-59.4	-178.6	-55.6	173.4	0	0	0	110.1	L819 Q856 R862	L819-I860 HydrophobicContact CD1-CG1 4.32Å; L819-I860 HydrophobicContact CD2-CD1 4.49Å; L819-I860 HydrophobicContact CD2-CG1 3.79Å; Q856-I860 HydrophobicContact CB-CD1 4.2Å; Q856-I860 HydrophobicContact CG-CD1 4.04Å; Q856-I860 WeakPolarHBondContact O-CA 3.29Å; Q856-I860 WeakPolarHBondContact O-CB 3.41Å; Q856-I860 PolarHBondContact O-N 3.39Å; I860-R862 VanDerWaalsContact C-N 3.26Å; I860-R862 PolarHBondContact O-N 2.93Å
861	E	92.8	Very high	91.6	Very high	107 Å²	107	42.1 Å²	42.1	50%	0.5	21%	0.209	S	C	.	.	S	Bend	trans	-74.9	-18.6	-176.6	-57.8	172.7	-158.2	0	0	112.2	Q856 K857 D863	Q856-E861 PolarHBondContact O-N 3.4Å; Q856-E861 VanDerWaalsContact O-N 3.15Å; K857-E861 IonicContact NZ-OE1 2.91Å; K857-E861 PolarHBondContact NZ-OE1 2.85Å; K857-E861 IonicContact NZ-OE2 3.73Å; K857-E861 PolarHBondContact NZ-OE2 2.82Å; K857-E861 CarbonylContact O-C 3.58Å; K857-E861 WeakPolarHBondContact O-CB 3.37Å; E861-D863 HydrophobicContact CB-CB 4.47Å; E861-D863 PolarHBondContact O-N 3.02Å
862	R	88.7	Confident	91.5	Very high	134 Å²	134	44.5 Å²	44.5	51%	0.506	22%	0.219	S	C	.	.			trans	56.3	35.1	-175	-56.9	-177.5	177.1	-167.8	-3.1	113	Y806 K857 I858 I860 P864	Y806-R862 PolarHBondContact OH-NH1 2.77Å; Y806-R862 PolarHBondContact OH-NH2 2.96Å; Y806-R862 VanDerWaalsContact OH-NH2 3.16Å; K857-R862 PolarHBondContact O-N 3.28Å; I858-R862 WeakPolarHBondContact O-CA 3.27Å; I860-R862 VanDerWaalsContact C-N 3.26Å; I860-R862 PolarHBondContact O-N 2.93Å; R862-P864 WeakPolarHBondContact O-CD 3.18Å
863	D	88.4	Confident	91.4	Very high	66 Å²	66	47.1 Å²	47.1	35%	0.353	23%	0.23	S	C	.	.			trans	-119.2	87.4	179	-179	13.7	0	0	0	111.6	K857 E861 Q865 G866 A867	K857-D863 PolarHBondContact O-N 3.27Å; E861-D863 HydrophobicContact CB-CB 4.47Å; E861-D863 PolarHBondContact O-N 3.02Å; D863-Q865 PolarHBondContact O-N 2.89Å; D863-Q865 PolarHBondContact OD1-N 3.26Å; D863-G866 VanDerWaalsContact CG-N 3.25Å; D863-G866 PolarHBondContact OD1-N 3.49Å; D863-G866 VanDerWaalsContact OD2-CA 3.28Å; D863-G866 WeakPolarHBondContact OD2-CA 3.09Å; D863-G866 PolarHBondContact OD2-N 3.42Å; D863-A867 PolarHBondContact O-N 3.47Å
864	P	85.4	Confident	91.3	Very high	45 Å²	45	46 Å²	46	29%	0.292	22%	0.222	S	C	.	.	H	α-helix	trans	-63.4	-27.5	174.1	-22.5	34	0	0	0	113.6	R862 A867 V868 I981	R862-P864 WeakPolarHBondContact O-CD 3.18Å; P864-A867 WeakPolarHBondContact O-CB 3.42Å; P864-A867 PolarHBondContact O-N 3.03Å; P864-V868 WeakPolarHBondContact O-CG2 3.26Å; P864-V868 PolarHBondContact O-N 3.04Å; P864-I981 HydrophobicContact CB-CG2 4.15Å; P864-I981 HydrophobicContact CG-CG2 4.27Å
865	Q	86.4	Confident	91.2	Very high	101 Å²	101	46 Å²	46	47%	0.472	22%	0.222	S	C	.	.	H	α-helix	trans	-74.7	-44.6	-177.9	-174.3	54.9	52	0	0	110.3	D863 A867 V868 D869	D863-Q865 PolarHBondContact O-N 2.89Å; D863-Q865 PolarHBondContact OD1-N 3.26Å; Q865-A867 PolarHBondContact O-N 3.13Å; Q865-V868 WeakPolarHBondContact O-CB 2.94Å; Q865-V868 PolarHBondContact O-N 3.02Å; Q865-D869 PolarHBondContact NE2-OD1 2.8Å; Q865-D869 PolarHBondContact NE2-OD2 3.45Å; Q865-D869 VanDerWaalsContact NE2-OD2 3.13Å; Q865-D869 PolarHBondContact O-N 2.88Å
866	G	90.6	Very high	90.9	Very high	14 Å²	14	47 Å²	47	14%	0.144	23%	0.23	C	C	.	.	H	α-helix	trans	-58.6	-33.5	170.5	0	0	0	0	0	112.9	D863 H870	D863-G866 VanDerWaalsContact CG-N 3.25Å; D863-G866 PolarHBondContact OD1-N 3.49Å; D863-G866 VanDerWaalsContact OD2-CA 3.28Å; D863-G866 WeakPolarHBondContact OD2-CA 3.09Å; D863-G866 PolarHBondContact OD2-N 3.42Å; G866-H870 WeakPolarHBondContact O-CB 3.3Å; G866-H870 PolarHBondContact O-N 3.24Å
867	A	91.2	Very high	90.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-67.5	-39.7	173	0	0	0	0	0	112.8	C854 K857 I858 D863 P864 Q865 A871 F978	C854-A867 HydrophobicContact CB-CB 4.39Å; K857-A867 HydrophobicContact CB-CB 3.82Å; I858-A867 HydrophobicContact CD1-CB 4.15Å; I858-A867 HydrophobicContact CG1-CB 3.8Å; D863-A867 PolarHBondContact O-N 3.47Å; P864-A867 WeakPolarHBondContact O-CB 3.42Å; P864-A867 PolarHBondContact O-N 3.03Å; Q865-A867 PolarHBondContact O-N 3.13Å; A867-A871 WeakPolarHBondContact O-CB 3.43Å; A867-A871 PolarHBondContact O-N 2.89Å; A867-F978 HydrophobicContact CB-CE1 3.96Å; A867-F978 HydrophobicContact CB-CZ 3.79Å
868	V	90.2	Very high	90.5	Very high	1 Å²	1	43 Å²	43	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-64.4	-45.7	174.6	166.1	0	0	0	0	110.9	P864 Q865 A871 K872 F978 L982 V990 L991	P864-V868 WeakPolarHBondContact O-CG2 3.26Å; P864-V868 PolarHBondContact O-N 3.04Å; Q865-V868 WeakPolarHBondContact O-CB 2.94Å; Q865-V868 PolarHBondContact O-N 3.02Å; V868-A871 PolarHBondContact O-N 3.2Å; V868-K872 HydrophobicContact CG1-CD 4.2Å; V868-K872 HydrophobicContact CG1-CG 4.48Å; V868-K872 WeakPolarHBondContact O-CG 3.4Å; V868-K872 PolarHBondContact O-N 3.26Å; V868-F978 HydrophobicContact CG2-CD1 4.03Å; V868-F978 HydrophobicContact CG2-CE1 3.66Å; V868-F978 HydrophobicContact CG2-CZ 4.32Å; V868-L982 HydrophobicContact CG2-CD1 3.85Å; V868-V990 HydrophobicContact CG1-CG1 3.58Å; V868-L991 HydrophobicContact CB-CD2 4.47Å; V868-L991 HydrophobicContact CG1-CD2 4.13Å; V868-L991 HydrophobicContact CG2-CD2 4.33Å
869	D	91.3	Very high	90.4	Very high	76 Å²	76	43 Å²	43	41%	0.406	21%	0.213	S	C	.	.	H	α-helix	trans	-67.5	-39.6	-176.8	-65.5	-30.9	0	0	0	111.2	Q865 A871 K872 E873	Q865-D869 PolarHBondContact NE2-OD1 2.8Å; Q865-D869 PolarHBondContact NE2-OD2 3.45Å; Q865-D869 VanDerWaalsContact NE2-OD2 3.13Å; Q865-D869 PolarHBondContact O-N 2.88Å; D869-A871 PolarHBondContact O-N 3.48Å; D869-K872 PolarHBondContact O-N 3.17Å; D869-K872 IonicContact OD1-NZ 3.7Å; D869-E873 WeakPolarHBondContact O-CB 3.45Å; D869-E873 PolarHBondContact O-N 2.8Å
870	H	93.1	Very high	89.9	Confident	43 Å²	43	44 Å²	44	20%	0.199	22%	0.22	C	C	.	.	H	α-helix	trans	-61.3	-42.9	170.6	-176	58.4	0	0	0	112.5	K857 G866 K872 E873 V874	K857-H870 HydrophobicContact CD-CB 4.49Å; G866-H870 WeakPolarHBondContact O-CB 3.3Å; G866-H870 PolarHBondContact O-N 3.24Å; H870-K872 VanDerWaalsContact C-N 3.33Å; H870-K872 PolarHBondContact O-N 3.46Å; H870-E873 IonicContact ND1-OE2 3.32Å; H870-E873 WeakPolarHBondContact O-CB 3.37Å; H870-E873 PolarHBondContact O-N 3.35Å; H870-V874 WeakPolarHBondContact O-CG2 3.28Å; H870-V874 PolarHBondContact O-N 3.4Å
871	A	92.1	Very high	89.4	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.7	-40	176.5	0	0	0	0	0	112.2	L850 A867 V868 D869 V874 I875 L974 L991	L850-A871 HydrophobicContact CD1-CB 4.35Å; A867-A871 WeakPolarHBondContact O-CB 3.43Å; A867-A871 PolarHBondContact O-N 2.89Å; V868-A871 PolarHBondContact O-N 3.2Å; D869-A871 PolarHBondContact O-N 3.48Å; A871-V874 PolarHBondContact O-N 3.44Å; A871-I875 WeakPolarHBondContact O-CB 3.48Å; A871-I875 WeakPolarHBondContact O-CD1 3.45Å; A871-I875 WeakPolarHBondContact O-CG1 3.35Å; A871-I875 PolarHBondContact O-N 3.2Å; A871-L974 HydrophobicContact CB-CD2 4.21Å; A871-L991 HydrophobicContact CB-CD2 3.95Å
872	K	90.8	Very high	88.8	Confident	52 Å²	52	44.3 Å²	44.3	23%	0.226	21%	0.214	C	C	.	.	H	α-helix	trans	-64.3	-41.5	175.3	-71.5	175.8	178.1	169	0	112.2	V868 D869 H870 I875 S876 V990 H996	V868-K872 HydrophobicContact CG1-CD 4.2Å; V868-K872 HydrophobicContact CG1-CG 4.48Å; V868-K872 WeakPolarHBondContact O-CG 3.4Å; V868-K872 PolarHBondContact O-N 3.26Å; D869-K872 PolarHBondContact O-N 3.17Å; D869-K872 IonicContact OD1-NZ 3.7Å; H870-K872 VanDerWaalsContact C-N 3.33Å; H870-K872 PolarHBondContact O-N 3.46Å; K872-I875 PolarHBondContact O-N 3.01Å; K872-S876 WeakPolarHBondContact O-CB 3.45Å; K872-S876 PolarHBondContact O-N 3.07Å; K872-V990 WeakPolarHBondContact CE-O 3.45Å; K872-H996 HydrophobicContact CB-CB 4.38Å
873	E	91.1	Very high	88.7	Confident	111 Å²	111	39.3 Å²	39.3	52%	0.519	20%	0.197	S	C	.	.	H	α-helix	trans	-59	-50.9	175.6	-177.7	-179.1	-156.6	0	0	110.9	D869 H870 I875 S876 D877	D869-E873 WeakPolarHBondContact O-CB 3.45Å; D869-E873 PolarHBondContact O-N 2.8Å; H870-E873 IonicContact ND1-OE2 3.32Å; H870-E873 WeakPolarHBondContact O-CB 3.37Å; H870-E873 PolarHBondContact O-N 3.35Å; E873-I875 VanDerWaalsContact C-N 3.32Å; E873-I875 PolarHBondContact O-N 2.94Å; E873-S876 WeakPolarHBondContact O-CB 3.47Å; E873-S876 PolarHBondContact O-N 3.3Å; E873-S876 VanDerWaalsContact O-N 3.11Å; E873-D877 PolarHBondContact O-N 3.15Å
874	V	92.1	Very high	88.4	Confident	16 Å²	16	37.1 Å²	37.1	10%	0.097	19%	0.185	C	C	.	.	H	α-helix	trans	-63.4	-37.2	179.1	174.1	0	0	0	0	112	L846 L850 H870 A871 D877 L878	L846-V874 HydrophobicContact CD1-CG1 3.97Å; L846-V874 HydrophobicContact CG-CG1 4.41Å; L850-V874 HydrophobicContact CD1-CB 4.12Å; L850-V874 HydrophobicContact CD1-CG1 4.35Å; L850-V874 HydrophobicContact CD1-CG2 4.02Å; L850-V874 HydrophobicContact CD2-CG1 4.22Å; H870-V874 WeakPolarHBondContact O-CG2 3.28Å; H870-V874 PolarHBondContact O-N 3.4Å; A871-V874 PolarHBondContact O-N 3.44Å; V874-D877 PolarHBondContact O-N 2.85Å; V874-L878 WeakPolarHBondContact O-CB 3.37Å; V874-L878 PolarHBondContact O-N 3.02Å
875	I	91.4	Very high	88.3	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.2	-43.8	173.8	-71.7	167.1	0	0	0	110.9	A871 K872 E873 D877 L878 L879 L966 L974 L991 L992 T997	A871-I875 WeakPolarHBondContact O-CB 3.48Å; A871-I875 WeakPolarHBondContact O-CD1 3.45Å; A871-I875 WeakPolarHBondContact O-CG1 3.35Å; A871-I875 PolarHBondContact O-N 3.2Å; K872-I875 PolarHBondContact O-N 3.01Å; E873-I875 VanDerWaalsContact C-N 3.32Å; E873-I875 PolarHBondContact O-N 2.94Å; I875-D877 VanDerWaalsContact C-N 3.34Å; I875-L878 PolarHBondContact O-N 3.41Å; I875-L879 HydrophobicContact CG2-CD1 4.01Å; I875-L879 WeakPolarHBondContact O-CG 3.33Å; I875-L879 PolarHBondContact O-N 3.28Å; I875-L966 HydrophobicContact CD1-CD1 4.32Å; I875-L966 HydrophobicContact CG1-CD1 4.03Å; I875-L966 HydrophobicContact CG2-CD1 3.92Å; I875-L974 HydrophobicContact CD1-CD1 4.24Å; I875-L991 WeakPolarHBondContact CD1-O 3.48Å; I875-L992 HydrophobicContact CD1-CD2 4.38Å; I875-T997 HydrophobicContact CG2-CG2 3.8Å
876	S	89.3	Confident	88.1	Confident	22 Å²	22	31.6 Å²	31.6	15%	0.154	16%	0.158	C	C	.	.	H	α-helix	trans	-60.8	-44.9	176	-174.2	0	0	0	0	111	K872 E873 L878 L879 C880	K872-S876 WeakPolarHBondContact O-CB 3.45Å; K872-S876 PolarHBondContact O-N 3.07Å; E873-S876 WeakPolarHBondContact O-CB 3.47Å; E873-S876 PolarHBondContact O-N 3.3Å; E873-S876 VanDerWaalsContact O-N 3.11Å; S876-L878 PolarHBondContact O-N 3.34Å; S876-L879 PolarHBondContact O-N 2.93Å; S876-C880 VanDerWaalsContact O-CB 3.29Å; S876-C880 WeakPolarHBondContact O-CB 3.26Å; S876-C880 PolarHBondContact O-N 2.74Å; S876-C880 PolarHBondContact O-SG 3.39Å
877	D	89.6	Confident	88	Confident	35 Å²	35	33.5 Å²	33.5	19%	0.187	16%	0.163	C	C	.	.	H	α-helix	trans	-62.3	-41	177	-77.2	-10.6	0	0	0	112.8	E873 V874 I875 C880 N881 R882 I883	E873-D877 PolarHBondContact O-N 3.15Å; V874-D877 PolarHBondContact O-N 2.85Å; I875-D877 VanDerWaalsContact C-N 3.34Å; D877-C880 PolarHBondContact O-N 3.03Å; D877-N881 PolarHBondContact O-N 3.3Å; D877-R882 HydrophobicContact CB-CB 4.15Å; D877-R882 PolarHBondContact O-N 2.92Å; D877-R882 IonicContact OD1-CZ 2.67Å; D877-R882 IonicContact OD1-NE 2.63Å; D877-R882 PolarHBondContact OD1-NE 2.73Å; D877-R882 IonicContact OD1-NH2 3.51Å; D877-R882 PolarHBondContact OD1-NH2 3.14Å; D877-I883 HydrophobicContact CB-CD1 3.64Å; D877-I883 HydrophobicContact CB-CG1 3.96Å
878	L	89.9	Confident	88	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-61	-47.8	175.5	-180	70.4	0	0	0	110.8	L846 V874 I875 S876 C880 N881 I883 L888 T962 L966 L970	L846-L878 HydrophobicContact CD2-CD1 4.26Å; V874-L878 WeakPolarHBondContact O-CB 3.37Å; V874-L878 PolarHBondContact O-N 3.02Å; I875-L878 PolarHBondContact O-N 3.41Å; S876-L878 PolarHBondContact O-N 3.34Å; L878-C880 VanDerWaalsContact C-N 3.31Å; L878-C880 PolarHBondContact O-N 2.9Å; L878-N881 PolarHBondContact O-N 3.1Å; L878-I883 HydrophobicContact CB-CG1 4.15Å; L878-I883 HydrophobicContact CD1-CG1 4.43Å; L878-L888 HydrophobicContact CD1-CD2 3.92Å; L878-T962 VanDerWaalsContact O-CG2 3.28Å; L878-T962 WeakPolarHBondContact O-CG2 3.47Å; L878-L966 HydrophobicContact CD2-CB 4.3Å; L878-L970 HydrophobicContact CD2-CD1 3.61Å
879	L	87.4	Confident	87.9	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-71.7	-25.7	-177.8	-66.8	174.3	0	0	0	113.1	I875 S876 N881 L966 T997 T1001	I875-L879 HydrophobicContact CG2-CD1 4.01Å; I875-L879 WeakPolarHBondContact O-CG 3.33Å; I875-L879 PolarHBondContact O-N 3.28Å; S876-L879 PolarHBondContact O-N 2.93Å; L879-N881 VanDerWaalsContact C-N 3.32Å; L879-L966 HydrophobicContact CD1-CD2 4.36Å; L879-L966 HydrophobicContact CD2-CD2 4.23Å; L879-T997 HydrophobicContact CD1-CG2 4.2Å; L879-T1001 PolarHBondContact O-N 3.23Å; L879-T1001 VanDerWaalsContact O-N 3.09Å
880	C	83.7	Confident	87.8	Confident	22 Å²	22	31.1 Å²	31.1	15%	0.149	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	4	175	-65.3	0	0	0	0	113.8	S876 D877 L878 R882 T1001	S876-C880 VanDerWaalsContact O-CB 3.29Å; S876-C880 WeakPolarHBondContact O-CB 3.26Å; S876-C880 PolarHBondContact O-N 2.74Å; S876-C880 PolarHBondContact O-SG 3.39Å; D877-C880 PolarHBondContact O-N 3.03Å; L878-C880 VanDerWaalsContact C-N 3.31Å; L878-C880 PolarHBondContact O-N 2.9Å; C880-R882 VanDerWaalsContact C-N 3.26Å; C880-R882 HydrophobicContact CB-CG 3.97Å; C880-R882 PolarHBondContact O-N 2.89Å; C880-T1001 WeakPolarHBondContact CA-OG1 3.49Å; C880-T1001 WeakPolarHBondContact O-CB 3.36Å; C880-T1001 PolarHBondContact O-OG1 3Å; C880-T1001 VanDerWaalsContact O-OG1 3.13Å
881	N	81.1	Confident	87.5	Confident	37 Å²	37	30.5 Å²	30.5	20%	0.198	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	33.9	-173.5	-61.5	-39.1	0	0	0	114.1	D877 L878 L879 T962 T1001 L1003	D877-N881 PolarHBondContact O-N 3.3Å; L878-N881 PolarHBondContact O-N 3.1Å; L879-N881 VanDerWaalsContact C-N 3.32Å; N881-T962 WeakPolarHBondContact OD1-CG2 3.32Å; N881-T1001 PolarHBondContact ND2-O 3.37Å; N881-L1003 HydrophobicContact CB-CD1 4.18Å
882	R	81.8	Confident	87.3	Confident	153 Å²	153	34 Å²	34	58%	0.577	17%	0.166	S	C	*	.			trans	-92.6	-8.1	176.8	-60.7	-168.6	-66.1	-158.3	-1.1	113.4	D877 C880	D877-R882 HydrophobicContact CB-CB 4.15Å; D877-R882 PolarHBondContact O-N 2.92Å; D877-R882 IonicContact OD1-CZ 2.67Å; D877-R882 IonicContact OD1-NE 2.63Å; D877-R882 PolarHBondContact OD1-NE 2.73Å; D877-R882 IonicContact OD1-NH2 3.51Å; D877-R882 PolarHBondContact OD1-NH2 3.14Å; C880-R882 VanDerWaalsContact C-N 3.26Å; C880-R882 HydrophobicContact CB-CG 3.97Å; C880-R882 PolarHBondContact O-N 2.89Å
883	I	85.9	Confident	86.9	Confident	29 Å²	29	34.4 Å²	34.4	15%	0.149	17%	0.168	C	C	.	.	S	Bend	trans	-79.8	135.2	175.5	-61	-62.1	0	0	0	110.9	L846 D877 L878 Q887 L888	L846-I883 HydrophobicContact CD1-CD1 4.07Å; L846-I883 HydrophobicContact CD1-CG2 4.07Å; L846-I883 HydrophobicContact CD2-CG2 4.22Å; D877-I883 HydrophobicContact CB-CD1 3.64Å; D877-I883 HydrophobicContact CB-CG1 3.96Å; L878-I883 HydrophobicContact CB-CG1 4.15Å; L878-I883 HydrophobicContact CD1-CG1 4.43Å; I883-Q887 HydrophobicContact CG2-CB 3.9Å; I883-L888 HydrophobicContact CG2-CD1 4.5Å; I883-L888 HydrophobicContact CG2-CD2 3.97Å; I883-L888 HydrophobicContact CG2-CG 4.12Å
884	D	82.3	Confident	86.5	Confident	19 Å²	19	29.2 Å²	29.2	10%	0.102	14%	0.144	C	C	.	.			trans	-67.6	142.6	175.3	-172.4	-93.8	0	0	0	112.1	S886 Q887	D884-S886 PolarHBondContact O-N 2.91Å; D884-S886 WeakPolarHBondContact OD1-CB 3.5Å; D884-S886 PolarHBondContact OD1-N 3.16Å; D884-S886 PolarHBondContact OD1-OG 2.86Å; D884-Q887 WeakPolarHBondContact O-CB 3.21Å; D884-Q887 PolarHBondContact O-N 3.46Å; D884-Q887 VanDerWaalsContact O-N 3.1Å
885	I	83.8	Confident	85.7	Confident	12 Å²	12	31.3 Å²	31.3	6%	0.062	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-62.6	-30.1	-177.2	-162.2	171.4	0	0	0	112.7	Q887 L888 V889 V933 P950 V953 L954 I960 Y1088	I885-Q887 PolarHBondContact O-N 3.33Å; I885-L888 WeakPolarHBondContact O-CA 3.41Å; I885-L888 WeakPolarHBondContact O-CB 3.26Å; I885-L888 PolarHBondContact O-N 3.47Å; I885-V889 WeakPolarHBondContact O-CG2 3.42Å; I885-V889 PolarHBondContact O-N 3.24Å; I885-V933 HydrophobicContact CD1-CG1 4.36Å; I885-V933 HydrophobicContact CD1-CG2 4.38Å; I885-V933 HydrophobicContact CG1-CG1 3.96Å; I885-P950 HydrophobicContact CD1-CB 4.35Å; I885-V953 HydrophobicContact CD1-CB 4.14Å; I885-V953 HydrophobicContact CD1-CG1 3.75Å; I885-L954 HydrophobicContact CD1-CD2 4.27Å; I885-L954 HydrophobicContact CD1-CG 4.06Å; I885-L954 HydrophobicContact CG2-CD1 3.91Å; I885-L954 HydrophobicContact CG2-CD2 3.98Å; I885-L954 HydrophobicContact CG2-CG 4.05Å; I885-I960 HydrophobicContact CD1-CD1 4.38Å; I885-Y1088 HydrophobicContact CG2-CG 4.35Å
886	S	81.9	Confident	85	Confident	19 Å²	19	36.8 Å²	36.8	13%	0.133	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-58.1	-33.4	176.8	65.5	0	0	0	0	111.9	D884 L888	D884-S886 PolarHBondContact O-N 2.91Å; D884-S886 WeakPolarHBondContact OD1-CB 3.5Å; D884-S886 PolarHBondContact OD1-N 3.16Å; D884-S886 PolarHBondContact OD1-OG 2.86Å; S886-L888 PolarHBondContact O-N 2.72Å
887	Q	87.8	Confident	84.2	Confident	53 Å²	53	38.6 Å²	38.6	25%	0.248	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-73.2	-15.7	177.5	-61.6	-63.7	-45.9	0	0	112.6	C844 P845 L846 N849 I883 D884 I885	C844-Q887 VanDerWaalsContact CB-O 3.3Å; C844-Q887 WeakPolarHBondContact CB-O 3.08Å; P845-Q887 WeakPolarHBondContact CD-O 3.43Å; L846-Q887 HydrophobicContact CB-CB 4.02Å; L846-Q887 VanDerWaalsContact CB-O 3.25Å; L846-Q887 WeakPolarHBondContact CB-O 3.43Å; L846-Q887 HydrophobicContact CD1-CB 4.27Å; L846-Q887 PolarHBondContact N-O 2.78Å; N849-Q887 PolarHBondContact ND2-OE1 3.39Å; I883-Q887 HydrophobicContact CG2-CB 3.9Å; D884-Q887 WeakPolarHBondContact O-CB 3.21Å; D884-Q887 PolarHBondContact O-N 3.46Å; D884-Q887 VanDerWaalsContact O-N 3.1Å; I885-Q887 PolarHBondContact O-N 3.33Å
888	L	91.3	Very high	83.2	Confident	8 Å²	8	39.1 Å²	39.1	4%	0.042	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-101.8	-6.5	-177.2	-55.7	-177.7	0	0	0	113.2	L846 L878 I883 I885 S886 I890 V933 I960 Y965	L846-L888 HydrophobicContact CD2-CD2 3.86Å; L878-L888 HydrophobicContact CD1-CD2 3.92Å; I883-L888 HydrophobicContact CG2-CD1 4.5Å; I883-L888 HydrophobicContact CG2-CD2 3.97Å; I883-L888 HydrophobicContact CG2-CG 4.12Å; I885-L888 WeakPolarHBondContact O-CA 3.41Å; I885-L888 WeakPolarHBondContact O-CB 3.26Å; I885-L888 PolarHBondContact O-N 3.47Å; S886-L888 PolarHBondContact O-N 2.72Å; L888-I890 PolarHBondContact O-N 3.49Å; L888-V933 HydrophobicContact CB-CG1 4.41Å; L888-I960 HydrophobicContact CD1-CG2 4.03Å; L888-Y965 HydrophobicContact CB-CE1 3.91Å; L888-Y965 HydrophobicContact CD2-CD1 3.98Å; L888-Y965 HydrophobicContact CD2-CE1 4.11Å; L888-Y965 HydrophobicContact CD2-CG 4.34Å; L888-Y965 VanDerWaalsContact O-CE1 3.31Å; L888-Y965 WeakPolarHBondContact O-CE1 3.31Å; L888-Y965 PolarHBondContact O-OH 3.46Å
889	V	88.4	Confident	82.2	Confident	17 Å²	17	48 Å²	48	10%	0.103	24%	0.239	C	C	.	.			trans	-66.6	127.1	179.4	-178.8	0	0	0	0	110.5	C844 P845 I885 T891 P931 V933 P950	C844-V889 WeakPolarHBondContact CA-O 3.39Å; P845-V889 WeakPolarHBondContact CD-O 3.44Å; I885-V889 WeakPolarHBondContact O-CG2 3.42Å; I885-V889 PolarHBondContact O-N 3.24Å; V889-T891 HydrophobicContact CG1-CG2 4.35Å; V889-P931 HydrophobicContact CG1-CB 3.65Å; V889-V933 HydrophobicContact CG2-CG1 4.21Å; V889-P950 HydrophobicContact CG1-CG 4.34Å; V889-P950 HydrophobicContact CG2-CB 4.24Å; V889-P950 HydrophobicContact CG2-CG 3.85Å
890	I	89.8	Confident	81.6	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	137.3	172.9	-57.2	170.6	0	0	0	107.6	C844 L888 P931 Y932 Y964 Y965	C844-I890 HydrophobicContact CB-CG1 4.08Å; L888-I890 PolarHBondContact O-N 3.49Å; I890-P931 CarbonylContact O-C 3.55Å; I890-P931 WeakPolarHBondContact O-CA 3.25Å; I890-Y932 HydrophobicContact CB-CD2 4.48Å; I890-Y932 HydrophobicContact CB-CE1 4.23Å; I890-Y932 HydrophobicContact CB-CE2 4.07Å; I890-Y932 HydrophobicContact CD1-CE2 4.26Å; I890-Y932 HydrophobicContact CG2-CE1 4.01Å; I890-Y932 HydrophobicContact CG2-CE2 4.26Å; I890-Y932 PolarHBondContact N-O 3.23Å; I890-Y932 WeakPolarHBondContact O-CD1 3.49Å; I890-Y932 PolarHBondContact O-N 3.38Å; I890-Y964 HydrophobicContact CD1-CE1 4.5Å; I890-Y965 HydrophobicContact CD1-CE1 4.32Å
891	T	86.5	Confident	81.3	Confident	31 Å²	31	53 Å²	53	19%	0.19	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.9	176.2	61.6	0	0	0	0	111.3	V889 R929 V930 P931	V889-T891 HydrophobicContact CG1-CG2 4.35Å; T891-R929 PolarHBondContact OG1-NH1 3.09Å; T891-V930 WeakPolarHBondContact CA-O 3.3Å; T891-P931 HydrophobicContact CG2-CB 4.17Å
892	K	86.4	Confident	81.1	Confident	73 Å²	73	56.9 Å²	56.9	32%	0.317	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	142.6	171.9	-76.2	-167.4	173.8	-172.6	0	111.1	H907 R929 V930 Y932	K892-H907 HydrophobicContact CB-CB 4.01Å; K892-R929 CarbonylContact O-C 3.46Å; K892-R929 WeakPolarHBondContact O-CA 3.45Å; K892-V930 PolarHBondContact N-O 2.96Å; K892-V930 PolarHBondContact O-N 3.36Å; K892-Y932 HydrophobicContact CB-CE1 4.31Å; K892-Y932 HydrophobicContact CG-CE1 4.28Å
893	E	83.2	Confident	81.1	Confident	61 Å²	61	51.4 Å²	51.4	29%	0.285	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	130	-179.7	-170	176	161.2	0	0	110.8	T895 H907 D928 R929	E893-T895 HydrophobicContact CB-CG2 4.23Å; E893-T895 HydrophobicContact CG-CG2 3.99Å; E893-T895 PolarHBondContact O-N 2.99Å; E893-H907 PolarHBondContact O-NE2 2.96Å; E893-D928 CarbonylContact C-O 3.51Å; E893-D928 WeakPolarHBondContact CA-O 3.32Å; E893-R929 HydrophobicContact CB-CG 4.11Å
894	L	82.6	Confident	81.1	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.01	31%	0.308	C	S	.	.			trans	-82.8	86.5	174.1	-175.7	61.8	0	0	0	109.1	Y901 V908 A911 G927 D928 V930	L894-Y901 HydrophobicContact CD1-CE2 4.23Å; L894-V908 HydrophobicContact CD1-CB 4.45Å; L894-V908 HydrophobicContact CD1-CG2 3.83Å; L894-A911 HydrophobicContact CD2-CB 4.31Å; L894-G927 PolarHBondContact O-N 2.87Å; L894-D928 PolarHBondContact N-O 3.14Å; L894-V930 HydrophobicContact CB-CG2 4.19Å
895	T	75.4	Confident	81.4	Confident	60 Å²	60	59.4 Å²	59.4	37%	0.368	32%	0.32	S	S	.	.			trans	-80.2	-18.8	-171	56.2	0	0	0	0	115.3	E893 Y901	E893-T895 HydrophobicContact CB-CG2 4.23Å; E893-T895 HydrophobicContact CG-CG2 3.99Å; E893-T895 PolarHBondContact O-N 2.99Å; T895-Y901 PolarHBondContact N-OH 3.29Å; T895-Y901 PolarHBondContact OG1-OH 2.93Å
896	R	76	Confident	81.7	Confident	115 Å²	115	59.4 Å²	59.4	43%	0.434	32%	0.322	S	S	.	.	S	Bend	trans	-147.3	169.3	-175.7	-59.4	-174.5	179.8	178.7	-4.2	110.9	E900 Y901	R896-E900 HydrophobicContact CB-CB 3.94Å; R896-E900 WeakPolarHBondContact CD-OE2 3.37Å; R896-E900 HydrophobicContact CG-CB 4.49Å; R896-Y901 HydrophobicContact CB-CD2 4.18Å; R896-Y901 HydrophobicContact CB-CE2 3.76Å; R896-Y901 PolarHBondContact N-OH 3.41Å; R896-Y901 VanDerWaalsContact O-CE2 3.27Å; R896-Y901 WeakPolarHBondContact O-CE2 3.43Å
897	T	73.1	Confident	82.1	Confident	60 Å²	60	59 Å²	59	37%	0.368	32%	0.318	S	S	.	.			trans	-69	153.2	167.4	62.3	0	0	0	0	110	Q899 E900 Y901 L926	T897-Q899 PolarHBondContact O-N 3.48Å; T897-E900 PolarHBondContact O-N 3.09Å; T897-Y901 WeakPolarHBondContact O-CD2 3.25Å; T897-L926 HydrophobicContact CG2-CD1 4.01Å
898	A	68.6	Low	82.1	Confident	45 Å²	45	57 Å²	57	37%	0.372	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-54.3	-31.9	-177.1	0	0	0	0	0	114.1	E900 Y901 V908 E912	A898-E900 VanDerWaalsContact C-N 3.34Å; A898-Y901 PolarHBondContact O-N 3.12Å; A898-V908 HydrophobicContact CB-CG1 3.69Å; A898-E912 HydrophobicContact CB-CG 4Å
899	Q	68.4	Low	82	Confident	190 Å²	190	58.3 Å²	58.3	89%	0.888	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-72	-25.7	-178.8	-64.7	167.7	-1.4	0	0	113	T897	T897-Q899 PolarHBondContact O-N 3.48Å
900	E	75.1	Confident	82.1	Confident	78 Å²	78	57.5 Å²	57.5	36%	0.364	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-86.7	-5.2	-179.7	-69.2	-174.6	177	0	0	113.5	R450 R896 T897 A898	R450-E900 IonicContact NH1-OE1 3.7Å; R450-E900 PolarHBondContact NH1-OE1 2.73Å; R450-E900 VanDerWaalsContact NH1-OE1 3.15Å; R450-E900 IonicContact NH1-OE2 3.36Å; R450-E900 PolarHBondContact NH1-OE2 3.03Å; R896-E900 HydrophobicContact CB-CB 3.94Å; R896-E900 WeakPolarHBondContact CD-OE2 3.37Å; R896-E900 HydrophobicContact CG-CB 4.49Å; T897-E900 PolarHBondContact O-N 3.09Å; A898-E900 VanDerWaalsContact C-N 3.34Å
901	Y	77.6	Confident	81.9	Confident	48 Å²	48	57.4 Å²	57.4	19%	0.188	31%	0.31	C	S	.	.			trans	-83.4	126.3	175.5	-78.3	-81.3	0	0	0	111.2	L894 T895 R896 T897 A898 G903 Q905 V908	L894-Y901 HydrophobicContact CD1-CE2 4.23Å; T895-Y901 PolarHBondContact N-OH 3.29Å; T895-Y901 PolarHBondContact OG1-OH 2.93Å; R896-Y901 HydrophobicContact CB-CD2 4.18Å; R896-Y901 HydrophobicContact CB-CE2 3.76Å; R896-Y901 PolarHBondContact N-OH 3.41Å; R896-Y901 VanDerWaalsContact O-CE2 3.27Å; R896-Y901 WeakPolarHBondContact O-CE2 3.43Å; T897-Y901 WeakPolarHBondContact O-CD2 3.25Å; A898-Y901 PolarHBondContact O-N 3.12Å; Y901-G903 PolarHBondContact O-N 3.37Å; Y901-G903 VanDerWaalsContact O-N 3.14Å; Y901-Q905 HydrophobicContact CD1-CG 4.42Å; Y901-V908 HydrophobicContact CD2-CG1 4.19Å; Y901-V908 HydrophobicContact CD2-CG2 3.81Å; Y901-V908 HydrophobicContact CE1-CG2 4.37Å; Y901-V908 HydrophobicContact CE2-CG1 4.38Å; Y901-V908 HydrophobicContact CE2-CG2 3.49Å; Y901-V908 VanDerWaalsContact CE2-CG2 3.49Å; Y901-V908 HydrophobicContact CG-CG2 4.34Å
902	A	77.2	Confident	81.7	Confident	120 Å²	120	58.3 Å²	58.3	99%	0.992	31%	0.312	S	S	*	.	S	Bend	trans	-64.7	-16.7	178	0	0	0	0	0	114.1
903	G	82.4	Confident	81.3	Confident	38 Å²	38	56.8 Å²	56.8	39%	0.392	31%	0.311	S	S	.	.	S	Bend	trans	-155.8	153.5	178.4	0	0	0	0	0	112.5	Y901 Q905	Y901-G903 PolarHBondContact O-N 3.37Å; Y901-G903 VanDerWaalsContact O-N 3.14Å; G903-Q905 PolarHBondContact O-N 2.98Å
904	K	86.1	Confident	81.3	Confident	140 Å²	140	56.4 Å²	56.4	61%	0.609	31%	0.306	S	S	*	.			trans	-64.2	124.4	-177.9	-64.3	-169.3	177.1	-167.5	0	111.4	Y944	K904-Y944 HydrophobicContact CB-CD1 4.02Å; K904-Y944 HydrophobicContact CB-CD2 4.12Å; K904-Y944 HydrophobicContact CB-CE1 4.12Å; K904-Y944 HydrophobicContact CB-CE2 4.23Å; K904-Y944 HydrophobicContact CB-CG 4.04Å; K904-Y944 HydrophobicContact CD-CD2 4.33Å; K904-Y944 HydrophobicContact CD-CE2 3.83Å
905	Q	88.6	Confident	81.4	Confident	76 Å²	76	56.6 Å²	56.6	36%	0.355	31%	0.307	S	S	.	.			trans	-115	149.3	178.3	-60.9	-61.5	-45.3	0	0	110.6	Y901 G903 H907 V908 E909	Y901-Q905 HydrophobicContact CD1-CG 4.42Å; G903-Q905 PolarHBondContact O-N 2.98Å; Q905-H907 VanDerWaalsContact CB-CE1 3.48Å; Q905-H907 WeakPolarHBondContact CB-CE1 3.47Å; Q905-V908 HydrophobicContact CB-CB 4.26Å; Q905-V908 HydrophobicContact CB-CG2 3.88Å; Q905-V908 PolarHBondContact O-N 3.01Å; Q905-E909 WeakPolarHBondContact O-CB 3.36Å; Q905-E909 PolarHBondContact O-N 3.48Å
906	A	90.3	Very high	81.8	Confident	11 Å²	11	58.2 Å²	58.2	9%	0.091	31%	0.307	C	S	.	.	H	α-helix	trans	-59.4	-51.3	-176.8	0	0	0	0	0	114	V908 E909 L910 Y932 S947	A906-V908 VanDerWaalsContact C-N 3.32Å; A906-V908 PolarHBondContact O-N 2.85Å; A906-E909 PolarHBondContact O-N 3.02Å; A906-L910 WeakPolarHBondContact O-CB 3.41Å; A906-L910 PolarHBondContact O-N 3.38Å; A906-Y932 HydrophobicContact CB-CE2 4.04Å; A906-S947 PolarHBondContact O-OG 3.21Å
907	H	89.3	Confident	82.2	Confident	11 Å²	11	60.7 Å²	60.7	5%	0.051	32%	0.321	C	S	.	.	H	α-helix	trans	-62.8	-35.9	178.5	58.5	-71.8	0	0	0	113.3	K892 E893 Q905 A911 V930 Y932	K892-H907 HydrophobicContact CB-CB 4.01Å; E893-H907 PolarHBondContact O-NE2 2.96Å; Q905-H907 VanDerWaalsContact CB-CE1 3.48Å; Q905-H907 WeakPolarHBondContact CB-CE1 3.47Å; H907-A911 WeakPolarHBondContact O-CB 3.19Å; H907-A911 PolarHBondContact O-N 2.88Å; H907-V930 HydrophobicContact CB-CB 4Å; H907-V930 HydrophobicContact CB-CG1 4.38Å; H907-V930 HydrophobicContact CB-CG2 4.38Å; H907-Y932 HydrophobicContact CB-CD1 4.15Å; H907-Y932 HydrophobicContact CB-CE1 3.93Å
908	V	88.9	Confident	82.6	Confident	10 Å²	10	62.7 Å²	62.7	6%	0.061	32%	0.321	C	S	.	.	H	α-helix	trans	-69.1	-47.1	177.9	-179.1	0	0	0	0	110.6	L894 A898 Y901 Q905 A906 L910 A911 E912	L894-V908 HydrophobicContact CD1-CB 4.45Å; L894-V908 HydrophobicContact CD1-CG2 3.83Å; A898-V908 HydrophobicContact CB-CG1 3.69Å; Y901-V908 HydrophobicContact CD2-CG1 4.19Å; Y901-V908 HydrophobicContact CD2-CG2 3.81Å; Y901-V908 HydrophobicContact CE1-CG2 4.37Å; Y901-V908 HydrophobicContact CE2-CG1 4.38Å; Y901-V908 HydrophobicContact CE2-CG2 3.49Å; Y901-V908 VanDerWaalsContact CE2-CG2 3.49Å; Y901-V908 HydrophobicContact CG-CG2 4.34Å; Q905-V908 HydrophobicContact CB-CB 4.26Å; Q905-V908 HydrophobicContact CB-CG2 3.88Å; Q905-V908 PolarHBondContact O-N 3.01Å; A906-V908 VanDerWaalsContact C-N 3.32Å; A906-V908 PolarHBondContact O-N 2.85Å; V908-L910 VanDerWaalsContact C-N 3.33Å; V908-L910 PolarHBondContact O-N 3.36Å; V908-A911 PolarHBondContact O-N 3.47Å; V908-E912 PolarHBondContact O-N 3.04Å
909	E	88.9	Confident	82.8	Confident	36 Å²	36	62.6 Å²	62.6	17%	0.168	32%	0.315	C	S	.	.	I	π-helix	trans	-63.4	-39.5	178	-169.9	68.7	-143.6	0	0	111.4	Q905 A906 S913 R914	Q905-E909 WeakPolarHBondContact O-CB 3.36Å; Q905-E909 PolarHBondContact O-N 3.48Å; A906-E909 PolarHBondContact O-N 3.02Å; E909-S913 WeakPolarHBondContact O-CA 3.21Å; E909-S913 VanDerWaalsContact O-CB 3.23Å; E909-S913 WeakPolarHBondContact O-CB 3.38Å; E909-S913 PolarHBondContact O-N 3.19Å; E909-S913 WeakPolarHBondContact OE1-CB 3.45Å; E909-S913 PolarHBondContact OE1-OG 3.36Å; E909-R914 PolarHBondContact O-N 2.73Å
910	L	90.1	Very high	83	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.295	C	S	.	.	I	π-helix	trans	-62.5	-51.1	174.8	177.7	60.7	0	0	0	111.5	A906 V908 R914 M915 V930 Y932	A906-L910 WeakPolarHBondContact O-CB 3.41Å; A906-L910 PolarHBondContact O-N 3.38Å; V908-L910 VanDerWaalsContact C-N 3.33Å; V908-L910 PolarHBondContact O-N 3.36Å; L910-R914 HydrophobicContact CD1-CB 4.22Å; L910-R914 PolarHBondContact O-N 2.67Å; L910-M915 HydrophobicContact CD1-CG 3.93Å; L910-M915 HydrophobicContact CD1-SD 4.33Å; L910-M915 HydrophobicContact CD2-SD 4.25Å; L910-M915 HydrophobicContact CG-CG 4.04Å; L910-M915 HydrophobicContact CG-SD 3.9Å; L910-M915 WeakPolarHBondContact O-CG 3.13Å; L910-M915 PolarHBondContact O-N 2.95Å; L910-V930 HydrophobicContact CD2-CG1 4.05Å; L910-Y932 VanDerWaalsContact CD2-CB 3.41Å
911	A	86.2	Confident	82.5	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.282	C	S	.	.	I	π-helix	trans	-62.9	-55	-176.5	0	0	0	0	0	111.8	L894 H907 V908 R916 P924 V930	L894-A911 HydrophobicContact CD2-CB 4.31Å; H907-A911 WeakPolarHBondContact O-CB 3.19Å; H907-A911 PolarHBondContact O-N 2.88Å; V908-A911 PolarHBondContact O-N 3.47Å; A911-R916 VanDerWaalsContact O-CB 3.32Å; A911-R916 WeakPolarHBondContact O-CB 3.42Å; A911-R916 PolarHBondContact O-N 3.38Å; A911-P924 HydrophobicContact CB-CG 4.39Å; A911-V930 HydrophobicContact CB-CG2 4.28Å
912	E	81.6	Confident	82	Confident	51 Å²	51	52.2 Å²	52.2	24%	0.238	28%	0.283	C	S	.	.	I	π-helix	trans	-83.2	-45.5	-171.4	-65.7	-67	165.1	0	0	113.1	A898 V908 R916	A898-E912 HydrophobicContact CB-CG 4Å; V908-E912 PolarHBondContact O-N 3.04Å; E912-R916 VanDerWaalsContact CD-NH1 3.32Å; E912-R916 IonicContact OE1-CZ 3.68Å; E912-R916 IonicContact OE1-NH1 2.86Å; E912-R916 PolarHBondContact OE1-NH1 3.03Å; E912-R916 IonicContact OE2-CZ 3.66Å; E912-R916 IonicContact OE2-NE 2.65Å; E912-R916 IonicContact OE2-NH1 3.42Å; E912-R916 PolarHBondContact OE2-NH1 2.82Å
913	S	77.2	Confident	81.9	Confident	41 Å²	41	46.9 Å²	46.9	29%	0.287	24%	0.24	S	C	.	.	I	π-helix	trans	-87.3	-19.7	-172.2	-61.1	0	0	0	0	114	E909 K917	E909-S913 WeakPolarHBondContact O-CA 3.21Å; E909-S913 VanDerWaalsContact O-CB 3.23Å; E909-S913 WeakPolarHBondContact O-CB 3.38Å; E909-S913 PolarHBondContact O-N 3.19Å; E909-S913 WeakPolarHBondContact OE1-CB 3.45Å; E909-S913 PolarHBondContact OE1-OG 3.36Å; S913-K917 VanDerWaalsContact O-CD 3.31Å; S913-K917 WeakPolarHBondContact O-CD 3.3Å
914	R	83.6	Confident	81.6	Confident	53 Å²	53	45.7 Å²	45.7	20%	0.2	23%	0.225	C	C	.	.	I	π-helix	trans	-120.6	-58.2	-176.3	-57.3	-171.4	-170.7	-176.5	5.9	114	E909 L910 R918 M945 S947 E948	E909-R914 PolarHBondContact O-N 2.73Å; L910-R914 HydrophobicContact CD1-CB 4.22Å; L910-R914 PolarHBondContact O-N 2.67Å; R914-R918 WeakPolarHBondContact O-CB 3.42Å; R914-R918 VanDerWaalsContact O-CG 3.25Å; R914-R918 WeakPolarHBondContact O-CG 3.48Å; R914-R918 PolarHBondContact O-N 3.34Å; R914-R918 PolarHBondContact O-NE 2.91Å; R914-M945 VanDerWaalsContact NH2-C 3.3Å; R914-M945 PolarHBondContact NH2-O 2.81Å; R914-S947 PolarHBondContact NH1-O 3.47Å; R914-E948 WeakPolarHBondContact CD-OE2 3.47Å; R914-E948 IonicContact CZ-OE2 2.77Å; R914-E948 IonicContact NH1-OE2 3.38Å; R914-E948 PolarHBondContact NH1-OE2 3.47Å
915	M	85.3	Confident	80.9	Confident	6 Å²	6	42.7 Å²	42.7	3%	0.03	22%	0.216	C	C	.	.	I	π-helix	trans	-65	-53.5	-176.1	-67.5	-178.3	77.3	0	0	110.2	L910 K917 R918 D919 A923 P924	L910-M915 HydrophobicContact CD1-CG 3.93Å; L910-M915 HydrophobicContact CD1-SD 4.33Å; L910-M915 HydrophobicContact CD2-SD 4.25Å; L910-M915 HydrophobicContact CG-CG 4.04Å; L910-M915 HydrophobicContact CG-SD 3.9Å; L910-M915 WeakPolarHBondContact O-CG 3.13Å; L910-M915 PolarHBondContact O-N 2.95Å; M915-K917 VanDerWaalsContact C-N 3.27Å; M915-K917 PolarHBondContact O-N 3.33Å; M915-R918 PolarHBondContact O-N 3.38Å; M915-D919 CarbonylContact O-C 3.58Å; M915-D919 PolarHBondContact O-N 3.46Å; M915-D919 VanDerWaalsContact O-O 3.1Å; M915-A923 HydrophobicContact CB-CB 4.23Å; M915-P924 HydrophobicContact CE-CG 4.48Å; M915-P924 HydrophobicContact SD-CG 4.22Å
916	R	83.3	Confident	80	Confident	93 Å²	93	42.5 Å²	42.5	35%	0.351	22%	0.217	S	C	.	.	H	α-helix	trans	-61.7	-30.7	-178.7	-166.4	169	-81.8	-174.6	-11.5	114.3	A911 E912 A920 A923 P924	A911-R916 VanDerWaalsContact O-CB 3.32Å; A911-R916 WeakPolarHBondContact O-CB 3.42Å; A911-R916 PolarHBondContact O-N 3.38Å; E912-R916 VanDerWaalsContact CD-NH1 3.32Å; E912-R916 IonicContact OE1-CZ 3.68Å; E912-R916 IonicContact OE1-NH1 2.86Å; E912-R916 PolarHBondContact OE1-NH1 3.03Å; E912-R916 IonicContact OE2-CZ 3.66Å; E912-R916 IonicContact OE2-NE 2.65Å; E912-R916 IonicContact OE2-NH1 3.42Å; E912-R916 PolarHBondContact OE2-NH1 2.82Å; R916-A920 HydrophobicContact CG-CB 4.29Å; R916-A920 PolarHBondContact O-N 3.13Å; R916-A923 HydrophobicContact CB-CB 3.76Å; R916-A923 HydrophobicContact CG-CB 4.2Å; R916-P924 PolarHBondContact NH2-O 2.69Å
917	K	84.1	Confident	78.9	Confident	168 Å²	168	43.7 Å²	43.7	73%	0.73	23%	0.23	S	C	*	.	H	α-helix	trans	-76	-30.8	173.4	-67.1	-167.2	-172.2	171.3	0	113.8	S913 M915	S913-K917 VanDerWaalsContact O-CD 3.31Å; S913-K917 WeakPolarHBondContact O-CD 3.3Å; M915-K917 VanDerWaalsContact C-N 3.27Å; M915-K917 PolarHBondContact O-N 3.33Å
918	R	82.2	Confident	78.2	Confident	101 Å²	101	46.7 Å²	46.7	38%	0.381	25%	0.246	S	C	.	.	H	α-helix	trans	-77.4	-50.8	178.1	-78.5	178.6	-70.8	-172.8	-3.5	110.8	R914 M915 E948	R914-R918 WeakPolarHBondContact O-CB 3.42Å; R914-R918 VanDerWaalsContact O-CG 3.25Å; R914-R918 WeakPolarHBondContact O-CG 3.48Å; R914-R918 PolarHBondContact O-N 3.34Å; R914-R918 PolarHBondContact O-NE 2.91Å; M915-R918 PolarHBondContact O-N 3.38Å; R918-E948 IonicContact CZ-OE1 3.01Å; R918-E948 IonicContact NH1-OE1 2.66Å; R918-E948 PolarHBondContact NH1-OE1 2.9Å; R918-E948 IonicContact NH1-OE2 3.62Å; R918-E948 IonicContact NH2-OE1 2.63Å; R918-E948 PolarHBondContact NH2-OE1 2.83Å
919	D	72.8	Confident	77.7	Confident	43 Å²	43	48.6 Å²	48.6	23%	0.23	25%	0.252	C	S	.	.			trans	-154.8	104.4	179.2	176.9	-3.6	0	0	0	108.1	G331 M915 G921 S922	G331-D919 VanDerWaalsContact C-OD1 3.28Å; G331-D919 VanDerWaalsContact CA-OD1 3.31Å; G331-D919 WeakPolarHBondContact CA-OD1 3.49Å; M915-D919 CarbonylContact O-C 3.58Å; M915-D919 PolarHBondContact O-N 3.46Å; M915-D919 VanDerWaalsContact O-O 3.1Å; D919-G921 PolarHBondContact O-N 3.38Å; D919-G921 WeakPolarHBondContact OD1-CA 3.37Å; D919-G921 PolarHBondContact OD1-N 2.97Å; D919-S922 WeakPolarHBondContact CB-OG 3.33Å; D919-S922 PolarHBondContact O-N 3.46Å; D919-S922 PolarHBondContact O-OG 3.4Å; D919-S922 PolarHBondContact OD1-N 3.45Å
920	A	71.5	Confident	77.6	Confident	57 Å²	57	46.9 Å²	46.9	47%	0.471	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-62.9	-28.9	179.7	0	0	0	0	0	112.4	R916 S922 A923	R916-A920 HydrophobicContact CG-CB 4.29Å; R916-A920 PolarHBondContact O-N 3.13Å; A920-S922 VanDerWaalsContact C-N 3.32Å; A920-S922 PolarHBondContact O-N 2.94Å; A920-A923 PolarHBondContact O-N 3.25Å
921	G	65.3	Low	77.4	Confident	9 Å²	9	47.8 Å²	47.8	9%	0.093	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-68.9	-28.4	177.8	0	0	0	0	0	113.9	G331 D919	G331-G921 PolarHBondContact O-N 2.95Å; D919-G921 PolarHBondContact O-N 3.38Å; D919-G921 WeakPolarHBondContact OD1-CA 3.37Å; D919-G921 PolarHBondContact OD1-N 2.97Å
922	S	67.1	Low	77.6	Confident	32 Å²	32	48.2 Å²	48.2	22%	0.224	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-91.7	-4.2	-179.8	77.1	0	0	0	0	114.6	D919 A920	D919-S922 WeakPolarHBondContact CB-OG 3.33Å; D919-S922 PolarHBondContact O-N 3.46Å; D919-S922 PolarHBondContact O-OG 3.4Å; D919-S922 PolarHBondContact OD1-N 3.45Å; A920-S922 VanDerWaalsContact C-N 3.32Å; A920-S922 PolarHBondContact O-N 2.94Å
923	A	76	Confident	78.2	Confident	9 Å²	9	45.8 Å²	45.8	7%	0.074	24%	0.241	C	C	.	.	S	Bend	trans	-81.7	139.1	-171.4	0	0	0	0	0	112.2	M915 R916 A920	M915-A923 HydrophobicContact CB-CB 4.23Å; R916-A923 HydrophobicContact CB-CB 3.76Å; R916-A923 HydrophobicContact CG-CB 4.2Å; A920-A923 PolarHBondContact O-N 3.25Å
924	P	75.3	Confident	78.9	Confident	12 Å²	12	43.9 Å²	43.9	8%	0.078	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-61.6	148	176.9	-22.1	32.6	0	0	0	113.3	A911 M915 R916 D928 V930	A911-P924 HydrophobicContact CB-CG 4.39Å; M915-P924 HydrophobicContact CE-CG 4.48Å; M915-P924 HydrophobicContact SD-CG 4.22Å; R916-P924 PolarHBondContact NH2-O 2.69Å; P924-D928 HydrophobicContact CB-CB 4.12Å; P924-V930 HydrophobicContact CB-CG2 3.78Å; P924-V930 HydrophobicContact CG-CB 4.32Å; P924-V930 HydrophobicContact CG-CG1 4.04Å; P924-V930 HydrophobicContact CG-CG2 3.81Å
925	N	71.4	Confident	79.4	Confident	78 Å²	78	42.4 Å²	42.4	42%	0.417	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-96.6	170.2	174.4	-67.1	-50.8	0	0	0	112.2	G927 D928	N925-G927 PolarHBondContact O-N 3.34Å; N925-D928 WeakPolarHBondContact CA-OD2 3.45Å; N925-D928 WeakPolarHBondContact CB-OD2 3.3Å; N925-D928 PolarHBondContact N-OD2 2.89Å; N925-D928 VanDerWaalsContact O-CB 3.29Å; N925-D928 WeakPolarHBondContact O-CB 3.43Å; N925-D928 PolarHBondContact O-N 3.19Å; N925-D928 VanDerWaalsContact O-N 3.08Å
926	L	69.6	Low	79.5	Confident	72 Å²	72	47.7 Å²	47.7	38%	0.377	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	128.9	176.4	-166.7	152.9	0	0	0	109.7	T897	T897-L926 HydrophobicContact CG2-CD1 4.01Å
927	G	68.2	Low	79.6	Confident	36 Å²	36	45.6 Å²	45.6	37%	0.371	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.9	-18.1	-172.5	0	0	0	0	0	113.8	L894 N925	L894-G927 PolarHBondContact O-N 2.87Å; N925-G927 PolarHBondContact O-N 3.34Å
928	D	72.9	Confident	79.5	Confident	73 Å²	73	41.5 Å²	41.5	39%	0.39	25%	0.246	S	C	.	.			trans	-74.3	154.2	179.4	-66.6	-19.4	0	0	0	111.8	E893 L894 P924 N925	E893-D928 CarbonylContact C-O 3.51Å; E893-D928 WeakPolarHBondContact CA-O 3.32Å; L894-D928 PolarHBondContact N-O 3.14Å; P924-D928 HydrophobicContact CB-CB 4.12Å; N925-D928 WeakPolarHBondContact CA-OD2 3.45Å; N925-D928 WeakPolarHBondContact CB-OD2 3.3Å; N925-D928 PolarHBondContact N-OD2 2.89Å; N925-D928 VanDerWaalsContact O-CB 3.29Å; N925-D928 WeakPolarHBondContact O-CB 3.43Å; N925-D928 PolarHBondContact O-N 3.19Å; N925-D928 VanDerWaalsContact O-N 3.08Å
929	R	79.6	Confident	79.2	Confident	50 Å²	50	47.2 Å²	47.2	19%	0.189	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	117.7	169.3	-75.2	-174.1	160.2	-105.8	-11	109.8	R477 T891 K892 E893 P931	R477-R929 WeakPolarHBondContact O-CD 3.42Å; T891-R929 PolarHBondContact OG1-NH1 3.09Å; K892-R929 CarbonylContact O-C 3.46Å; K892-R929 WeakPolarHBondContact O-CA 3.45Å; E893-R929 HydrophobicContact CB-CG 4.11Å; R929-P931 VanDerWaalsContact O-CD 3.3Å; R929-P931 WeakPolarHBondContact O-CD 3.43Å
930	V	85.8	Confident	79.4	Confident	0 Å²	0	49 Å²	49	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	115.4	179.6	-173.6	0	0	0	0	109.4	T891 K892 L894 H907 L910 A911 P924	T891-V930 WeakPolarHBondContact CA-O 3.3Å; K892-V930 PolarHBondContact N-O 2.96Å; K892-V930 PolarHBondContact O-N 3.36Å; L894-V930 HydrophobicContact CB-CG2 4.19Å; H907-V930 HydrophobicContact CB-CB 4Å; H907-V930 HydrophobicContact CB-CG1 4.38Å; H907-V930 HydrophobicContact CB-CG2 4.38Å; L910-V930 HydrophobicContact CD2-CG1 4.05Å; A911-V930 HydrophobicContact CB-CG2 4.28Å; P924-V930 HydrophobicContact CB-CG2 3.78Å; P924-V930 HydrophobicContact CG-CB 4.32Å; P924-V930 HydrophobicContact CG-CG1 4.04Å; P924-V930 HydrophobicContact CG-CG2 3.81Å
931	P	86.6	Confident	80.1	Confident	20 Å²	20	48 Å²	48	13%	0.13	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	136.4	170.5	32.1	-32.6	0	0	0	110.6	V889 I890 T891 R929	V889-P931 HydrophobicContact CG1-CB 3.65Å; I890-P931 CarbonylContact O-C 3.55Å; I890-P931 WeakPolarHBondContact O-CA 3.25Å; T891-P931 HydrophobicContact CG2-CB 4.17Å; R929-P931 VanDerWaalsContact O-CD 3.3Å; R929-P931 WeakPolarHBondContact O-CD 3.43Å
932	Y	90.8	Very high	81.2	Confident	9 Å²	9	49.2 Å²	49.2	4%	0.035	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	157.6	175.9	66.3	-87.5	0	0	0	112.4	I890 K892 A906 H907 L910 I934 E948	I890-Y932 HydrophobicContact CB-CD2 4.48Å; I890-Y932 HydrophobicContact CB-CE1 4.23Å; I890-Y932 HydrophobicContact CB-CE2 4.07Å; I890-Y932 HydrophobicContact CD1-CE2 4.26Å; I890-Y932 HydrophobicContact CG2-CE1 4.01Å; I890-Y932 HydrophobicContact CG2-CE2 4.26Å; I890-Y932 PolarHBondContact N-O 3.23Å; I890-Y932 WeakPolarHBondContact O-CD1 3.49Å; I890-Y932 PolarHBondContact O-N 3.38Å; K892-Y932 HydrophobicContact CB-CE1 4.31Å; K892-Y932 HydrophobicContact CG-CE1 4.28Å; A906-Y932 HydrophobicContact CB-CE2 4.04Å; H907-Y932 HydrophobicContact CB-CD1 4.15Å; H907-Y932 HydrophobicContact CB-CE1 3.93Å; L910-Y932 VanDerWaalsContact CD2-CB 3.41Å; Y932-I934 HydrophobicContact CD2-CD1 3.98Å; Y932-I934 HydrophobicContact CE2-CD1 3.83Å; Y932-I934 HydrophobicContact CE2-CG1 4.45Å; Y932-E948 WeakPolarHBondContact CA-O 3.48Å
933	V	92.8	Very high	82.1	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	159.3	168.4	-66.7	0	0	0	0	110.6	I885 L888 V889 S947 E948 P950 V953 I960 Y965	I885-V933 HydrophobicContact CD1-CG1 4.36Å; I885-V933 HydrophobicContact CD1-CG2 4.38Å; I885-V933 HydrophobicContact CG1-CG1 3.96Å; L888-V933 HydrophobicContact CB-CG1 4.41Å; V889-V933 HydrophobicContact CG2-CG1 4.21Å; V933-S947 WeakPolarHBondContact O-CA 3.48Å; V933-E948 PolarHBondContact N-O 2.54Å; V933-E948 PolarHBondContact O-N 3.22Å; V933-P950 HydrophobicContact CG1-CG 4.27Å; V933-V953 HydrophobicContact CG2-CB 4.24Å; V933-V953 HydrophobicContact CG2-CG1 4.41Å; V933-V953 HydrophobicContact CG2-CG2 3.69Å; V933-I960 HydrophobicContact CB-CD1 4.3Å; V933-I960 HydrophobicContact CG2-CD1 4.05Å; V933-Y965 WeakPolarHBondContact CA-OH 2.98Å
934	I	93.6	Very high	82.7	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	113.1	176.8	-60.2	-58.7	0	0	0	110.3	Y932 K946 D961 Y964 Y965	Y932-I934 HydrophobicContact CD2-CD1 3.98Å; Y932-I934 HydrophobicContact CE2-CD1 3.83Å; Y932-I934 HydrophobicContact CE2-CG1 4.45Å; I934-K946 CarbonylContact C-O 3.5Å; I934-K946 WeakPolarHBondContact CA-O 3.35Å; I934-K946 HydrophobicContact CG2-CB 3.87Å; I934-K946 HydrophobicContact CG2-CD 4.48Å; I934-D961 HydrophobicContact CG2-CB 4.02Å; I934-D961 PolarHBondContact O-N 3.07Å; I934-Y964 HydrophobicContact CB-CD1 3.82Å; I934-Y964 HydrophobicContact CB-CE1 4.07Å; I934-Y964 HydrophobicContact CB-CG 4.39Å; I934-Y964 HydrophobicContact CG1-CD1 3.87Å; I934-Y964 HydrophobicContact CG1-CE1 3.56Å; I934-Y964 HydrophobicContact CG2-CD1 3.85Å; I934-Y964 HydrophobicContact CG2-CD2 4.4Å; I934-Y964 HydrophobicContact CG2-CE1 4.33Å; I934-Y964 HydrophobicContact CG2-CG 3.9Å; I934-Y965 HydrophobicContact CB-CE2 4.11Å; I934-Y965 PolarHBondContact N-OH 2.74Å; I934-Y965 VanDerWaalsContact N-OH 3.14Å
935	I	92.5	Very high	83.4	Confident	22 Å²	22	56.8 Å²	56.8	11%	0.113	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-87.1	156.7	179.2	64.2	161.4	0	0	0	112	K946 E948 V953 I958 P959	I935-K946 WeakPolarHBondContact CG1-O 3.25Å; I935-K946 PolarHBondContact N-O 3.28Å; I935-E948 HydrophobicContact CD1-CB 4.5Å; I935-E948 HydrophobicContact CG2-CB 3.86Å; I935-V953 HydrophobicContact CG2-CG2 3.57Å; I935-I958 HydrophobicContact CB-CG2 3.84Å; I935-I958 HydrophobicContact CD1-CG2 3.84Å; I935-I958 HydrophobicContact CG1-CG2 4.45Å; I935-I958 HydrophobicContact CG2-CB 4.46Å; I935-I958 HydrophobicContact CG2-CG2 3.73Å; I935-P959 WeakPolarHBondContact CA-O 3.22Å
936	K	88.1	Confident	84.3	Confident	117 Å²	117	54.2 Å²	54.2	51%	0.509	32%	0.323	S	S	.	.			trans	-70.6	131.8	175.7	-166.3	173.3	-176.1	177.4	0	110.1	P959	K936-P959 HydrophobicContact CB-CB 4.16Å; K936-P959 PolarHBondContact N-O 2.9Å
937	A	85.1	Confident	85.5	Confident	49 Å²	49	50.8 Å²	50.8	41%	0.405	31%	0.305	S	S	.	.			trans	-136.8	-176.5	176.4	0	0	0	0	0	110.9	A941 K946	A937-A941 HydrophobicContact CB-CB 3.86Å; A937-K946 HydrophobicContact CB-CD 3.84Å; A937-K946 HydrophobicContact CB-CG 3.74Å
938	A	81.9	Confident	86.6	Confident	81 Å²	81	49.5 Å²	49.5	67%	0.669	29%	0.29	S	S	*	.	S	Bend	trans	-55.2	147.5	174.6	0	0	0	0	0	111.6	G940 A941	A938-G940 PolarHBondContact O-N 3.29Å; A938-A941 WeakPolarHBondContact O-CB 3.47Å; A938-A941 PolarHBondContact O-N 2.86Å
939	K	75.8	Confident	87.4	Confident	221 Å²	221	46.6 Å²	46.6	96%	0.961	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	129.4	-179.7	-170.6	178.8	-179.9	-177.5	0	109.8
940	G	77.6	Confident	87.7	Confident	82 Å²	82	44.2 Å²	44.2	85%	0.845	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	-0.9	-178	0	0	0	0	0	115.2	A938 A942	A938-G940 PolarHBondContact O-N 3.29Å; G940-A942 PolarHBondContact O-N 2.91Å
941	A	86.4	Confident	87.5	Confident	34 Å²	34	45.8 Å²	45.8	28%	0.281	27%	0.273	S	S	.	.			trans	-60.6	131.8	174.6	0	0	0	0	0	111.5	A937 A938 K946	A937-A941 HydrophobicContact CB-CB 3.86Å; A938-A941 WeakPolarHBondContact O-CB 3.47Å; A938-A941 PolarHBondContact O-N 2.86Å; A941-K946 HydrophobicContact CB-CD 4.27Å; A941-K946 HydrophobicContact CB-CG 4.31Å
942	A	87.3	Confident	87.4	Confident	36 Å²	36	48.2 Å²	48.2	30%	0.298	28%	0.28	S	S	.	.			trans	-61.4	143.5	179.7	0	0	0	0	0	111.4	G940 Y944 M945	G940-A942 PolarHBondContact O-N 2.91Å; A942-Y944 HydrophobicContact CB-CD1 3.79Å; A942-Y944 HydrophobicContact CB-CE1 3.3Å; A942-Y944 HydrophobicContact CB-CE2 4.3Å; A942-Y944 HydrophobicContact CB-CG 4.44Å; A942-Y944 PolarHBondContact O-N 3.43Å; A942-Y944 VanDerWaalsContact O-N 3.15Å; A942-M945 WeakPolarHBondContact O-CB 3.11Å; A942-M945 PolarHBondContact O-N 3.45Å
943	A	87.1	Confident	87.2	Confident	41 Å²	41	48 Å²	48	34%	0.339	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-58	-32.7	-175.2	0	0	0	0	0	113.7	M945 K946 S947	A943-M945 VanDerWaalsContact C-N 3.25Å; A943-M945 PolarHBondContact O-N 3.3Å; A943-K946 PolarHBondContact O-N 3.29Å; A943-S947 PolarHBondContact O-N 3.41Å
944	Y	88.6	Confident	86.5	Confident	75 Å²	75	49.4 Å²	49.4	29%	0.294	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-69.5	-20.3	177.3	63.8	-100.6	0	0	0	113.8	K904 A942 K946 S947	K904-Y944 HydrophobicContact CB-CD1 4.02Å; K904-Y944 HydrophobicContact CB-CD2 4.12Å; K904-Y944 HydrophobicContact CB-CE1 4.12Å; K904-Y944 HydrophobicContact CB-CE2 4.23Å; K904-Y944 HydrophobicContact CB-CG 4.04Å; K904-Y944 HydrophobicContact CD-CD2 4.33Å; K904-Y944 HydrophobicContact CD-CE2 3.83Å; A942-Y944 HydrophobicContact CB-CD1 3.79Å; A942-Y944 HydrophobicContact CB-CE1 3.3Å; A942-Y944 HydrophobicContact CB-CE2 4.3Å; A942-Y944 HydrophobicContact CB-CG 4.44Å; A942-Y944 PolarHBondContact O-N 3.43Å; A942-Y944 VanDerWaalsContact O-N 3.15Å; Y944-K946 VanDerWaalsContact C-N 3.27Å; Y944-S947 PolarHBondContact O-OG 2.86Å
945	M	89	Confident	85.8	Confident	96 Å²	96	55.3 Å²	55.3	47%	0.473	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-83.5	-7.3	171.8	-63.3	-59.2	-69.2	0	0	112.4	R914 A942 A943	R914-M945 VanDerWaalsContact NH2-C 3.3Å; R914-M945 PolarHBondContact NH2-O 2.81Å; A942-M945 WeakPolarHBondContact O-CB 3.11Å; A942-M945 PolarHBondContact O-N 3.45Å; A943-M945 VanDerWaalsContact C-N 3.25Å; A943-M945 PolarHBondContact O-N 3.3Å
946	K	91.9	Very high	85.3	Confident	23 Å²	23	56.4 Å²	56.4	10%	0.1	32%	0.321	C	S	.	.	S	Bend	trans	-109.2	0.7	-175.7	-59.7	-169.5	-60	173.9	0	113.1	I934 I935 A937 A941 A943 Y944 D961	I934-K946 CarbonylContact C-O 3.5Å; I934-K946 WeakPolarHBondContact CA-O 3.35Å; I934-K946 HydrophobicContact CG2-CB 3.87Å; I934-K946 HydrophobicContact CG2-CD 4.48Å; I935-K946 WeakPolarHBondContact CG1-O 3.25Å; I935-K946 PolarHBondContact N-O 3.28Å; A937-K946 HydrophobicContact CB-CD 3.84Å; A937-K946 HydrophobicContact CB-CG 3.74Å; A941-K946 HydrophobicContact CB-CD 4.27Å; A941-K946 HydrophobicContact CB-CG 4.31Å; A943-K946 PolarHBondContact O-N 3.29Å; Y944-K946 VanDerWaalsContact C-N 3.27Å; K946-D961 IonicContact NZ-OD2 3.37Å; K946-D961 PolarHBondContact NZ-OD2 2.71Å
947	S	93.1	Very high	84.9	Confident	0 Å²	0	53 Å²	53	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	132.2	176.9	43.2	0	0	0	0	111.8	A906 R914 V933 A943 Y944	A906-S947 PolarHBondContact O-OG 3.21Å; R914-S947 PolarHBondContact NH1-O 3.47Å; V933-S947 WeakPolarHBondContact O-CA 3.48Å; A943-S947 PolarHBondContact O-N 3.41Å; Y944-S947 PolarHBondContact O-OG 2.86Å
948	E	92.5	Very high	84.9	Confident	10 Å²	10	51.8 Å²	51.8	5%	0.047	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	156	177	-164.3	50.1	-100.1	0	0	111.7	R914 R918 Y932 V933 I935 Y952 V953	R914-E948 WeakPolarHBondContact CD-OE2 3.47Å; R914-E948 IonicContact CZ-OE2 2.77Å; R914-E948 IonicContact NH1-OE2 3.38Å; R914-E948 PolarHBondContact NH1-OE2 3.47Å; R918-E948 IonicContact CZ-OE1 3.01Å; R918-E948 IonicContact NH1-OE1 2.66Å; R918-E948 PolarHBondContact NH1-OE1 2.9Å; R918-E948 IonicContact NH1-OE2 3.62Å; R918-E948 IonicContact NH2-OE1 2.63Å; R918-E948 PolarHBondContact NH2-OE1 2.83Å; Y932-E948 WeakPolarHBondContact CA-O 3.48Å; V933-E948 PolarHBondContact N-O 2.54Å; V933-E948 PolarHBondContact O-N 3.22Å; I935-E948 HydrophobicContact CD1-CB 4.5Å; I935-E948 HydrophobicContact CG2-CB 3.86Å; E948-Y952 HydrophobicContact CG-CD1 3.58Å; E948-Y952 HydrophobicContact CG-CE1 4.31Å; E948-Y952 HydrophobicContact CG-CG 4.4Å; E948-V953 HydrophobicContact CB-CG2 3.69Å; E948-V953 HydrophobicContact CG-CG2 3.69Å
949	D	88.5	Confident	85.1	Confident	12 Å²	12	48.8 Å²	48.8	6%	0.064	27%	0.268	C	S	.	.			trans	-65.9	132.6	175.8	174.3	79.8	0	0	0	110.7	I951 Y952 V953	D949-I951 VanDerWaalsContact C-N 3.29Å; D949-I951 PolarHBondContact O-N 3.49Å; D949-I951 WeakPolarHBondContact OD2-CA 3.36Å; D949-I951 VanDerWaalsContact OD2-CB 3.24Å; D949-I951 WeakPolarHBondContact OD2-CB 3.49Å; D949-I951 PolarHBondContact OD2-N 3.46Å; D949-Y952 PolarHBondContact O-N 3.24Å; D949-Y952 PolarHBondContact OD2-N 3.2Å; D949-V953 WeakPolarHBondContact O-CG2 3.31Å; D949-V953 PolarHBondContact O-N 2.76Å
950	P	86	Confident	85.8	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-58.9	-35.3	-176.9	-23.5	32.7	0	0	0	114.3	I885 V889 V933 L954 Y1088	I885-P950 HydrophobicContact CD1-CB 4.35Å; V889-P950 HydrophobicContact CG1-CG 4.34Å; V889-P950 HydrophobicContact CG2-CB 4.24Å; V889-P950 HydrophobicContact CG2-CG 3.85Å; V933-P950 HydrophobicContact CG1-CG 4.27Å; P950-L954 WeakPolarHBondContact O-CG 3.38Å; P950-L954 PolarHBondContact O-N 3.25Å; P950-Y1088 HydrophobicContact CB-CD1 4.45Å; P950-Y1088 HydrophobicContact CB-CE1 3.92Å
951	I	81.5	Confident	86.4	Confident	33 Å²	33	36.8 Å²	36.8	17%	0.169	20%	0.195	C	C	.	.	H	α-helix	trans	-70	-47.4	179.1	-56.7	175.7	0	0	0	109	D949 V953 L954 E955 R1082 F1087 Y1088	D949-I951 VanDerWaalsContact C-N 3.29Å; D949-I951 PolarHBondContact O-N 3.49Å; D949-I951 WeakPolarHBondContact OD2-CA 3.36Å; D949-I951 VanDerWaalsContact OD2-CB 3.24Å; D949-I951 WeakPolarHBondContact OD2-CB 3.49Å; D949-I951 PolarHBondContact OD2-N 3.46Å; I951-V953 PolarHBondContact O-N 2.87Å; I951-L954 WeakPolarHBondContact O-CB 3.38Å; I951-L954 PolarHBondContact O-N 2.99Å; I951-L954 VanDerWaalsContact O-N 3.07Å; I951-E955 HydrophobicContact CG2-CG 4.18Å; I951-E955 WeakPolarHBondContact O-CG 3.35Å; I951-E955 PolarHBondContact O-N 2.85Å; I951-R1082 HydrophobicContact CD1-CG 4.46Å; I951-F1087 HydrophobicContact CD1-CE1 3.67Å; I951-F1087 HydrophobicContact CD1-CZ 3.99Å; I951-F1087 HydrophobicContact CG1-CE1 3.93Å; I951-Y1088 HydrophobicContact CG1-CE1 3.78Å
952	Y	85	Confident	86.6	Confident	71 Å²	71	36.4 Å²	36.4	28%	0.278	19%	0.189	S	C	.	.	H	α-helix	trans	-57.4	-41.2	177.2	-173.2	-94.1	0	0	0	111.8	E948 D949 N956 I958	E948-Y952 HydrophobicContact CG-CD1 3.58Å; E948-Y952 HydrophobicContact CG-CE1 4.31Å; E948-Y952 HydrophobicContact CG-CG 4.4Å; D949-Y952 PolarHBondContact O-N 3.24Å; D949-Y952 PolarHBondContact OD2-N 3.2Å; Y952-N956 WeakPolarHBondContact CD2-ND2 3.42Å; Y952-N956 WeakPolarHBondContact CE2-ND2 3.48Å; Y952-N956 VanDerWaalsContact O-CB 3.27Å; Y952-N956 WeakPolarHBondContact O-CB 3.42Å; Y952-N956 PolarHBondContact O-N 3.3Å; Y952-N956 VanDerWaalsContact O-N 3.08Å; Y952-N956 PolarHBondContact O-ND2 3.05Å; Y952-I958 HydrophobicContact CD1-CD1 3.64Å; Y952-I958 HydrophobicContact CE1-CD1 3.48Å; Y952-I958 VanDerWaalsContact CE1-CD1 3.48Å
953	V	86.8	Confident	86.6	Confident	4 Å²	4	37.6 Å²	37.6	2%	0.024	19%	0.189	C	C	.	.	H	α-helix	trans	-62.1	-45.3	175.2	169	0	0	0	0	111.9	I885 V933 I935 E948 D949 I951 N957 I958 I960	I885-V953 HydrophobicContact CD1-CB 4.14Å; I885-V953 HydrophobicContact CD1-CG1 3.75Å; V933-V953 HydrophobicContact CG2-CB 4.24Å; V933-V953 HydrophobicContact CG2-CG1 4.41Å; V933-V953 HydrophobicContact CG2-CG2 3.69Å; I935-V953 HydrophobicContact CG2-CG2 3.57Å; E948-V953 HydrophobicContact CB-CG2 3.69Å; E948-V953 HydrophobicContact CG-CG2 3.69Å; D949-V953 WeakPolarHBondContact O-CG2 3.31Å; D949-V953 PolarHBondContact O-N 2.76Å; I951-V953 PolarHBondContact O-N 2.87Å; V953-N957 WeakPolarHBondContact O-CA 3.42Å; V953-N957 PolarHBondContact O-N 3.34Å; V953-I958 HydrophobicContact CG1-CB 4.21Å; V953-I958 WeakPolarHBondContact CG1-O 3.37Å; V953-I958 HydrophobicContact CG2-CB 4.35Å; V953-I958 HydrophobicContact CG2-CD1 4.5Å; V953-I958 PolarHBondContact O-N 2.94Å; V953-I960 HydrophobicContact CG1-CD1 3.81Å
954	L	77.6	Confident	86.7	Confident	29 Å²	29	37.8 Å²	37.8	15%	0.152	18%	0.181	C	C	.	.	H	α-helix	trans	-62.1	-53.5	177	-77.6	175.5	0	0	0	110.8	I885 P950 I951 N956 N957 Y1088 K1095	I885-L954 HydrophobicContact CD1-CD2 4.27Å; I885-L954 HydrophobicContact CD1-CG 4.06Å; I885-L954 HydrophobicContact CG2-CD1 3.91Å; I885-L954 HydrophobicContact CG2-CD2 3.98Å; I885-L954 HydrophobicContact CG2-CG 4.05Å; P950-L954 WeakPolarHBondContact O-CG 3.38Å; P950-L954 PolarHBondContact O-N 3.25Å; I951-L954 WeakPolarHBondContact O-CB 3.38Å; I951-L954 PolarHBondContact O-N 2.99Å; I951-L954 VanDerWaalsContact O-N 3.07Å; L954-N956 VanDerWaalsContact C-N 3.29Å; L954-N956 PolarHBondContact O-N 3.45Å; L954-N957 PolarHBondContact O-N 3.43Å; L954-N957 PolarHBondContact O-OD1 3.39Å; L954-N957 VanDerWaalsContact O-OD1 3.04Å; L954-Y1088 HydrophobicContact CD1-CD1 3.95Å; L954-K1095 PolarHBondContact O-NZ 2.95Å
955	E	79.6	Confident	86.9	Confident	126 Å²	126	34.3 Å²	34.3	59%	0.589	17%	0.167	S	C	*	.	H	α-helix	trans	-56.5	-43.3	-176.9	-74.1	178.9	170.5	0	0	112.3	I951 K1095	I951-E955 HydrophobicContact CG2-CG 4.18Å; I951-E955 WeakPolarHBondContact O-CG 3.35Å; I951-E955 PolarHBondContact O-N 2.85Å; E955-K1095 PolarHBondContact O-NZ 2.98Å
956	N	82.5	Confident	87	Confident	45 Å²	45	30.4 Å²	30.4	24%	0.241	15%	0.148	C	C	.	.	H	α-helix	trans	-93	1.6	-174.8	-69.4	-79.2	0	0	0	114.4	Y952 L954 I958 V1007	Y952-N956 WeakPolarHBondContact CD2-ND2 3.42Å; Y952-N956 WeakPolarHBondContact CE2-ND2 3.48Å; Y952-N956 VanDerWaalsContact O-CB 3.27Å; Y952-N956 WeakPolarHBondContact O-CB 3.42Å; Y952-N956 PolarHBondContact O-N 3.3Å; Y952-N956 VanDerWaalsContact O-N 3.08Å; Y952-N956 PolarHBondContact O-ND2 3.05Å; L954-N956 VanDerWaalsContact C-N 3.29Å; L954-N956 PolarHBondContact O-N 3.45Å; N956-I958 VanDerWaalsContact C-N 3.31Å; N956-I958 HydrophobicContact CB-CD1 3.98Å; N956-I958 HydrophobicContact CB-CG1 3.78Å; N956-I958 PolarHBondContact O-N 3.11Å; N956-V1007 HydrophobicContact CB-CG2 3.6Å
957	N	78.6	Confident	86.8	Confident	46 Å²	46	33.8 Å²	33.8	25%	0.246	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	47.2	-176.7	-64.8	6.1	0	0	0	112.6	V953 L954 K1006 K1095	V953-N957 WeakPolarHBondContact O-CA 3.42Å; V953-N957 PolarHBondContact O-N 3.34Å; L954-N957 PolarHBondContact O-N 3.43Å; L954-N957 PolarHBondContact O-OD1 3.39Å; L954-N957 VanDerWaalsContact O-OD1 3.04Å; N957-K1006 HydrophobicContact CB-CD 4.24Å; N957-K1006 HydrophobicContact CB-CG 4.28Å; N957-K1006 VanDerWaalsContact ND2-CE 3.3Å; N957-K1006 WeakPolarHBondContact ND2-CE 3.5Å; N957-K1006 PolarHBondContact ND2-NZ 3.36Å; N957-K1095 PolarHBondContact OD1-NZ 3.47Å
958	I	85.8	Confident	86.6	Confident	22 Å²	22	38 Å²	38	11%	0.113	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-79	129.4	-178	-56.7	174.6	0	0	0	109.6	I935 Y952 V953 N956 V1007	I935-I958 HydrophobicContact CB-CG2 3.84Å; I935-I958 HydrophobicContact CD1-CG2 3.84Å; I935-I958 HydrophobicContact CG1-CG2 4.45Å; I935-I958 HydrophobicContact CG2-CB 4.46Å; I935-I958 HydrophobicContact CG2-CG2 3.73Å; Y952-I958 HydrophobicContact CD1-CD1 3.64Å; Y952-I958 HydrophobicContact CE1-CD1 3.48Å; Y952-I958 VanDerWaalsContact CE1-CD1 3.48Å; V953-I958 HydrophobicContact CG1-CB 4.21Å; V953-I958 WeakPolarHBondContact CG1-O 3.37Å; V953-I958 HydrophobicContact CG2-CB 4.35Å; V953-I958 HydrophobicContact CG2-CD1 4.5Å; V953-I958 PolarHBondContact O-N 2.94Å; N956-I958 VanDerWaalsContact C-N 3.31Å; N956-I958 HydrophobicContact CB-CD1 3.98Å; N956-I958 HydrophobicContact CB-CG1 3.78Å; N956-I958 PolarHBondContact O-N 3.11Å; I958-V1007 HydrophobicContact CG1-CG2 4.46Å
959	P	85.5	Confident	86.5	Confident	19 Å²	19	38.8 Å²	38.8	12%	0.123	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-65.2	138	-178.9	-22.7	33.5	0	0	0	113.2	I935 K936 L1003	I935-P959 WeakPolarHBondContact CA-O 3.22Å; K936-P959 HydrophobicContact CB-CB 4.16Å; K936-P959 PolarHBondContact N-O 2.9Å; P959-L1003 HydrophobicContact CG-CB 4.46Å; P959-L1003 WeakPolarHBondContact CG-O 3.44Å
960	I	90.1	Very high	86.7	Confident	25 Å²	25	38.3 Å²	38.3	13%	0.128	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-80.9	145.3	174.8	-58.8	-60.7	0	0	0	110.9	I885 L888 V933 V953 T962 Y965	I885-I960 HydrophobicContact CD1-CD1 4.38Å; L888-I960 HydrophobicContact CD1-CG2 4.03Å; V933-I960 HydrophobicContact CB-CD1 4.3Å; V933-I960 HydrophobicContact CG2-CD1 4.05Å; V953-I960 HydrophobicContact CG1-CD1 3.81Å; I960-T962 PolarHBondContact O-N 3.3Å; I960-T962 VanDerWaalsContact O-N 3.09Å; I960-Y965 HydrophobicContact CG2-CD2 3.89Å; I960-Y965 HydrophobicContact CG2-CE2 3.65Å
961	D	91.1	Very high	86.9	Confident	26 Å²	26	39 Å²	39	14%	0.139	19%	0.19	C	C	.	.			trans	-81.5	77.9	173.7	-168.1	-12.2	0	0	0	111	I934 K946 Q963 Y964 Y965	I934-D961 HydrophobicContact CG2-CB 4.02Å; I934-D961 PolarHBondContact O-N 3.07Å; K946-D961 IonicContact NZ-OD2 3.37Å; K946-D961 PolarHBondContact NZ-OD2 2.71Å; D961-Q963 PolarHBondContact O-N 2.82Å; D961-Q963 PolarHBondContact OD1-N 3.26Å; D961-Y964 VanDerWaalsContact CG-CB 3.47Å; D961-Y964 WeakPolarHBondContact O-CB 3.23Å; D961-Y964 PolarHBondContact O-N 3.49Å; D961-Y964 VanDerWaalsContact O-N 3.09Å; D961-Y964 PolarHBondContact OD1-N 2.9Å; D961-Y964 VanDerWaalsContact OD1-N 3.12Å; D961-Y965 WeakPolarHBondContact O-CD2 3.47Å; D961-Y965 PolarHBondContact O-N 3.28Å
962	T	89.6	Confident	87.3	Confident	25 Å²	25	42.1 Å²	42.1	15%	0.153	20%	0.203	C	C	.	.	H	α-helix	trans	-58.8	-29.2	-178.8	54.1	0	0	0	0	113.1	L878 N881 I960 Y965 L966	L878-T962 VanDerWaalsContact O-CG2 3.28Å; L878-T962 WeakPolarHBondContact O-CG2 3.47Å; N881-T962 WeakPolarHBondContact OD1-CG2 3.32Å; I960-T962 PolarHBondContact O-N 3.3Å; I960-T962 VanDerWaalsContact O-N 3.09Å; T962-Y965 PolarHBondContact O-N 3.03Å; T962-L966 WeakPolarHBondContact O-CB 3.46Å; T962-L966 PolarHBondContact O-N 3.5Å
963	Q	87.4	Confident	87.6	Confident	62 Å²	62	39.1 Å²	39.1	29%	0.29	19%	0.192	S	C	.	.	H	α-helix	trans	-68.4	-41.1	176.6	-163.9	68.1	31.3	0	0	111.4	D961 Y965 L966 E967	D961-Q963 PolarHBondContact O-N 2.82Å; D961-Q963 PolarHBondContact OD1-N 3.26Å; Q963-Y965 PolarHBondContact O-N 2.99Å; Q963-L966 PolarHBondContact O-N 3.05Å; Q963-E967 HydrophobicContact CG-CG 4.36Å; Q963-E967 PolarHBondContact NE2-OE1 3.33Å; Q963-E967 WeakPolarHBondContact O-CB 3.43Å; Q963-E967 WeakPolarHBondContact O-CG 3.4Å; Q963-E967 PolarHBondContact O-N 3.09Å
964	Y	91	Very high	87.8	Confident	45 Å²	45	39 Å²	39	18%	0.176	19%	0.191	C	C	.	.	H	α-helix	trans	-58.7	-45.9	173.4	173.9	-90.7	0	0	0	111.9	I890 I934 D961 Q968 Q969	I890-Y964 HydrophobicContact CD1-CE1 4.5Å; I934-Y964 HydrophobicContact CB-CD1 3.82Å; I934-Y964 HydrophobicContact CB-CE1 4.07Å; I934-Y964 HydrophobicContact CB-CG 4.39Å; I934-Y964 HydrophobicContact CG1-CD1 3.87Å; I934-Y964 HydrophobicContact CG1-CE1 3.56Å; I934-Y964 HydrophobicContact CG2-CD1 3.85Å; I934-Y964 HydrophobicContact CG2-CD2 4.4Å; I934-Y964 HydrophobicContact CG2-CE1 4.33Å; I934-Y964 HydrophobicContact CG2-CG 3.9Å; D961-Y964 VanDerWaalsContact CG-CB 3.47Å; D961-Y964 WeakPolarHBondContact O-CB 3.23Å; D961-Y964 PolarHBondContact O-N 3.49Å; D961-Y964 VanDerWaalsContact O-N 3.09Å; D961-Y964 PolarHBondContact OD1-N 2.9Å; D961-Y964 VanDerWaalsContact OD1-N 3.12Å; Y964-Q968 HydrophobicContact CD2-CB 4.14Å; Y964-Q968 HydrophobicContact CD2-CG 3.83Å; Y964-Q968 HydrophobicContact CE2-CB 3.92Å; Y964-Q968 HydrophobicContact CE2-CG 3.83Å; Y964-Q968 WeakPolarHBondContact O-CA 3.4Å; Y964-Q968 VanDerWaalsContact O-CB 3.28Å; Y964-Q968 WeakPolarHBondContact O-CB 3.37Å; Y964-Q968 PolarHBondContact O-N 2.8Å; Y964-Q969 HydrophobicContact CE1-CG 4.16Å
965	Y	92.4	Very high	88.4	Confident	1 Å²	1	39 Å²	39	0%	0.004	19%	0.191	C	C	.	.	I	π-helix	trans	-66.3	-40.5	179	-76.4	-85.7	0	0	0	112.1	C844 L888 I890 V933 I934 I960 D961 T962 Q963 Q969 L970	C844-Y965 HydrophobicContact CB-CE1 4.37Å; L888-Y965 HydrophobicContact CB-CE1 3.91Å; L888-Y965 HydrophobicContact CD2-CD1 3.98Å; L888-Y965 HydrophobicContact CD2-CE1 4.11Å; L888-Y965 HydrophobicContact CD2-CG 4.34Å; L888-Y965 VanDerWaalsContact O-CE1 3.31Å; L888-Y965 WeakPolarHBondContact O-CE1 3.31Å; L888-Y965 PolarHBondContact O-OH 3.46Å; I890-Y965 HydrophobicContact CD1-CE1 4.32Å; V933-Y965 WeakPolarHBondContact CA-OH 2.98Å; I934-Y965 HydrophobicContact CB-CE2 4.11Å; I934-Y965 PolarHBondContact N-OH 2.74Å; I934-Y965 VanDerWaalsContact N-OH 3.14Å; I960-Y965 HydrophobicContact CG2-CD2 3.89Å; I960-Y965 HydrophobicContact CG2-CE2 3.65Å; D961-Y965 WeakPolarHBondContact O-CD2 3.47Å; D961-Y965 PolarHBondContact O-N 3.28Å; T962-Y965 PolarHBondContact O-N 3.03Å; Q963-Y965 PolarHBondContact O-N 2.99Å; Y965-Q969 HydrophobicContact CD1-CB 4.34Å; Y965-Q969 HydrophobicContact CD1-CG 3.89Å; Y965-Q969 HydrophobicContact CE1-CG 4.46Å; Y965-Q969 WeakPolarHBondContact O-CA 3.34Å; Y965-Q969 VanDerWaalsContact O-CB 3.26Å; Y965-Q969 WeakPolarHBondContact O-CB 3.33Å; Y965-Q969 PolarHBondContact O-N 3.26Å; Y965-Q969 VanDerWaalsContact O-N 3.16Å; Y965-L970 PolarHBondContact O-N 2.97Å
966	L	90.6	Very high	88.8	Confident	15 Å²	15	37 Å²	37	8%	0.079	18%	0.178	C	C	.	.	I	π-helix	trans	-62.7	-53	176.1	-179.1	60.3	0	0	0	111.8	I875 L878 L879 T962 Q963 S971 L992	I875-L966 HydrophobicContact CD1-CD1 4.32Å; I875-L966 HydrophobicContact CG1-CD1 4.03Å; I875-L966 HydrophobicContact CG2-CD1 3.92Å; L878-L966 HydrophobicContact CD2-CB 4.3Å; L879-L966 HydrophobicContact CD1-CD2 4.36Å; L879-L966 HydrophobicContact CD2-CD2 4.23Å; T962-L966 WeakPolarHBondContact O-CB 3.46Å; T962-L966 PolarHBondContact O-N 3.5Å; Q963-L966 PolarHBondContact O-N 3.05Å; L966-S971 WeakPolarHBondContact O-CB 3.38Å; L966-S971 PolarHBondContact O-N 2.72Å; L966-L992 HydrophobicContact CD1-CD2 4.24Å
967	E	88.3	Confident	89.2	Confident	93 Å²	93	34.8 Å²	34.8	44%	0.435	17%	0.166	S	C	.	.	I	π-helix	trans	-77.9	-43.9	-172.8	-68.4	178.4	179.4	0	0	113.1	Q963 S971	Q963-E967 HydrophobicContact CG-CG 4.36Å; Q963-E967 PolarHBondContact NE2-OE1 3.33Å; Q963-E967 WeakPolarHBondContact O-CB 3.43Å; Q963-E967 WeakPolarHBondContact O-CG 3.4Å; Q963-E967 PolarHBondContact O-N 3.09Å; E967-S971 PolarHBondContact O-OG 3.45Å
968	Q	89	Confident	89.7	Confident	90 Å²	90	32.7 Å²	32.7	42%	0.421	16%	0.155	S	C	.	.	I	π-helix	trans	-94.4	-27.6	-171.7	-59.4	-62.6	-21.1	0	0	113.5	Y964 K972	Y964-Q968 HydrophobicContact CD2-CB 4.14Å; Y964-Q968 HydrophobicContact CD2-CG 3.83Å; Y964-Q968 HydrophobicContact CE2-CB 3.92Å; Y964-Q968 HydrophobicContact CE2-CG 3.83Å; Y964-Q968 WeakPolarHBondContact O-CA 3.4Å; Y964-Q968 VanDerWaalsContact O-CB 3.28Å; Y964-Q968 WeakPolarHBondContact O-CB 3.37Å; Y964-Q968 PolarHBondContact O-N 2.8Å; Q968-K972 VanDerWaalsContact OE1-NZ 3.14Å
969	Q	90.6	Very high	89.8	Confident	25 Å²	25	34.8 Å²	34.8	12%	0.117	16%	0.164	C	C	.	.	I	π-helix	trans	-101.6	-48.8	-177.2	-59.3	-68.8	-39.5	0	0	112.4	V847 Y964 Y965 P973	V847-Q969 HydrophobicContact CG2-CB 3.81Å; Y964-Q969 HydrophobicContact CE1-CG 4.16Å; Y965-Q969 HydrophobicContact CD1-CB 4.34Å; Y965-Q969 HydrophobicContact CD1-CG 3.89Å; Y965-Q969 HydrophobicContact CE1-CG 4.46Å; Y965-Q969 WeakPolarHBondContact O-CA 3.34Å; Y965-Q969 VanDerWaalsContact O-CB 3.26Å; Y965-Q969 WeakPolarHBondContact O-CB 3.33Å; Y965-Q969 PolarHBondContact O-N 3.26Å; Y965-Q969 VanDerWaalsContact O-N 3.16Å; Q969-P973 WeakPolarHBondContact O-CD 3.37Å; Q969-P973 VanDerWaalsContact O-CG 3.26Å; Q969-P973 WeakPolarHBondContact O-CG 3.45Å
970	L	91.3	Very high	89.8	Confident	2 Å²	2	36 Å²	36	1%	0.01	17%	0.172	C	C	.	.	I	π-helix	trans	-92	-41.3	-172.1	-66.7	172.6	0	0	0	114.8	L846 V847 L850 L878 Y965 K972 P973 L974	L846-L970 HydrophobicContact CD2-CD1 4.22Å; L846-L970 HydrophobicContact CD2-CD2 4.41Å; L846-L970 HydrophobicContact CG-CD2 4.48Å; V847-L970 HydrophobicContact CB-CD2 4.46Å; V847-L970 HydrophobicContact CG2-CD2 3.8Å; V847-L970 HydrophobicContact CG2-CG 4.45Å; L850-L970 HydrophobicContact CD2-CD2 3.68Å; L878-L970 HydrophobicContact CD2-CD1 3.61Å; Y965-L970 PolarHBondContact O-N 2.97Å; L970-K972 PolarHBondContact O-N 2.82Å; L970-P973 WeakPolarHBondContact O-CD 3.39Å; L970-L974 HydrophobicContact CB-CD1 4.25Å; L970-L974 WeakPolarHBondContact O-CB 3.49Å; L970-L974 WeakPolarHBondContact O-CD1 3.4Å; L970-L974 VanDerWaalsContact O-CG 3.29Å; L970-L974 WeakPolarHBondContact O-CG 3.11Å; L970-L974 PolarHBondContact O-N 3.09Å; L970-L974 VanDerWaalsContact O-N 3.14Å
971	S	89.9	Confident	89.6	Confident	16 Å²	16	37 Å²	37	11%	0.112	18%	0.177	C	C	.	.	I	π-helix	trans	-59.3	-55	-170.3	76.5	0	0	0	0	112.9	L966 E967 L974 L975	L966-S971 WeakPolarHBondContact O-CB 3.38Å; L966-S971 PolarHBondContact O-N 2.72Å; E967-S971 PolarHBondContact O-OG 3.45Å; S971-L974 PolarHBondContact O-N 3.18Å; S971-L975 WeakPolarHBondContact O-CB 3.44Å; S971-L975 VanDerWaalsContact O-CG 3.23Å; S971-L975 WeakPolarHBondContact O-CG 3.45Å; S971-L975 PolarHBondContact O-N 2.85Å
972	K	89.9	Confident	89.1	Confident	98 Å²	98	38 Å²	38	43%	0.426	18%	0.182	S	C	.	.	H	α-helix	trans	-62.7	-44	-174	-60.5	169.9	-179.8	165.3	0	112.3	Q968 L970 R976	Q968-K972 VanDerWaalsContact OE1-NZ 3.14Å; L970-K972 PolarHBondContact O-N 2.82Å; K972-R976 VanDerWaalsContact O-CG 3.24Å; K972-R976 WeakPolarHBondContact O-CG 3.24Å; K972-R976 PolarHBondContact O-N 3Å
973	P	91.1	Very high	88.7	Confident	8 Å²	8	38.4 Å²	38.4	5%	0.052	19%	0.191	C	C	.	.	H	α-helix	trans	-65	-41.1	175.2	-27.1	39.1	0	0	0	113.8	E837 V847 I851 Q969 L970 R976 I977	E837-P973 HydrophobicContact CB-CB 4.4Å; E837-P973 HydrophobicContact CG-CB 3.84Å; E837-P973 HydrophobicContact CG-CG 3.69Å; V847-P973 HydrophobicContact CG1-CB 4.24Å; V847-P973 HydrophobicContact CG1-CG 4.05Å; I851-P973 HydrophobicContact CD1-CB 4.07Å; I851-P973 HydrophobicContact CG1-CB 4.11Å; Q969-P973 WeakPolarHBondContact O-CD 3.37Å; Q969-P973 VanDerWaalsContact O-CG 3.26Å; Q969-P973 WeakPolarHBondContact O-CG 3.45Å; L970-P973 WeakPolarHBondContact O-CD 3.39Å; P973-R976 PolarHBondContact O-N 3.02Å; P973-I977 PolarHBondContact O-N 3Å
974	L	91.1	Very high	88.2	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-63.8	-49	178.5	-74.9	170.4	0	0	0	111.3	L850 I851 A871 I875 L970 S971 R976 I977 F978 L991	L850-L974 HydrophobicContact CD2-CD1 3.96Å; L850-L974 HydrophobicContact CD2-CD2 3.85Å; L850-L974 HydrophobicContact CD2-CG 4.21Å; L850-L974 HydrophobicContact CG-CD2 4.19Å; I851-L974 HydrophobicContact CD1-CD2 3.71Å; I851-L974 HydrophobicContact CD1-CG 4.13Å; A871-L974 HydrophobicContact CB-CD2 4.21Å; I875-L974 HydrophobicContact CD1-CD1 4.24Å; L970-L974 HydrophobicContact CB-CD1 4.25Å; L970-L974 WeakPolarHBondContact O-CB 3.49Å; L970-L974 WeakPolarHBondContact O-CD1 3.4Å; L970-L974 VanDerWaalsContact O-CG 3.29Å; L970-L974 WeakPolarHBondContact O-CG 3.11Å; L970-L974 PolarHBondContact O-N 3.09Å; L970-L974 VanDerWaalsContact O-N 3.14Å; S971-L974 PolarHBondContact O-N 3.18Å; L974-R976 VanDerWaalsContact C-N 3.3Å; L974-R976 PolarHBondContact O-N 3.49Å; L974-I977 PolarHBondContact O-N 2.81Å; L974-I977 VanDerWaalsContact O-N 3.07Å; L974-F978 HydrophobicContact CD2-CD2 4.35Å; L974-F978 HydrophobicContact CD2-CE2 3.94Å; L974-F978 WeakPolarHBondContact O-CD2 3.41Å; L974-F978 PolarHBondContact O-N 2.69Å; L974-L991 HydrophobicContact CB-CD1 4.4Å
975	L	90.5	Very high	87.3	Confident	28 Å²	28	45.9 Å²	45.9	15%	0.147	24%	0.237	C	C	.	.	H	α-helix	trans	-55.8	-45.4	178.8	-70.6	176.2	0	0	0	111.4	S971 I977 F978 E979 A987 E988 L992	S971-L975 WeakPolarHBondContact O-CB 3.44Å; S971-L975 VanDerWaalsContact O-CG 3.23Å; S971-L975 WeakPolarHBondContact O-CG 3.45Å; S971-L975 PolarHBondContact O-N 2.85Å; L975-I977 PolarHBondContact O-N 2.71Å; L975-I977 VanDerWaalsContact O-N 3.11Å; L975-F978 PolarHBondContact O-N 3.31Å; L975-E979 WeakPolarHBondContact CB-OE1 3.46Å; L975-E979 WeakPolarHBondContact O-CB 3.4Å; L975-E979 WeakPolarHBondContact O-CG 3.34Å; L975-E979 PolarHBondContact O-N 3.33Å; L975-A987 HydrophobicContact CD2-CB 4.17Å; L975-E988 HydrophobicContact CD2-CB 3.98Å; L975-E988 HydrophobicContact CD2-CG 4.37Å; L975-L992 HydrophobicContact CD1-CD1 4.08Å; L975-L992 HydrophobicContact CD2-CD1 4.3Å; L975-L992 HydrophobicContact CG-CD1 4.32Å
976	R	88.4	Confident	86.6	Confident	84 Å²	84	51.5 Å²	51.5	32%	0.317	26%	0.261	S	S	.	.	H	α-helix	trans	-57.1	-29.5	177.7	-76.2	171.8	-171.9	153	8.1	115	I811 E837 K972 P973 L974 P980	I811-R976 HydrophobicContact CG2-CB 4Å; I811-R976 HydrophobicContact CG2-CG 4.46Å; I811-R976 WeakPolarHBondContact CG2-O 3.34Å; E837-R976 IonicContact OE1-CZ 3.6Å; E837-R976 IonicContact OE1-NH1 2.78Å; E837-R976 PolarHBondContact OE1-NH1 3.07Å; K972-R976 VanDerWaalsContact O-CG 3.24Å; K972-R976 WeakPolarHBondContact O-CG 3.24Å; K972-R976 PolarHBondContact O-N 3Å; P973-R976 PolarHBondContact O-N 3.02Å; L974-R976 VanDerWaalsContact C-N 3.3Å; L974-R976 PolarHBondContact O-N 3.49Å; R976-P980 WeakPolarHBondContact O-CD 3.41Å
977	I	90.1	Very high	86.2	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-92.3	-36.5	-176.5	-67.9	178.1	0	0	0	111.3	L809 I811 I851 L855 I858 P973 L974 L975 P980	L809-I977 HydrophobicContact CD2-CG2 4Å; I811-I977 HydrophobicContact CD1-CG1 3.89Å; I851-I977 HydrophobicContact CB-CD1 4.32Å; I851-I977 HydrophobicContact CD1-CD1 4.01Å; I851-I977 HydrophobicContact CG1-CD1 4.31Å; I851-I977 HydrophobicContact CG2-CD1 3.24Å; L855-I977 HydrophobicContact CD1-CD1 4.41Å; L855-I977 HydrophobicContact CD2-CD1 4.29Å; L855-I977 HydrophobicContact CD2-CG2 4Å; L855-I977 HydrophobicContact CG-CD1 4.3Å; I858-I977 HydrophobicContact CD1-CG2 3.94Å; P973-I977 PolarHBondContact O-N 3Å; L974-I977 PolarHBondContact O-N 2.81Å; L974-I977 VanDerWaalsContact O-N 3.07Å; L975-I977 PolarHBondContact O-N 2.71Å; L975-I977 VanDerWaalsContact O-N 3.11Å; I977-P980 WeakPolarHBondContact O-CD 3.28Å
978	F	89.2	Confident	85.9	Confident	1 Å²	1	50.3 Å²	50.3	0%	0.004	26%	0.255	C	S	.	.	H	α-helix	trans	-88.6	-25.2	-177.7	-76.2	-75.6	0	0	0	113.5	C854 I858 A867 V868 L974 L975 I981 L982 A987 L991	C854-F978 HydrophobicContact CB-CE2 4.39Å; C854-F978 HydrophobicContact CB-CZ 4.26Å; I858-F978 HydrophobicContact CD1-CD1 4.5Å; I858-F978 HydrophobicContact CD1-CE1 3.95Å; I858-F978 HydrophobicContact CD1-CZ 4.16Å; A867-F978 HydrophobicContact CB-CE1 3.96Å; A867-F978 HydrophobicContact CB-CZ 3.79Å; V868-F978 HydrophobicContact CG2-CD1 4.03Å; V868-F978 HydrophobicContact CG2-CE1 3.66Å; V868-F978 HydrophobicContact CG2-CZ 4.32Å; L974-F978 HydrophobicContact CD2-CD2 4.35Å; L974-F978 HydrophobicContact CD2-CE2 3.94Å; L974-F978 WeakPolarHBondContact O-CD2 3.41Å; L974-F978 PolarHBondContact O-N 2.69Å; L975-F978 PolarHBondContact O-N 3.31Å; F978-I981 PolarHBondContact O-N 3.45Å; F978-I981 VanDerWaalsContact O-N 3.07Å; F978-L982 HydrophobicContact CB-CD1 4.21Å; F978-L982 HydrophobicContact CD1-CD1 3.9Å; F978-L982 HydrophobicContact CG-CD1 4.43Å; F978-L982 PolarHBondContact O-N 2.94Å; F978-A987 HydrophobicContact CB-CB 4.13Å; F978-L991 HydrophobicContact CB-CD1 3.89Å; F978-L991 HydrophobicContact CD2-CD1 3.57Å; F978-L991 HydrophobicContact CE2-CD1 4.27Å; F978-L991 HydrophobicContact CG-CD1 3.83Å
979	E	88.6	Confident	85.5	Confident	67 Å²	67	48.4 Å²	48.4	31%	0.313	25%	0.251	S	S	.	.	H	α-helix	trans	-52.6	-49.4	175.7	-85.9	166.4	-162.2	0	0	112.7	L975 I981 G983 E984 A987	L975-E979 WeakPolarHBondContact CB-OE1 3.46Å; L975-E979 WeakPolarHBondContact O-CB 3.4Å; L975-E979 WeakPolarHBondContact O-CG 3.34Å; L975-E979 PolarHBondContact O-N 3.33Å; E979-I981 PolarHBondContact O-N 2.79Å; E979-I981 VanDerWaalsContact O-N 3.13Å; E979-G983 VanDerWaalsContact O-CA 3.3Å; E979-G983 WeakPolarHBondContact O-CA 3.42Å; E979-G983 PolarHBondContact O-N 3.18Å; E979-E984 HydrophobicContact CG-CB 4.39Å; E979-E984 HydrophobicContact CG-CG 4.34Å; E979-A987 HydrophobicContact CG-CB 4.42Å
980	P	86.1	Confident	85.1	Confident	44 Å²	44	49.1 Å²	49.1	29%	0.286	26%	0.258	S	S	.	.	H	α-helix	trans	-67.1	-12.4	179.6	-21.2	34.8	0	0	0	114.9	L809 R976 I977	L809-P980 HydrophobicContact CD1-CB 4.14Å; L809-P980 HydrophobicContact CD1-CG 4.32Å; R976-P980 WeakPolarHBondContact O-CD 3.41Å; I977-P980 WeakPolarHBondContact O-CD 3.28Å
981	I	84.6	Confident	84.7	Confident	46 Å²	46	49 Å²	49	24%	0.236	26%	0.257	C	S	.	.	H	α-helix	trans	-104.9	-45.5	-175	-55.9	172.7	0	0	0	110.8	Y600 I858 P864 F978 E979	Y600-I981 HydrophobicContact CG-CG1 4.4Å; I858-I981 HydrophobicContact CD1-CD1 3.84Å; I858-I981 HydrophobicContact CG1-CD1 4.26Å; I858-I981 HydrophobicContact CG2-CD1 3.73Å; P864-I981 HydrophobicContact CB-CG2 4.15Å; P864-I981 HydrophobicContact CG-CG2 4.27Å; F978-I981 PolarHBondContact O-N 3.45Å; F978-I981 VanDerWaalsContact O-N 3.07Å; E979-I981 PolarHBondContact O-N 2.79Å; E979-I981 VanDerWaalsContact O-N 3.13Å
982	L	81.8	Confident	84.5	Confident	47 Å²	47	50 Å²	50	25%	0.246	26%	0.261	C	S	.	.	H	α-helix	trans	-104.2	-18.5	-172.2	-60.6	175.5	0	0	0	113.4	V868 F978 K986	V868-L982 HydrophobicContact CG2-CD1 3.85Å; F978-L982 HydrophobicContact CB-CD1 4.21Å; F978-L982 HydrophobicContact CD1-CD1 3.9Å; F978-L982 HydrophobicContact CG-CD1 4.43Å; F978-L982 PolarHBondContact O-N 2.94Å; L982-K986 WeakPolarHBondContact O-CB 3.35Å
983	G	81.4	Confident	83.9	Confident	33 Å²	33	51.1 Å²	51.1	34%	0.34	27%	0.266	S	S	.	.			trans	87.9	154.4	-167.1	0	0	0	0	0	113	E979 K986 A987	E979-G983 VanDerWaalsContact O-CA 3.3Å; E979-G983 WeakPolarHBondContact O-CA 3.42Å; E979-G983 PolarHBondContact O-N 3.18Å; G983-K986 PolarHBondContact O-N 3.25Å; G983-A987 WeakPolarHBondContact O-CB 3.5Å; G983-A987 PolarHBondContact O-N 2.97Å
984	E	75.6	Confident	83.2	Confident	142 Å²	142	52 Å²	52	66%	0.664	28%	0.276	S	S	*	.	H	α-helix	trans	-61.9	-53.3	-168.6	-167.6	175.2	-171.8	0	0	114	E979 K986 A987 E988	E979-E984 HydrophobicContact CG-CB 4.39Å; E979-E984 HydrophobicContact CG-CG 4.34Å; E984-K986 VanDerWaalsContact C-N 3.31Å; E984-K986 PolarHBondContact O-N 3.08Å; E984-A987 PolarHBondContact O-N 3.16Å; E984-E988 PolarHBondContact O-N 3.23Å
985	T	73.1	Confident	82.3	Confident	123 Å²	123	57.2 Å²	57.2	76%	0.755	30%	0.304	S	S	*	.	H	α-helix	trans	-66.3	-33.4	-179.6	49.5	0	0	0	0	112.9	S989	T985-S989 WeakPolarHBondContact O-CB 3.31Å; T985-S989 PolarHBondContact O-N 3.03Å; T985-S989 PolarHBondContact O-OG 3.01Å
986	K	77.9	Confident	81.7	Confident	119 Å²	119	57.4 Å²	57.4	52%	0.517	30%	0.304	S	S	.	.	H	α-helix	trans	-75.8	-39	179.7	-162.6	174.9	-178.1	-179.1	0	111.5	L982 G983 E984 S989 V990	L982-K986 WeakPolarHBondContact O-CB 3.35Å; G983-K986 PolarHBondContact O-N 3.25Å; E984-K986 VanDerWaalsContact C-N 3.31Å; E984-K986 PolarHBondContact O-N 3.08Å; K986-S989 WeakPolarHBondContact CA-OG 3.25Å; K986-S989 PolarHBondContact O-OG 3.16Å; K986-V990 HydrophobicContact CG-CG2 4.05Å; K986-V990 VanDerWaalsContact O-CB 3.25Å; K986-V990 WeakPolarHBondContact O-CB 3.37Å; K986-V990 WeakPolarHBondContact O-CG2 3.22Å; K986-V990 PolarHBondContact O-N 3.34Å
987	A	81.1	Confident	81.3	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63	-47.8	177.4	0	0	0	0	0	111.6	L975 F978 E979 G983 E984 L991	L975-A987 HydrophobicContact CD2-CB 4.17Å; F978-A987 HydrophobicContact CB-CB 4.13Å; E979-A987 HydrophobicContact CG-CB 4.42Å; G983-A987 WeakPolarHBondContact O-CB 3.5Å; G983-A987 PolarHBondContact O-N 2.97Å; E984-A987 PolarHBondContact O-N 3.16Å; A987-L991 VanDerWaalsContact O-CB 3.27Å; A987-L991 WeakPolarHBondContact O-CB 3.2Å; A987-L991 WeakPolarHBondContact O-CG 3.38Å; A987-L991 PolarHBondContact O-N 3.1Å
988	E	83	Confident	80.6	Confident	82 Å²	82	63.4 Å²	63.4	38%	0.383	33%	0.329	S	S	.	.	H	α-helix	trans	-64.8	-45.8	179.5	-162.9	-157.5	138.8	0	0	112.2	L975 E984 L992 K993	L975-E988 HydrophobicContact CD2-CB 3.98Å; L975-E988 HydrophobicContact CD2-CG 4.37Å; E984-E988 PolarHBondContact O-N 3.23Å; E988-L992 HydrophobicContact CG-CD1 4.07Å; E988-L992 WeakPolarHBondContact O-CB 3.4Å; E988-L992 PolarHBondContact O-N 3.21Å; E988-K993 WeakPolarHBondContact OE1-CE 3.45Å; E988-K993 IonicContact OE1-NZ 3.69Å; E988-K993 PolarHBondContact OE1-NZ 3.45Å
989	S	81.2	Confident	79.7	Confident	50 Å²	50	67 Å²	67	35%	0.35	35%	0.354	S	S	.	.	H	α-helix	trans	-65.6	-44.3	179.6	56.1	0	0	0	0	112.4	T985 K986 K993	T985-S989 WeakPolarHBondContact O-CB 3.31Å; T985-S989 PolarHBondContact O-N 3.03Å; T985-S989 PolarHBondContact O-OG 3.01Å; K986-S989 WeakPolarHBondContact CA-OG 3.25Å; K986-S989 PolarHBondContact O-OG 3.16Å; S989-K993 CarbonylContact O-C 3.57Å; S989-K993 WeakPolarHBondContact O-CA 3.44Å; S989-K993 WeakPolarHBondContact O-CB 3.3Å; S989-K993 PolarHBondContact O-N 3.48Å
990	V	81.8	Confident	78.9	Confident	41 Å²	41	69.6 Å²	69.6	25%	0.248	36%	0.364	C	S	.	.	H	α-helix	trans	-73.2	-38.1	-176	173.4	0	0	0	0	112.5	V868 K872 K986	V868-V990 HydrophobicContact CG1-CG1 3.58Å; K872-V990 WeakPolarHBondContact CE-O 3.45Å; K986-V990 HydrophobicContact CG-CG2 4.05Å; K986-V990 VanDerWaalsContact O-CB 3.25Å; K986-V990 WeakPolarHBondContact O-CB 3.37Å; K986-V990 WeakPolarHBondContact O-CG2 3.22Å; K986-V990 PolarHBondContact O-N 3.34Å
991	L	82.5	Confident	77.9	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-87.4	-39.3	-174.2	-65.5	170.1	0	0	0	112.7	V868 A871 I875 L974 F978 A987 H996	V868-L991 HydrophobicContact CB-CD2 4.47Å; V868-L991 HydrophobicContact CG1-CD2 4.13Å; V868-L991 HydrophobicContact CG2-CD2 4.33Å; A871-L991 HydrophobicContact CB-CD2 3.95Å; I875-L991 WeakPolarHBondContact CD1-O 3.48Å; L974-L991 HydrophobicContact CB-CD1 4.4Å; F978-L991 HydrophobicContact CB-CD1 3.89Å; F978-L991 HydrophobicContact CD2-CD1 3.57Å; F978-L991 HydrophobicContact CE2-CD1 4.27Å; F978-L991 HydrophobicContact CG-CD1 3.83Å; A987-L991 VanDerWaalsContact O-CB 3.27Å; A987-L991 WeakPolarHBondContact O-CB 3.2Å; A987-L991 WeakPolarHBondContact O-CG 3.38Å; A987-L991 PolarHBondContact O-N 3.1Å; L991-H996 PolarHBondContact O-NE2 3.2Å
992	L	84.6	Confident	76.9	Confident	37 Å²	37	73.7 Å²	73.7	19%	0.194	39%	0.39	C	S	.	.	H	α-helix	trans	-108.2	-7.9	-169.5	-54.4	177.5	0	0	0	113.5	I875 L966 L975 E988	I875-L992 HydrophobicContact CD1-CD2 4.38Å; L966-L992 HydrophobicContact CD1-CD2 4.24Å; L975-L992 HydrophobicContact CD1-CD1 4.08Å; L975-L992 HydrophobicContact CD2-CD1 4.3Å; L975-L992 HydrophobicContact CG-CD1 4.32Å; E988-L992 HydrophobicContact CG-CD1 4.07Å; E988-L992 WeakPolarHBondContact O-CB 3.4Å; E988-L992 PolarHBondContact O-N 3.21Å
993	K	77.9	Confident	76	Confident	120 Å²	120	76.1 Å²	76.1	52%	0.522	40%	0.403	S	S	.	.	S	Bend	trans	-126.9	128.6	177.8	-55.6	173.4	-173	158.9	0	108.7	E988 S989	E988-K993 WeakPolarHBondContact OE1-CE 3.45Å; E988-K993 IonicContact OE1-NZ 3.69Å; E988-K993 PolarHBondContact OE1-NZ 3.45Å; S989-K993 CarbonylContact O-C 3.57Å; S989-K993 WeakPolarHBondContact O-CA 3.44Å; S989-K993 WeakPolarHBondContact O-CB 3.3Å; S989-K993 PolarHBondContact O-N 3.48Å
994	G	75.9	Confident	75	Confident	26 Å²	26	79.3 Å²	79.3	27%	0.268	42%	0.416	S	S	.	.	S	Bend	trans	153.6	177.8	-180	0	0	0	0	0	113.1	H996 T997	G994-H996 PolarHBondContact O-N 3.25Å; G994-T997 PolarHBondContact N-OG1 3.45Å; G994-T997 PolarHBondContact O-N 3.07Å; G994-T997 PolarHBondContact O-OG1 2.91Å
995	D	73.8	Confident	74.3	Confident	112 Å²	112	73.8 Å²	73.8	60%	0.599	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-62.5	-32.2	-176.6	-67.1	-37.4	0	0	0	112.5	T997 R998	D995-T997 PolarHBondContact O-N 3.11Å; D995-T997 VanDerWaalsContact O-N 3.09Å; D995-R998 PolarHBondContact O-N 2.95Å; D995-R998 WeakPolarHBondContact OD1-CD 3.45Å; D995-R998 IonicContact OD1-CZ 3.89Å; D995-R998 IonicContact OD1-NE 3.76Å; D995-R998 IonicContact OD1-NH1 3.17Å; D995-R998 PolarHBondContact OD1-NH1 2.72Å
996	H	77	Confident	73.8	Confident	32 Å²	32	74.7 Å²	74.7	15%	0.148	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-62	-17.1	175.3	64.3	-69.2	0	0	0	113.9	K872 L991 G994	K872-H996 HydrophobicContact CB-CB 4.38Å; L991-H996 PolarHBondContact O-NE2 3.2Å; G994-H996 PolarHBondContact O-N 3.25Å
997	T	79.8	Confident	72.9	Confident	24 Å²	24	72.1 Å²	72.1	15%	0.147	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-100.6	-7	176	62.5	0	0	0	0	114.6	I875 L879 G994 D995	I875-T997 HydrophobicContact CG2-CG2 3.8Å; L879-T997 HydrophobicContact CD1-CG2 4.2Å; G994-T997 PolarHBondContact N-OG1 3.45Å; G994-T997 PolarHBondContact O-N 3.07Å; G994-T997 PolarHBondContact O-OG1 2.91Å; D995-T997 PolarHBondContact O-N 3.11Å; D995-T997 VanDerWaalsContact O-N 3.09Å
998	R	75.9	Confident	72.1	Confident	185 Å²	185	74.1 Å²	74.1	70%	0.698	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-30.2	-175.6	-67.5	178.9	178.3	171.8	-8.5	112.4	D995 K1000	D995-R998 PolarHBondContact O-N 2.95Å; D995-R998 WeakPolarHBondContact OD1-CD 3.45Å; D995-R998 IonicContact OD1-CZ 3.89Å; D995-R998 IonicContact OD1-NE 3.76Å; D995-R998 IonicContact OD1-NH1 3.17Å; D995-R998 PolarHBondContact OD1-NH1 2.72Å; R998-K1000 PolarHBondContact O-N 2.95Å
999	C	69.1	Low	71.3	Confident	78 Å²	78	73.2 Å²	73.2	53%	0.527	42%	0.415	S	S	.	.			trans	-78.4	114.9	176.6	-64.3	0	0	0	0	110.5
1000	K	71.9	Confident	70.6	Confident	120 Å²	120	77.9 Å²	77.9	52%	0.522	44%	0.435	S	S	.	.			trans	-127.3	123.8	177.9	-62.5	-172.5	-178.9	-170	0	110.6	R998	R998-K1000 PolarHBondContact O-N 2.95Å
1001	T	66.8	Low	69.9	Low	72 Å²	72	79.5 Å²	79.5	44%	0.442	44%	0.441	S	S	.	.			trans	-90.7	123.4	172.1	-54.7	0	0	0	0	108.9	L879 C880 N881	L879-T1001 PolarHBondContact O-N 3.23Å; L879-T1001 VanDerWaalsContact O-N 3.09Å; C880-T1001 WeakPolarHBondContact CA-OG1 3.49Å; C880-T1001 WeakPolarHBondContact O-CB 3.36Å; C880-T1001 PolarHBondContact O-OG1 3Å; C880-T1001 VanDerWaalsContact O-OG1 3.13Å; N881-T1001 PolarHBondContact ND2-O 3.37Å
1002	V	62.8	Low	69.1	Low	104 Å²	104	83.6 Å²	83.6	63%	0.63	47%	0.474	S	S	*	.			trans	-103.9	114.4	177.8	-175.9	0	0	0	0	109.3
1003	L	62.2	Low	68.4	Low	98 Å²	98	90 Å²	90	51%	0.513	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-83.1	143.5	171	-70.6	165.4	0	0	0	110.4	N881 P959	N881-L1003 HydrophobicContact CB-CD1 4.18Å; P959-L1003 HydrophobicContact CG-CB 4.46Å; P959-L1003 WeakPolarHBondContact CG-O 3.44Å
1004	T	60.3	Low	68	Low	100 Å²	100	87.4 Å²	87.4	61%	0.613	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-100.7	125.5	176.7	-36.8	0	0	0	0	109.6	M1011	T1004-M1011 HydrophobicContact CG2-CE 3.5Å; T1004-M1011 VanDerWaalsContact CG2-CE 3.5Å; T1004-M1011 HydrophobicContact CG2-SD 3.88Å
1005	S	61.9	Low	67.6	Low	27 Å²	27	94 Å²	94	19%	0.189	53%	0.526	C	S	.	.	P	Polyproline II helix	trans	-64.4	144.2	178.9	-178.2	0	0	0	0	111.9	V1007 M1011	S1005-V1007 PolarHBondContact OG-N 3.45Å; S1005-V1007 PolarHBondContact OG-O 3.08Å; S1005-V1007 VanDerWaalsContact OG-O 3.12Å; S1005-M1011 WeakPolarHBondContact O-CG 3.35Å
1006	K	62.9	Low	67.5	Low	141 Å²	141	98.5 Å²	98.5	61%	0.613	54%	0.54	S	S	*	.	S	Bend	trans	-83.4	-13.1	167.6	-69.2	-178.9	174.9	173.5	0	113.2	N957	N957-K1006 HydrophobicContact CB-CD 4.24Å; N957-K1006 HydrophobicContact CB-CG 4.28Å; N957-K1006 VanDerWaalsContact ND2-CE 3.3Å; N957-K1006 WeakPolarHBondContact ND2-CE 3.5Å; N957-K1006 PolarHBondContact ND2-NZ 3.36Å
1007	V	58.8	Low	67.6	Low	65 Å²	65	105.5 Å²	105.5	39%	0.394	57%	0.565	S	S	.	*			trans	-101.9	129.2	-175.1	-172.5	0	0	0	0	110.5	N956 I958 S1005	N956-V1007 HydrophobicContact CB-CG2 3.6Å; I958-V1007 HydrophobicContact CG1-CG2 4.46Å; S1005-V1007 PolarHBondContact OG-N 3.45Å; S1005-V1007 PolarHBondContact OG-O 3.08Å; S1005-V1007 VanDerWaalsContact OG-O 3.12Å
1008	G	63.8	Low	67.8	Low	42 Å²	42	105.5 Å²	105.5	43%	0.433	57%	0.566	S	S	.	*	S	Bend	trans	140.3	141.3	174.6	0	0	0	0	0	111.9	L1010 M1011	G1008-L1010 PolarHBondContact O-N 3.25Å; G1008-L1010 VanDerWaalsContact O-N 3.11Å; G1008-M1011 PolarHBondContact O-N 3.49Å
1009	G	65.6	Low	68.4	Low	64 Å²	64	99.1 Å²	99.1	66%	0.66	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-30.6	-176.3	0	0	0	0	0	114.2	F1013	G1009-F1013 WeakPolarHBondContact O-CD2 3.49Å; G1009-F1013 VanDerWaalsContact O-CE2 3.29Å; G1009-F1013 WeakPolarHBondContact O-CE2 3.35Å
1010	L	67.6	Low	69.3	Low	147 Å²	147	95.4 Å²	95.4	77%	0.77	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-31.1	176.6	-159.7	79.3	0	0	0	113.2	G1008 A1012 F1013	G1008-L1010 PolarHBondContact O-N 3.25Å; G1008-L1010 VanDerWaalsContact O-N 3.11Å; L1010-A1012 VanDerWaalsContact C-N 3.3Å; L1010-A1012 PolarHBondContact O-N 3.06Å; L1010-F1013 PolarHBondContact O-N 3.34Å; L1010-F1013 VanDerWaalsContact O-N 3.14Å
1011	M	66.7	Low	69.9	Low	76 Å²	76	90.2 Å²	90.2	37%	0.374	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-73.7	-22.8	-176.6	-69.3	-62.4	-177.8	0	0	112.7	T1004 S1005 G1008 F1013 A1014	T1004-M1011 HydrophobicContact CG2-CE 3.5Å; T1004-M1011 VanDerWaalsContact CG2-CE 3.5Å; T1004-M1011 HydrophobicContact CG2-SD 3.88Å; S1005-M1011 WeakPolarHBondContact O-CG 3.35Å; G1008-M1011 PolarHBondContact O-N 3.49Å; M1011-F1013 PolarHBondContact O-N 3.22Å; M1011-A1014 WeakPolarHBondContact O-CB 3.26Å; M1011-A1014 PolarHBondContact O-N 3.28Å; M1011-A1014 HydrophobicContact SD-CB 4.3Å
1012	A	65.8	Low	70.9	Confident	85 Å²	85	88.4 Å²	88.4	70%	0.702	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-62.5	-23.1	169.9	0	0	0	0	0	112.9	L1010	L1010-A1012 VanDerWaalsContact C-N 3.3Å; L1010-A1012 PolarHBondContact O-N 3.06Å
1013	F	70.4	Confident	72	Confident	173 Å²	173	86.6 Å²	86.6	76%	0.759	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-102.1	2.5	178.4	-56.8	-74	0	0	0	113.4	G1009 L1010 M1011 Q1015	G1009-F1013 WeakPolarHBondContact O-CD2 3.49Å; G1009-F1013 VanDerWaalsContact O-CE2 3.29Å; G1009-F1013 WeakPolarHBondContact O-CE2 3.35Å; L1010-F1013 PolarHBondContact O-N 3.34Å; L1010-F1013 VanDerWaalsContact O-N 3.14Å; M1011-F1013 PolarHBondContact O-N 3.22Å; F1013-Q1015 PolarHBondContact O-N 3.23Å
1014	A	68.5	Low	73.1	Confident	65 Å²	65	88.5 Å²	88.5	54%	0.537	49%	0.492	S	S	.	.			trans	-76.1	115.6	-179.6	0	0	0	0	0	110.8	M1011	M1011-A1014 WeakPolarHBondContact O-CB 3.26Å; M1011-A1014 PolarHBondContact O-N 3.28Å; M1011-A1014 HydrophobicContact SD-CB 4.3Å
1015	Q	68.6	Low	74.3	Confident	165 Å²	165	85.9 Å²	85.9	77%	0.771	48%	0.48	S	S	*	.			trans	-81	118	171.3	-73.2	-177.8	-11.7	0	0	110.4	F1013 R1017	F1013-Q1015 PolarHBondContact O-N 3.23Å; Q1015-R1017 PolarHBondContact O-N 3.15Å
1016	K	71.1	Confident	75.5	Confident	205 Å²	205	89 Å²	89	89%	0.891	50%	0.498	S	S	*	.			trans	-73.8	106.9	173.5	-168	178	-177.5	-177.2	0	108.8
1017	R	79.8	Confident	76.6	Confident	179 Å²	179	83.5 Å²	83.5	68%	0.675	48%	0.475	S	S	*	.			trans	-87.5	135.1	172	-64.9	-171.3	178.7	-173.5	-0.4	110.1	Q1015 V1026	Q1015-R1017 PolarHBondContact O-N 3.15Å; R1017-V1026 HydrophobicContact CB-CG1 3.89Å
1018	S	83.3	Confident	77.6	Confident	24 Å²	24	90.8 Å²	90.8	17%	0.168	50%	0.501	C	S	.	.			trans	-66.8	139.6	175.8	-75.7	0	0	0	0	111	L1027 D1030	S1018-L1027 PolarHBondContact O-N 2.93Å; S1018-D1030 WeakPolarHBondContact CB-OD1 3.31Å; S1018-D1030 PolarHBondContact OG-OD1 3.41Å
1019	T	88.1	Confident	78.3	Confident	52 Å²	52	93.2 Å²	93.2	32%	0.319	51%	0.508	S	S	.	.	B	Isolated β-bridge	trans	-123.9	144.8	178.8	58.2	0	0	0	0	110.4	I1021 A1025 V1026 R1106	T1019-I1021 PolarHBondContact O-N 2.92Å; T1019-A1025 CarbonylContact C-O 3.58Å; T1019-A1025 VanDerWaalsContact CA-O 3.29Å; T1019-A1025 WeakPolarHBondContact CA-O 3.41Å; T1019-V1026 HydrophobicContact CG2-CG2 4.33Å; T1019-R1106 PolarHBondContact O-NH1 2.97Å; T1019-R1106 VanDerWaalsContact O-NH1 3.12Å; T1019-R1106 PolarHBondContact O-NH2 3.41Å
1020	C	87.7	Confident	79	Confident	0 Å²	0	95.8 Å²	95.8	0%	0	51%	0.507	C	S	.	.			trans	-56.7	129.5	172.8	175.1	0	0	0	0	110.5	G1022 K1024 A1025 L1027 C1034	C1020-G1022 VanDerWaalsContact C-N 3.33Å; C1020-G1022 PolarHBondContact O-N 3.29Å; C1020-K1024 WeakPolarHBondContact O-CA 3.23Å; C1020-K1024 PolarHBondContact O-N 2.63Å; C1020-A1025 HydrophobicContact CB-CB 4.48Å; C1020-A1025 PolarHBondContact N-O 2.97Å; C1020-L1027 HydrophobicContact CB-CD1 4.26Å; C1020-L1027 HydrophobicContact CB-CD2 4.21Å; C1020-L1027 HydrophobicContact CB-CG 4.35Å; C1020-C1034 HydrophobicContact CB-CB 4.03Å; C1020-C1034 PolarHBondContact SG-N 3.37Å; C1020-C1034 VanDerWaalsContact SG-SG 3.63Å
1021	I	86.3	Confident	79.8	Confident	10 Å²	10	90.9 Å²	90.9	5%	0.051	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-40	-178.6	-69	167.9	0	0	0	111.3	T1019 K1024 A1032 E1048 L1103 F1107	T1019-I1021 PolarHBondContact O-N 2.92Å; I1021-K1024 PolarHBondContact O-NZ 2.77Å; I1021-A1032 HydrophobicContact CD1-CB 3.89Å; I1021-A1032 WeakPolarHBondContact CG1-O 3.48Å; I1021-A1032 PolarHBondContact N-O 3.35Å; I1021-E1048 HydrophobicContact CG2-CG 4.23Å; I1021-L1103 HydrophobicContact CD1-CD2 3.62Å; I1021-L1103 HydrophobicContact CD1-CG 4.11Å; I1021-L1103 HydrophobicContact CG1-CD2 4.34Å; I1021-F1107 HydrophobicContact CD1-CD2 4.32Å; I1021-F1107 HydrophobicContact CD1-CE2 3.39Å; I1021-F1107 HydrophobicContact CD1-CZ 3.54Å
1022	G	86	Confident	80.7	Confident	35 Å²	35	87.4 Å²	87.4	36%	0.361	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-57.2	-177.7	0	0	0	0	0	114.2	C1020	C1020-G1022 VanDerWaalsContact C-N 3.33Å; C1020-G1022 PolarHBondContact O-N 3.29Å
1023	C	86.3	Confident	81.9	Confident	66 Å²	66	83.9 Å²	83.9	45%	0.446	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	0.3	-172.6	68.9	0	0	0	0	115.2	A1025	C1023-A1025 PolarHBondContact O-N 3.02Å; C1023-A1025 VanDerWaalsContact O-N 3.13Å
1024	K	85.4	Confident	82.8	Confident	138 Å²	138	76.6 Å²	76.6	60%	0.6	41%	0.411	S	S	*	.			trans	61.8	11.7	-178.6	-49.9	-53.9	-174.6	-161.4	0	115.9	C1020 I1021	C1020-K1024 WeakPolarHBondContact O-CA 3.23Å; C1020-K1024 PolarHBondContact O-N 2.63Å; I1021-K1024 PolarHBondContact O-NZ 2.77Å
1025	A	86.4	Confident	83.6	Confident	45 Å²	45	80.6 Å²	80.6	37%	0.372	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-62.4	139	172.1	0	0	0	0	0	111.5	T1019 C1020 C1023	T1019-A1025 CarbonylContact C-O 3.58Å; T1019-A1025 VanDerWaalsContact CA-O 3.29Å; T1019-A1025 WeakPolarHBondContact CA-O 3.41Å; C1020-A1025 HydrophobicContact CB-CB 4.48Å; C1020-A1025 PolarHBondContact N-O 2.97Å; C1023-A1025 PolarHBondContact O-N 3.02Å; C1023-A1025 VanDerWaalsContact O-N 3.13Å
1026	V	86.5	Confident	84.6	Confident	91 Å²	91	81.3 Å²	81.3	55%	0.552	42%	0.424	S	S	*	.	B	Isolated β-bridge	trans	-68.7	131	177.3	-177.4	0	0	0	0	109.8	R1017 T1019	R1017-V1026 HydrophobicContact CB-CG1 3.89Å; T1019-V1026 HydrophobicContact CG2-CG2 4.33Å
1027	L	85.7	Confident	85.4	Confident	27 Å²	27	72.3 Å²	72.3	14%	0.141	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-102.1	151.2	-179.5	-58.4	174.1	0	0	0	110.7	S1018 C1020 T1029 A1031 C1034	S1018-L1027 PolarHBondContact O-N 2.93Å; C1020-L1027 HydrophobicContact CB-CD1 4.26Å; C1020-L1027 HydrophobicContact CB-CD2 4.21Å; C1020-L1027 HydrophobicContact CB-CG 4.35Å; L1027-T1029 VanDerWaalsContact CB-O 3.3Å; L1027-T1029 WeakPolarHBondContact CB-O 3.34Å; L1027-A1031 WeakPolarHBondContact CD1-O 3.44Å; L1027-C1034 HydrophobicContact CD2-CB 3.72Å
1028	K	79.6	Confident	85.8	Confident	217 Å²	217	69.8 Å²	69.8	94%	0.943	38%	0.38	S	S	*	.	S	Bend	trans	-83.8	-18.3	173.3	-64.5	-176.9	-179.8	179.4	0	112.4
1029	T	79.8	Confident	86.1	Confident	93 Å²	93	78.4 Å²	78.4	57%	0.571	42%	0.415	S	S	*	.	S	Bend	trans	-124.3	167.4	-179.4	57.9	0	0	0	0	109.9	L1027 A1031	L1027-T1029 VanDerWaalsContact CB-O 3.3Å; L1027-T1029 WeakPolarHBondContact CB-O 3.34Å; T1029-A1031 PolarHBondContact O-N 3.38Å
1030	D	79.9	Confident	86.3	Confident	119 Å²	119	82 Å²	82	64%	0.636	43%	0.426	S	S	*	.	S	Bend	trans	-79.8	8	-179.9	-76	-27.2	0	0	0	115	S1018 R1106	S1018-D1030 WeakPolarHBondContact CB-OD1 3.31Å; S1018-D1030 PolarHBondContact OG-OD1 3.41Å; D1030-R1106 PolarHBondContact O-NE 3.01Å; D1030-R1106 VanDerWaalsContact O-NE 3.16Å
1031	A	84	Confident	86.3	Confident	43 Å²	43	84.9 Å²	84.9	36%	0.355	44%	0.439	S	S	.	.			trans	-52.4	144.7	177.4	0	0	0	0	0	112.3	L1027 T1029 R1106	L1027-A1031 WeakPolarHBondContact CD1-O 3.44Å; T1029-A1031 PolarHBondContact O-N 3.38Å; A1031-R1106 PolarHBondContact O-NH2 2.95Å
1032	A	86.6	Confident	86.6	Confident	3 Å²	3	88.3 Å²	88.3	3%	0.025	46%	0.464	C	S	.	.	S	Bend	trans	-63.9	-40.9	179.9	0	0	0	0	0	113.7	I1021 R1106 F1107	I1021-A1032 HydrophobicContact CD1-CB 3.89Å; I1021-A1032 WeakPolarHBondContact CG1-O 3.48Å; I1021-A1032 PolarHBondContact N-O 3.35Å; A1032-R1106 HydrophobicContact CB-CB 3.94Å; A1032-R1106 WeakPolarHBondContact CB-O 3.47Å; A1032-R1106 PolarHBondContact N-O 2.7Å; A1032-F1107 HydrophobicContact CB-CB 4.36Å; A1032-F1107 HydrophobicContact CB-CD1 3.47Å; A1032-F1107 VanDerWaalsContact CB-CD1 3.47Å; A1032-F1107 HydrophobicContact CB-CD2 3.84Å; A1032-F1107 HydrophobicContact CB-CE1 3.63Å; A1032-F1107 HydrophobicContact CB-CE2 3.98Å; A1032-F1107 HydrophobicContact CB-CG 3.6Å; A1032-F1107 HydrophobicContact CB-CZ 3.88Å
1033	V	89.7	Confident	86.9	Confident	11 Å²	11	92.4 Å²	92.4	7%	0.067	47%	0.474	C	S	.	.	S	Bend	trans	-126.7	152.4	-173.3	-64.2	0	0	0	0	111.7	C1037 K1038 E1041 L1044 F1107	V1033-C1037 HydrophobicContact CB-CB 4.25Å; V1033-K1038 HydrophobicContact CG2-CB 4.41Å; V1033-K1038 HydrophobicContact CG2-CG 4.42Å; V1033-E1041 HydrophobicContact CG2-CB 4.31Å; V1033-E1041 HydrophobicContact CG2-CG 4.14Å; V1033-L1044 HydrophobicContact CG1-CD1 3.79Å; V1033-F1107 HydrophobicContact CG1-CE1 4.06Å
1034	C	89	Confident	87.1	Confident	21 Å²	21	90.6 Å²	90.6	14%	0.142	46%	0.46	C	S	.	.			trans	-78.2	163.7	169	69	0	0	0	0	110.8	C1020 L1027 F1036 C1037 K1038	C1020-C1034 HydrophobicContact CB-CB 4.03Å; C1020-C1034 PolarHBondContact SG-N 3.37Å; C1020-C1034 VanDerWaalsContact SG-SG 3.63Å; L1027-C1034 HydrophobicContact CD2-CB 3.72Å; C1034-F1036 PolarHBondContact O-N 3.38Å; C1034-F1036 VanDerWaalsContact O-N 3.08Å; C1034-C1037 PolarHBondContact O-N 2.83Å; C1034-C1037 PolarHBondContact SG-N 3.13Å; C1034-C1037 VanDerWaalsContact SG-N 3.41Å; C1034-K1038 PolarHBondContact O-N 3.2Å
1035	D	86.6	Confident	87.4	Confident	148 Å²	148	88.6 Å²	88.6	79%	0.791	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-32.5	179.5	-58.5	-40.3	0	0	0	113.1	K1038	D1035-K1038 WeakPolarHBondContact O-CB 3.38Å
1036	F	88	Confident	87.7	Confident	181 Å²	181	92.3 Å²	92.3	79%	0.794	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-41.6	176.2	-176	-95.6	0	0	0	113	C1034 K1038	C1034-F1036 PolarHBondContact O-N 3.38Å; C1034-F1036 VanDerWaalsContact O-N 3.08Å; F1036-K1038 VanDerWaalsContact C-N 3.31Å
1037	C	89.6	Confident	88	Confident	15 Å²	15	94.9 Å²	94.9	10%	0.101	46%	0.462	C	S	.	.	G	3₁₀ helix	trans	-82.8	-7.7	-179.4	-70.9	0	0	0	0	113.3	V1033 C1034 K1039 K1040 E1041	V1033-C1037 HydrophobicContact CB-CB 4.25Å; C1034-C1037 PolarHBondContact O-N 2.83Å; C1034-C1037 PolarHBondContact SG-N 3.13Å; C1034-C1037 VanDerWaalsContact SG-N 3.41Å; C1037-K1039 PolarHBondContact O-N 3.42Å; C1037-K1039 VanDerWaalsContact O-N 3.15Å; C1037-K1040 PolarHBondContact O-N 3.24Å; C1037-E1041 PolarHBondContact O-N 3.26Å
1038	K	87.3	Confident	88.3	Confident	126 Å²	126	95 Å²	95	55%	0.548	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-55.9	-31.9	-179	-159.7	168.6	-172.6	172	0	113.5	V1033 C1034 D1035 F1036 K1040 E1041	V1033-K1038 HydrophobicContact CG2-CB 4.41Å; V1033-K1038 HydrophobicContact CG2-CG 4.42Å; C1034-K1038 PolarHBondContact O-N 3.2Å; D1035-K1038 WeakPolarHBondContact O-CB 3.38Å; F1036-K1038 VanDerWaalsContact C-N 3.31Å; K1038-K1040 PolarHBondContact O-N 2.87Å; K1038-E1041 WeakPolarHBondContact CG-OE2 3.44Å; K1038-E1041 WeakPolarHBondContact O-CB 3.29Å; K1038-E1041 PolarHBondContact O-N 2.84Å; K1038-E1041 VanDerWaalsContact O-N 3.11Å
1039	K	90.1	Very high	88.9	Confident	206 Å²	206	87.5 Å²	87.5	90%	0.896	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-61.5	-24	174.4	-62.7	-177.2	-179	-178.5	0	113.9	C1037	C1037-K1039 PolarHBondContact O-N 3.42Å; C1037-K1039 VanDerWaalsContact O-N 3.15Å
1040	K	91.1	Very high	89.5	Confident	128 Å²	128	90.2 Å²	90.2	56%	0.557	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-107	15.2	178.7	-60.5	-167.9	176.9	-164.1	0	112.6	C1037 K1038 S1042 E1043 L1044	C1037-K1040 PolarHBondContact O-N 3.24Å; K1038-K1040 PolarHBondContact O-N 2.87Å; K1040-S1042 VanDerWaalsContact C-N 3.34Å; K1040-S1042 PolarHBondContact O-N 3.07Å; K1040-E1043 PolarHBondContact O-N 3.02Å; K1040-L1044 WeakPolarHBondContact O-CG 3.48Å; K1040-L1044 PolarHBondContact O-N 2.87Å
1041	E	89.3	Confident	90	Very high	59 Å²	59	89 Å²	89	28%	0.276	43%	0.426	S	S	.	.	H	α-helix	trans	-59.2	-43.6	-174.9	-177.5	164.8	-148.2	0	0	112.4	V1033 C1037 K1038 E1043 L1044 Y1045 F1107	V1033-E1041 HydrophobicContact CG2-CB 4.31Å; V1033-E1041 HydrophobicContact CG2-CG 4.14Å; C1037-E1041 PolarHBondContact O-N 3.26Å; K1038-E1041 WeakPolarHBondContact CG-OE2 3.44Å; K1038-E1041 WeakPolarHBondContact O-CB 3.29Å; K1038-E1041 PolarHBondContact O-N 2.84Å; K1038-E1041 VanDerWaalsContact O-N 3.11Å; E1041-E1043 PolarHBondContact O-N 3.23Å; E1041-L1044 PolarHBondContact O-N 3.28Å; E1041-Y1045 WeakPolarHBondContact O-CB 3.42Å; E1041-Y1045 PolarHBondContact O-N 3.09Å; E1041-F1107 HydrophobicContact CG-CD1 4.05Å; E1041-F1107 HydrophobicContact CG-CE1 4.14Å
1042	S	90.8	Very high	90.4	Very high	82 Å²	82	87.7 Å²	87.7	57%	0.573	41%	0.413	S	S	*	.	H	α-helix	trans	-60.3	-46	176.8	-179.6	0	0	0	0	112.8	K1040 Y1045 Q1046	K1040-S1042 VanDerWaalsContact C-N 3.34Å; K1040-S1042 PolarHBondContact O-N 3.07Å; S1042-Y1045 PolarHBondContact O-N 3.43Å; S1042-Q1046 WeakPolarHBondContact O-CB 3.43Å; S1042-Q1046 VanDerWaalsContact O-CG 3.32Å; S1042-Q1046 WeakPolarHBondContact O-CG 3.45Å; S1042-Q1046 PolarHBondContact O-N 3.04Å
1043	E	92.3	Very high	90.8	Very high	121 Å²	121	92 Å²	92	57%	0.565	44%	0.436	S	S	*	.	H	α-helix	trans	-63.1	-43.8	177.6	-174.1	-169.4	167.4	0	0	111.4	K1040 E1041 Q1046 K1047	K1040-E1043 PolarHBondContact O-N 3.02Å; E1041-E1043 PolarHBondContact O-N 3.23Å; E1043-Q1046 PolarHBondContact O-N 3.04Å; E1043-K1047 PolarHBondContact O-N 2.68Å
1044	L	91.4	Very high	90.9	Very high	28 Å²	28	93.7 Å²	93.7	15%	0.147	45%	0.451	C	S	.	.	H	α-helix	trans	-65	-41.2	177.5	-68.8	172.3	0	0	0	111.5	V1033 K1040 E1041 K1047 E1048 F1107	V1033-L1044 HydrophobicContact CG1-CD1 3.79Å; K1040-L1044 WeakPolarHBondContact O-CG 3.48Å; K1040-L1044 PolarHBondContact O-N 2.87Å; E1041-L1044 PolarHBondContact O-N 3.28Å; L1044-K1047 PolarHBondContact O-N 2.9Å; L1044-E1048 WeakPolarHBondContact O-CG 3.47Å; L1044-E1048 PolarHBondContact O-N 3.35Å; L1044-E1048 VanDerWaalsContact O-N 3.1Å; L1044-F1107 HydrophobicContact CB-CE1 4.49Å; L1044-F1107 HydrophobicContact CB-CZ 4.31Å
1045	Y	92.1	Very high	91.1	Very high	96 Å²	96	93.3 Å²	93.3	38%	0.376	45%	0.447	S	S	.	.	H	α-helix	trans	-62.7	-48.7	175.5	-179.7	-96.1	0	0	0	111.6	E1041 S1042 K1047 E1048 I1049 V1104 F1107	E1041-Y1045 WeakPolarHBondContact O-CB 3.42Å; E1041-Y1045 PolarHBondContact O-N 3.09Å; S1042-Y1045 PolarHBondContact O-N 3.43Å; Y1045-K1047 PolarHBondContact O-N 3.08Å; Y1045-E1048 PolarHBondContact O-N 2.84Å; Y1045-I1049 HydrophobicContact CE1-CB 4.35Å; Y1045-I1049 HydrophobicContact CE1-CG2 4.42Å; Y1045-I1049 WeakPolarHBondContact O-CB 3.36Å; Y1045-I1049 WeakPolarHBondContact O-CG2 3.41Å; Y1045-I1049 PolarHBondContact O-N 2.7Å; Y1045-V1104 HydrophobicContact CE2-CG1 4.08Å; Y1045-F1107 HydrophobicContact CD2-CB 3.82Å; Y1045-F1107 HydrophobicContact CD2-CD1 4.15Å; Y1045-F1107 AromaticContact CD2-CD2 3.85Å; Y1045-F1107 HydrophobicContact CD2-CD2 3.85Å; Y1045-F1107 HydrophobicContact CD2-CE2 4.41Å; Y1045-F1107 AromaticContact CD2-CG 3.69Å; Y1045-F1107 HydrophobicContact CD2-CG 3.69Å; Y1045-F1107 HydrophobicContact CE2-CB 4.17Å; Y1045-F1107 HydrophobicContact CE2-CG 4.45Å
1046	Q	92.5	Very high	91.4	Very high	123 Å²	123	90.7 Å²	90.7	58%	0.575	43%	0.431	S	S	*	.	H	α-helix	trans	-57.4	-36.4	177.1	-75.3	177.7	-2.3	0	0	112.6	S1042 E1043 I1049 F1050	S1042-Q1046 WeakPolarHBondContact O-CB 3.43Å; S1042-Q1046 VanDerWaalsContact O-CG 3.32Å; S1042-Q1046 WeakPolarHBondContact O-CG 3.45Å; S1042-Q1046 PolarHBondContact O-N 3.04Å; E1043-Q1046 PolarHBondContact O-N 3.04Å; Q1046-I1049 WeakPolarHBondContact O-CG2 3.27Å; Q1046-F1050 WeakPolarHBondContact O-CB 3.45Å; Q1046-F1050 PolarHBondContact O-N 3Å
1047	K	92.3	Very high	91.8	Very high	145 Å²	145	87.3 Å²	87.3	63%	0.63	42%	0.417	S	S	*	.	H	α-helix	trans	-68.3	-48	176.5	-174.7	-179.9	178.7	179.6	0	112.4	E1043 L1044 Y1045 H1051	E1043-K1047 PolarHBondContact O-N 2.68Å; L1044-K1047 PolarHBondContact O-N 2.9Å; Y1045-K1047 PolarHBondContact O-N 3.08Å; K1047-H1051 PolarHBondContact O-N 3.4Å
1048	E	91.8	Very high	91.9	Very high	30 Å²	30	91.3 Å²	91.3	14%	0.14	43%	0.43	C	S	.	.	H	α-helix	trans	-72.2	-32.9	-177.1	-61.8	-59.3	157	0	0	112.2	I1021 L1044 Y1045 H1051 L1052 Q1100 L1103 V1104	I1021-E1048 HydrophobicContact CG2-CG 4.23Å; L1044-E1048 WeakPolarHBondContact O-CG 3.47Å; L1044-E1048 PolarHBondContact O-N 3.35Å; L1044-E1048 VanDerWaalsContact O-N 3.1Å; Y1045-E1048 PolarHBondContact O-N 2.84Å; E1048-H1051 PolarHBondContact O-N 3.31Å; E1048-L1052 PolarHBondContact O-N 3.44Å; E1048-Q1100 PolarHBondContact O-NE2 3.3Å; E1048-Q1100 PolarHBondContact OE2-NE2 2.79Å; E1048-L1103 HydrophobicContact CB-CD2 4.15Å; E1048-L1103 HydrophobicContact CG-CD2 3.83Å; E1048-V1104 HydrophobicContact CB-CG2 4.17Å
1049	I	92.8	Very high	92.2	Very high	59 Å²	59	88 Å²	88	30%	0.303	42%	0.416	S	S	.	.	H	α-helix	trans	-70.7	-37.1	175.4	-158.5	72.3	0	0	0	111.9	Y1045 Q1046 H1051 L1052 N1053 V1104	Y1045-I1049 HydrophobicContact CE1-CB 4.35Å; Y1045-I1049 HydrophobicContact CE1-CG2 4.42Å; Y1045-I1049 WeakPolarHBondContact O-CB 3.36Å; Y1045-I1049 WeakPolarHBondContact O-CG2 3.41Å; Y1045-I1049 PolarHBondContact O-N 2.7Å; Q1046-I1049 WeakPolarHBondContact O-CG2 3.27Å; I1049-H1051 VanDerWaalsContact C-N 3.29Å; I1049-H1051 PolarHBondContact O-N 2.98Å; I1049-L1052 HydrophobicContact CD1-CD2 3.99Å; I1049-L1052 WeakPolarHBondContact O-CB 3.3Å; I1049-L1052 PolarHBondContact O-N 2.87Å; I1049-N1053 PolarHBondContact O-N 3.36Å; I1049-V1104 HydrophobicContact CD1-CG1 3.87Å
1050	F	93	Very high	92.4	Very high	151 Å²	151	81.3 Å²	81.3	66%	0.662	40%	0.395	S	S	*	.	H	α-helix	trans	-63.4	-39.4	173.2	-176.7	-94.1	0	0	0	111.1	Q1046 N1053 A1054	Q1046-F1050 WeakPolarHBondContact O-CB 3.45Å; Q1046-F1050 PolarHBondContact O-N 3Å; F1050-N1053 PolarHBondContact O-N 3.48Å; F1050-A1054 PolarHBondContact O-N 2.82Å; F1050-A1054 VanDerWaalsContact O-N 3.12Å
1051	H	89.8	Confident	92.6	Very high	93 Å²	93	83.4 Å²	83.4	43%	0.431	40%	0.399	S	S	.	.	H	α-helix	trans	-64.7	-40.3	174.4	-170.7	42.2	0	0	0	112.3	K1047 E1048 I1049 A1054 L1055	K1047-H1051 PolarHBondContact O-N 3.4Å; E1048-H1051 PolarHBondContact O-N 3.31Å; I1049-H1051 VanDerWaalsContact C-N 3.29Å; I1049-H1051 PolarHBondContact O-N 2.98Å; H1051-A1054 PolarHBondContact O-N 3.03Å; H1051-L1055 WeakPolarHBondContact O-CG 3.34Å; H1051-L1055 PolarHBondContact O-N 2.88Å; H1051-L1055 VanDerWaalsContact O-N 3.15Å
1052	L	93.1	Very high	92.8	Very high	16 Å²	16	81.5 Å²	81.5	8%	0.084	39%	0.391	C	S	.	.	H	α-helix	trans	-59.9	-48.7	174.3	-175.7	69.8	0	0	0	111.3	E1048 I1049 A1054 L1055 E1056 L1097 Q1100 V1104	E1048-L1052 PolarHBondContact O-N 3.44Å; I1049-L1052 HydrophobicContact CD1-CD2 3.99Å; I1049-L1052 WeakPolarHBondContact O-CB 3.3Å; I1049-L1052 PolarHBondContact O-N 2.87Å; L1052-A1054 VanDerWaalsContact C-N 3.32Å; L1052-A1054 PolarHBondContact O-N 3.35Å; L1052-L1055 WeakPolarHBondContact O-CA 3.38Å; L1052-L1055 WeakPolarHBondContact O-CB 3.48Å; L1052-L1055 PolarHBondContact O-N 3.39Å; L1052-E1056 PolarHBondContact O-N 3.43Å; L1052-L1097 HydrophobicContact CD1-CD1 3.64Å; L1052-Q1100 HydrophobicContact CB-CG 4.1Å; L1052-Q1100 HydrophobicContact CD1-CB 4.14Å; L1052-Q1100 HydrophobicContact CD1-CG 3.93Å; L1052-V1104 HydrophobicContact CB-CG2 4.46Å; L1052-V1104 HydrophobicContact CD2-CG2 4.34Å
1053	N	94.3	Very high	92.8	Very high	93 Å²	93	80.7 Å²	80.7	50%	0.497	38%	0.376	S	S	.	.	H	α-helix	trans	-57	-44.1	178.6	-173	17.8	0	0	0	112.1	I1049 F1050 L1055 E1056 E1057	I1049-N1053 PolarHBondContact O-N 3.36Å; F1050-N1053 PolarHBondContact O-N 3.48Å; N1053-L1055 VanDerWaalsContact C-N 3.29Å; N1053-L1055 PolarHBondContact O-N 3.22Å; N1053-E1056 PolarHBondContact O-N 3.38Å; N1053-E1057 PolarHBondContact O-N 3.3Å
1054	A	92.7	Very high	92.8	Very high	47 Å²	47	77.3 Å²	77.3	39%	0.388	36%	0.363	S	S	.	.	H	α-helix	trans	-63	-33.9	175.9	0	0	0	0	0	113	F1050 H1051 L1052 R1058	F1050-A1054 PolarHBondContact O-N 2.82Å; F1050-A1054 VanDerWaalsContact O-N 3.12Å; H1051-A1054 PolarHBondContact O-N 3.03Å; L1052-A1054 VanDerWaalsContact C-N 3.32Å; L1052-A1054 PolarHBondContact O-N 3.35Å; A1054-R1058 WeakPolarHBondContact O-CB 3.2Å; A1054-R1058 PolarHBondContact O-N 2.84Å
1055	L	91.5	Very high	92.8	Very high	12 Å²	12	79.3 Å²	79.3	6%	0.063	37%	0.372	C	S	.	.	H	α-helix	trans	-72.5	-38.3	174.7	-71.5	171	0	0	0	111.9	H1051 L1052 N1053 R1058 F1059 D1096 L1097 Q1100	H1051-L1055 WeakPolarHBondContact O-CG 3.34Å; H1051-L1055 PolarHBondContact O-N 2.88Å; H1051-L1055 VanDerWaalsContact O-N 3.15Å; L1052-L1055 WeakPolarHBondContact O-CA 3.38Å; L1052-L1055 WeakPolarHBondContact O-CB 3.48Å; L1052-L1055 PolarHBondContact O-N 3.39Å; N1053-L1055 VanDerWaalsContact C-N 3.29Å; N1053-L1055 PolarHBondContact O-N 3.22Å; L1055-R1058 PolarHBondContact O-N 2.61Å; L1055-F1059 VanDerWaalsContact O-CB 3.3Å; L1055-F1059 WeakPolarHBondContact O-CB 3.39Å; L1055-F1059 PolarHBondContact O-N 3.04Å; L1055-D1096 HydrophobicContact CD1-CB 4.45Å; L1055-D1096 HydrophobicContact CD2-CB 4.17Å; L1055-L1097 HydrophobicContact CB-CD1 3.89Å; L1055-Q1100 HydrophobicContact CD1-CB 3.78Å; L1055-Q1100 HydrophobicContact CD1-CG 4.05Å
1056	E	94.6	Very high	92.7	Very high	93 Å²	93	75.5 Å²	75.5	44%	0.435	36%	0.359	S	S	.	.	H	α-helix	trans	-64	-44.5	176.3	-72.6	-178.3	174.9	0	0	112.2	L1052 N1053 R1058 F1059 S1060 L1097	L1052-E1056 PolarHBondContact O-N 3.43Å; N1053-E1056 PolarHBondContact O-N 3.38Å; E1056-R1058 VanDerWaalsContact C-N 3.35Å; E1056-R1058 PolarHBondContact O-N 2.89Å; E1056-F1059 PolarHBondContact O-N 3.06Å; E1056-S1060 WeakPolarHBondContact O-CB 3.38Å; E1056-S1060 PolarHBondContact O-N 3.32Å; E1056-S1060 PolarHBondContact O-OG 2.75Å; E1056-L1097 HydrophobicContact CG-CD1 3.68Å
1057	E	95.3	Very high	92.4	Very high	111 Å²	111	72.5 Å²	72.5	52%	0.519	35%	0.345	S	S	.	.	H	α-helix	trans	-58.7	-49.2	174.1	-170.4	-157.6	141.7	0	0	110.3	N1053 F1059 S1060 R1061	N1053-E1057 PolarHBondContact O-N 3.3Å; E1057-F1059 VanDerWaalsContact C-N 3.35Å; E1057-F1059 PolarHBondContact O-N 2.92Å; E1057-S1060 PolarHBondContact O-N 3.26Å; E1057-R1061 WeakPolarHBondContact O-CG 3.3Å; E1057-R1061 PolarHBondContact O-N 3.32Å; E1057-R1061 IonicContact OE1-NH1 3.18Å
1058	R	92.2	Very high	92.2	Very high	99 Å²	99	71.5 Å²	71.5	37%	0.374	34%	0.337	S	S	.	.	H	α-helix	trans	-63.7	-40.3	-179.7	-170.7	177.2	177	-173.9	-1	112	A1054 L1055 E1056 L1062 M1089 V1093	A1054-R1058 WeakPolarHBondContact O-CB 3.2Å; A1054-R1058 PolarHBondContact O-N 2.84Å; L1055-R1058 PolarHBondContact O-N 2.61Å; E1056-R1058 VanDerWaalsContact C-N 3.35Å; E1056-R1058 PolarHBondContact O-N 2.89Å; R1058-L1062 HydrophobicContact CG-CD1 4.07Å; R1058-L1062 VanDerWaalsContact O-CG 3.23Å; R1058-L1062 WeakPolarHBondContact O-CG 3.37Å; R1058-L1062 PolarHBondContact O-N 3.03Å; R1058-L1062 VanDerWaalsContact O-N 3.16Å; R1058-M1089 PolarHBondContact NH2-SD 3.2Å; R1058-V1093 HydrophobicContact CB-CG1 4.38Å; R1058-V1093 HydrophobicContact CG-CG1 4.34Å; R1058-V1093 HydrophobicContact CG-CG2 4.08Å
1059	F	94.1	Very high	91.8	Very high	57 Å²	57	72.1 Å²	72.1	25%	0.25	34%	0.344	C	S	.	.	H	α-helix	trans	-59.1	-51.9	175.6	179.1	-88.3	0	0	0	110.4	L1055 E1056 E1057 R1061 L1062 W1063 V1093 Q1094 L1097	L1055-F1059 VanDerWaalsContact O-CB 3.3Å; L1055-F1059 WeakPolarHBondContact O-CB 3.39Å; L1055-F1059 PolarHBondContact O-N 3.04Å; E1056-F1059 PolarHBondContact O-N 3.06Å; E1057-F1059 VanDerWaalsContact C-N 3.35Å; E1057-F1059 PolarHBondContact O-N 2.92Å; F1059-R1061 PolarHBondContact O-N 3.12Å; F1059-L1062 PolarHBondContact O-N 2.99Å; F1059-W1063 AromaticContact CD1-CD1 3.96Å; F1059-W1063 AromaticContact CD2-CD1 3.64Å; F1059-W1063 AromaticContact CD2-NE1 3.62Å; F1059-W1063 AromaticContact CE1-CD1 3.74Å; F1059-W1063 HydrophobicContact CE1-CG 4.29Å; F1059-W1063 AromaticContact CE2-CD1 3.43Å; F1059-W1063 VanDerWaalsContact CE2-CD1 3.43Å; F1059-W1063 HydrophobicContact CE2-CG 4.46Å; F1059-W1063 AromaticContact CE2-NE1 3.11Å; F1059-W1063 AromaticContact CG-CD1 3.9Å; F1059-W1063 AromaticContact CZ-CD1 3.47Å; F1059-W1063 VanDerWaalsContact CZ-CD1 3.47Å; F1059-W1063 HydrophobicContact CZ-CG 4.15Å; F1059-W1063 AromaticContact CZ-NE1 3.44Å; F1059-W1063 PolarHBondContact O-N 3.42Å; F1059-V1093 HydrophobicContact CB-CG1 3.9Å; F1059-V1093 HydrophobicContact CD2-CG1 4.46Å; F1059-Q1094 HydrophobicContact CD2-CB 4.43Å; F1059-Q1094 HydrophobicContact CE2-CB 4.03Å; F1059-Q1094 HydrophobicContact CE2-CG 4.17Å; F1059-L1097 HydrophobicContact CB-CD2 4.01Å; F1059-L1097 HydrophobicContact CD1-CD2 4.46Å; F1059-L1097 HydrophobicContact CD2-CD2 3.94Å; F1059-L1097 HydrophobicContact CG-CD2 3.89Å
1060	S	94.7	Very high	91.3	Very high	64 Å²	64	70.8 Å²	70.8	45%	0.448	34%	0.337	S	S	.	.	H	α-helix	trans	-60.1	-45	-177.5	-57	0	0	0	0	111.8	E1056 E1057 L1062 T1064	E1056-S1060 WeakPolarHBondContact O-CB 3.38Å; E1056-S1060 PolarHBondContact O-N 3.32Å; E1056-S1060 PolarHBondContact O-OG 2.75Å; E1057-S1060 PolarHBondContact O-N 3.26Å; S1060-L1062 PolarHBondContact O-N 3.35Å; S1060-T1064 VanDerWaalsContact O-CB 3.26Å; S1060-T1064 WeakPolarHBondContact O-CB 3.48Å; S1060-T1064 PolarHBondContact O-N 3.23Å; S1060-T1064 PolarHBondContact O-OG1 3.35Å
1061	R	95.1	Very high	90.7	Very high	172 Å²	172	64.9 Å²	64.9	65%	0.649	32%	0.319	S	S	*	.	H	α-helix	trans	-60	-46.2	177.3	-72	179.1	66.9	-179.5	2.1	112.5	E1057 F1059 Q1065	E1057-R1061 WeakPolarHBondContact O-CG 3.3Å; E1057-R1061 PolarHBondContact O-N 3.32Å; E1057-R1061 IonicContact OE1-NH1 3.18Å; F1059-R1061 PolarHBondContact O-N 3.12Å; R1061-Q1065 WeakPolarHBondContact O-CB 3.43Å; R1061-Q1065 PolarHBondContact O-N 2.91Å
1062	L	91.7	Very high	90.2	Very high	20 Å²	20	61.7 Å²	61.7	11%	0.105	31%	0.307	C	S	.	.	H	α-helix	trans	-69.5	-42.6	-176.3	-68.3	174.4	0	0	0	112.9	R1058 F1059 S1060 C1066 I1086 M1089 R1090 V1093	R1058-L1062 HydrophobicContact CG-CD1 4.07Å; R1058-L1062 VanDerWaalsContact O-CG 3.23Å; R1058-L1062 WeakPolarHBondContact O-CG 3.37Å; R1058-L1062 PolarHBondContact O-N 3.03Å; R1058-L1062 VanDerWaalsContact O-N 3.16Å; F1059-L1062 PolarHBondContact O-N 2.99Å; S1060-L1062 PolarHBondContact O-N 3.35Å; L1062-C1066 PolarHBondContact O-N 3.15Å; L1062-C1066 PolarHBondContact O-SG 3.24Å; L1062-I1086 HydrophobicContact CD2-CG1 4.47Å; L1062-I1086 HydrophobicContact CD2-CG2 4.27Å; L1062-M1089 HydrophobicContact CD1-CB 4.44Å; L1062-M1089 HydrophobicContact CD1-CE 4.45Å; L1062-M1089 HydrophobicContact CD1-CG 3.72Å; L1062-M1089 HydrophobicContact CD1-SD 4.17Å; L1062-M1089 HydrophobicContact CD2-CE 3.45Å; L1062-M1089 VanDerWaalsContact CD2-CE 3.45Å; L1062-M1089 HydrophobicContact CD2-CG 4.48Å; L1062-M1089 HydrophobicContact CD2-SD 4.08Å; L1062-R1090 HydrophobicContact CB-CB 4.28Å; L1062-V1093 HydrophobicContact CD1-CB 4.27Å; L1062-V1093 HydrophobicContact CD1-CG2 3.85Å
1063	W	91.9	Very high	90	Very high	65 Å²	65	66.1 Å²	66.1	25%	0.246	33%	0.33	C	S	.	.	H	α-helix	trans	-72.2	-39.6	179.8	-79.5	94.5	0	0	0	112.1	F1059 Q1065 C1066 Q1067	F1059-W1063 AromaticContact CD1-CD1 3.96Å; F1059-W1063 AromaticContact CD2-CD1 3.64Å; F1059-W1063 AromaticContact CD2-NE1 3.62Å; F1059-W1063 AromaticContact CE1-CD1 3.74Å; F1059-W1063 HydrophobicContact CE1-CG 4.29Å; F1059-W1063 AromaticContact CE2-CD1 3.43Å; F1059-W1063 VanDerWaalsContact CE2-CD1 3.43Å; F1059-W1063 HydrophobicContact CE2-CG 4.46Å; F1059-W1063 AromaticContact CE2-NE1 3.11Å; F1059-W1063 AromaticContact CG-CD1 3.9Å; F1059-W1063 AromaticContact CZ-CD1 3.47Å; F1059-W1063 VanDerWaalsContact CZ-CD1 3.47Å; F1059-W1063 HydrophobicContact CZ-CG 4.15Å; F1059-W1063 AromaticContact CZ-NE1 3.44Å; F1059-W1063 PolarHBondContact O-N 3.42Å; W1063-Q1065 VanDerWaalsContact C-N 3.32Å; W1063-Q1065 PolarHBondContact O-N 3.12Å; W1063-C1066 WeakPolarHBondContact O-CB 3.38Å; W1063-C1066 PolarHBondContact O-N 2.93Å; W1063-C1066 VanDerWaalsContact O-N 3.1Å; W1063-Q1067 PolarHBondContact O-N 2.98Å
1064	T	92.1	Very high	89.6	Confident	50 Å²	50	70.4 Å²	70.4	31%	0.307	35%	0.347	S	S	.	.	H	α-helix	trans	-63.6	-39.1	174.1	-52.2	0	0	0	0	111.3	S1060 C1066 Q1067 R1068	S1060-T1064 VanDerWaalsContact O-CB 3.26Å; S1060-T1064 WeakPolarHBondContact O-CB 3.48Å; S1060-T1064 PolarHBondContact O-N 3.23Å; S1060-T1064 PolarHBondContact O-OG1 3.35Å; T1064-C1066 PolarHBondContact O-N 3.42Å; T1064-Q1067 WeakPolarHBondContact O-CB 3.26Å; T1064-Q1067 PolarHBondContact O-N 3.45Å; T1064-Q1067 VanDerWaalsContact O-N 3.16Å; T1064-R1068 PolarHBondContact O-N 3.38Å; T1064-R1068 VanDerWaalsContact O-N 3.08Å
1065	Q	90.7	Very high	89	Confident	70 Å²	70	72.4 Å²	72.4	33%	0.327	35%	0.348	S	S	.	.	H	α-helix	trans	-62	-33.8	174.5	-174.8	57.7	32.1	0	0	112.3	R1061 W1063 R1068 C1069 I1086	R1061-Q1065 WeakPolarHBondContact O-CB 3.43Å; R1061-Q1065 PolarHBondContact O-N 2.91Å; W1063-Q1065 VanDerWaalsContact C-N 3.32Å; W1063-Q1065 PolarHBondContact O-N 3.12Å; Q1065-R1068 PolarHBondContact O-N 3.01Å; Q1065-C1069 WeakPolarHBondContact O-CB 3.31Å; Q1065-C1069 PolarHBondContact O-N 3.06Å; Q1065-I1086 HydrophobicContact CB-CD1 4.3Å; Q1065-I1086 HydrophobicContact CG-CD1 3.61Å
1066	C	89.8	Confident	88.7	Confident	15 Å²	15	78 Å²	78	10%	0.101	38%	0.378	C	S	.	.	H	α-helix	trans	-66	-38.9	175.2	-64.9	0	0	0	0	112.1	L1062 W1063 T1064 C1069 Q1070 V1077	L1062-C1066 PolarHBondContact O-N 3.15Å; L1062-C1066 PolarHBondContact O-SG 3.24Å; W1063-C1066 WeakPolarHBondContact O-CB 3.38Å; W1063-C1066 PolarHBondContact O-N 2.93Å; W1063-C1066 VanDerWaalsContact O-N 3.1Å; T1064-C1066 PolarHBondContact O-N 3.42Å; C1066-C1069 PolarHBondContact O-N 3.3Å; C1066-Q1070 WeakPolarHBondContact O-CB 3.41Å; C1066-Q1070 PolarHBondContact O-N 2.85Å; C1066-V1077 HydrophobicContact CB-CG1 3.85Å; C1066-V1077 HydrophobicContact CB-CG2 4.07Å
1067	Q	88.3	Confident	88.4	Confident	60 Å²	60	74.8 Å²	74.8	28%	0.28	37%	0.365	S	S	.	.	H	α-helix	trans	-63.9	-43.4	175.6	-66	177.1	-55.3	0	0	111.4	W1063 T1064 C1069 Q1070 G1071 L1073 V1077	W1063-Q1067 PolarHBondContact O-N 2.98Å; T1064-Q1067 WeakPolarHBondContact O-CB 3.26Å; T1064-Q1067 PolarHBondContact O-N 3.45Å; T1064-Q1067 VanDerWaalsContact O-N 3.16Å; Q1067-C1069 PolarHBondContact O-N 3.39Å; Q1067-Q1070 PolarHBondContact O-N 3.34Å; Q1067-G1071 PolarHBondContact O-N 2.94Å; Q1067-L1073 HydrophobicContact CB-CD2 4.1Å; Q1067-V1077 HydrophobicContact CG-CG2 4Å
1068	R	86.9	Confident	87.8	Confident	124 Å²	124	72 Å²	72	47%	0.468	35%	0.353	S	S	.	.	H	α-helix	trans	-62.4	-41	175.3	-65.4	174.7	-169.7	165.8	-4.8	112.8	D29 T1064 Q1065 Q1070 G1071	D29-R1068 IonicContact OD1-NH1 3.42Å; D29-R1068 PolarHBondContact OD1-NH1 2.82Å; T1064-R1068 PolarHBondContact O-N 3.38Å; T1064-R1068 VanDerWaalsContact O-N 3.08Å; Q1065-R1068 PolarHBondContact O-N 3.01Å; R1068-Q1070 VanDerWaalsContact C-N 3.33Å; R1068-G1071 PolarHBondContact O-N 3.19Å
1069	C	83.7	Confident	87.5	Confident	44 Å²	44	68.3 Å²	68.3	30%	0.297	34%	0.342	S	S	.	.	H	α-helix	trans	-66.5	-36.6	176.8	-174.6	0	0	0	0	112	Q1065 C1066 Q1067 G1071	Q1065-C1069 WeakPolarHBondContact O-CB 3.31Å; Q1065-C1069 PolarHBondContact O-N 3.06Å; C1066-C1069 PolarHBondContact O-N 3.3Å; Q1067-C1069 PolarHBondContact O-N 3.39Å; C1069-G1071 VanDerWaalsContact C-N 3.34Å
1070	Q	82.7	Confident	86.8	Confident	30 Å²	30	67.3 Å²	67.3	14%	0.14	34%	0.341	C	S	.	.	H	α-helix	trans	-70.2	-30.3	174.9	179.7	-170.7	-9	0	0	112.6	C1066 Q1067 R1068 D1076 V1077	C1066-Q1070 WeakPolarHBondContact O-CB 3.41Å; C1066-Q1070 PolarHBondContact O-N 2.85Å; Q1067-Q1070 PolarHBondContact O-N 3.34Å; R1068-Q1070 VanDerWaalsContact C-N 3.33Å; Q1070-D1076 PolarHBondContact NE2-O 3.43Å; Q1070-V1077 VanDerWaalsContact OE1-CA 3.31Å
1071	G	80.1	Confident	86.2	Confident	28 Å²	28	64.3 Å²	64.3	29%	0.289	32%	0.32	S	S	.	.	S	Bend	trans	92	-15.4	-175.5	0	0	0	0	0	114.3	E35 Q1067 R1068 C1069	E35-G1071 WeakPolarHBondContact OE1-CA 3.39Å; Q1067-G1071 PolarHBondContact O-N 2.94Å; R1068-G1071 PolarHBondContact O-N 3.19Å; C1069-G1071 VanDerWaalsContact C-N 3.34Å
1072	S	79.9	Confident	85.3	Confident	26 Å²	26	60.4 Å²	60.4	18%	0.182	31%	0.305	C	S	.	.			trans	-110.2	135.4	179.4	-175.9	0	0	0	0	113.1	H1074 E1075	S1072-H1074 PolarHBondContact OG-N 3.44Å; S1072-E1075 WeakPolarHBondContact OG-CG 3.16Å; S1072-E1075 PolarHBondContact OG-N 2.99Å
1073	L	87.3	Confident	84.5	Confident	108 Å²	108	62.5 Å²	62.5	57%	0.565	32%	0.317	S	S	*	.	S	Bend	trans	-94.9	-12.1	172.6	-59.7	-178	0	0	0	113.3	Q1067	Q1067-L1073 HydrophobicContact CB-CD2 4.1Å
1074	H	86.2	Confident	83.9	Confident	184 Å²	184	60 Å²	60	85%	0.852	31%	0.309	S	S	*	.	S	Bend	trans	-114.6	-5.7	-170	-59.6	-63.5	0	0	0	113.6	S1072	S1072-H1074 PolarHBondContact OG-N 3.44Å
1075	E	81.4	Confident	83.1	Confident	88 Å²	88	60.8 Å²	60.8	41%	0.411	32%	0.315	S	S	.	.	S	Bend	trans	-113.8	158.2	179.5	-62.8	-174.1	171.9	0	0	112.1	R514 S1072	R514-E1075 VanDerWaalsContact CD-OE2 3.3Å; R514-E1075 WeakPolarHBondContact CD-OE2 3.29Å; R514-E1075 IonicContact CZ-OE2 3.98Å; R514-E1075 IonicContact NE-OE2 3.4Å; R514-E1075 IonicContact NH1-OE2 3.35Å; R514-E1075 PolarHBondContact NH1-OE2 2.97Å; S1072-E1075 WeakPolarHBondContact OG-CG 3.16Å; S1072-E1075 PolarHBondContact OG-N 2.99Å
1076	D	85.1	Confident	82.9	Confident	129 Å²	129	59 Å²	59	69%	0.69	31%	0.307	S	S	*	.			trans	-66.8	140.5	176.7	-68	-35	0	0	0	112.1	R514 Q1070 L1078	R514-D1076 PolarHBondContact NH1-O 3.1Å; R514-D1076 PolarHBondContact NH2-O 3.13Å; R514-D1076 VanDerWaalsContact NH2-O 3.08Å; Q1070-D1076 PolarHBondContact NE2-O 3.43Å; D1076-L1078 HydrophobicContact CB-CD2 4.16Å; D1076-L1078 HydrophobicContact CB-CG 4.41Å; D1076-L1078 PolarHBondContact O-N 3.11Å
1077	V	86.4	Confident	82.6	Confident	27 Å²	27	59.1 Å²	59.1	16%	0.164	31%	0.306	C	S	.	.			trans	-82.2	110.1	172.3	-178.9	0	0	0	0	109.2	C1066 Q1067 Q1070 C1079 R1090	C1066-V1077 HydrophobicContact CB-CG1 3.85Å; C1066-V1077 HydrophobicContact CB-CG2 4.07Å; Q1067-V1077 HydrophobicContact CG-CG2 4Å; Q1070-V1077 VanDerWaalsContact OE1-CA 3.31Å; V1077-C1079 HydrophobicContact CG1-CB 4.29Å; V1077-R1090 VanDerWaalsContact CG1-NH1 3.31Å
1078	L	84.2	Confident	82.3	Confident	51 Å²	51	56.7 Å²	56.7	27%	0.267	29%	0.294	S	S	.	.			trans	-107.7	7.7	-175.8	-58.6	177.4	0	0	0	113.4	E494 I500 D1076 T1080	E494-L1078 PolarHBondContact OE1-N 3.36Å; E494-L1078 VanDerWaalsContact OE1-N 3.09Å; I500-L1078 HydrophobicContact CD1-CB 4.27Å; I500-L1078 HydrophobicContact CG2-CD1 3.89Å; D1076-L1078 HydrophobicContact CB-CD2 4.16Å; D1076-L1078 HydrophobicContact CB-CG 4.41Å; D1076-L1078 PolarHBondContact O-N 3.11Å; L1078-T1080 PolarHBondContact O-N 3.05Å
1079	C	84.6	Confident	82.2	Confident	22 Å²	22	52.7 Å²	52.7	15%	0.149	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-58.9	128.3	-177.8	-176	0	0	0	0	114.2	E494 D495 V1077 S1081 R1090	E494-C1079 HydrophobicContact CG-CB 4.01Å; E494-C1079 PolarHBondContact OE1-N 3.33Å; D495-C1079 CarbonylContact O-C 3.43Å; D495-C1079 WeakPolarHBondContact O-CA 3.46Å; V1077-C1079 HydrophobicContact CG1-CB 4.29Å; C1079-S1081 VanDerWaalsContact SG-CB 3.56Å; C1079-R1090 PolarHBondContact O-NH2 3.18Å
1080	T	81.1	Confident	82.4	Confident	36 Å²	36	51.2 Å²	51.2	22%	0.221	27%	0.27	C	S	.	.			trans	-114	19.6	173.8	54.9	0	0	0	0	114.5	D495 Q497 L1078 R1082	D495-T1080 PolarHBondContact O-N 2.87Å; D495-T1080 PolarHBondContact O-OG1 3.36Å; Q497-T1080 HydrophobicContact CB-CG2 4.03Å; L1078-T1080 PolarHBondContact O-N 3.05Å; T1080-R1082 PolarHBondContact O-N 3.06Å
1081	S	80.9	Confident	82.4	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.007	28%	0.282	C	S	.	.			trans	-59.1	108.7	-174	-179.9	0	0	0	0	112.9	N482 D495 C1079 D1083 C1084 F1087	N482-S1081 PolarHBondContact ND2-OG 2.9Å; D495-S1081 WeakPolarHBondContact OD2-CA 3.42Å; C1079-S1081 VanDerWaalsContact SG-CB 3.56Å; S1081-D1083 VanDerWaalsContact C-N 3.25Å; S1081-D1083 PolarHBondContact O-N 3.2Å; S1081-C1084 PolarHBondContact O-N 3.1Å; S1081-F1087 WeakPolarHBondContact O-CB 3.42Å; S1081-F1087 VanDerWaalsContact O-CG 3.3Å; S1081-F1087 WeakPolarHBondContact O-CG 3.37Å
1082	R	75.5	Confident	82.5	Confident	90 Å²	90	54.8 Å²	54.8	34%	0.34	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-18.6	179.3	-63.5	179.5	-177.6	173.6	0.4	113.3	I951 T1080 Y1088	I951-R1082 HydrophobicContact CD1-CG 4.46Å; T1080-R1082 PolarHBondContact O-N 3.06Å; R1082-Y1088 WeakPolarHBondContact CB-OH 3.43Å; R1082-Y1088 VanDerWaalsContact O-CE2 3.3Å; R1082-Y1088 WeakPolarHBondContact O-CE2 3.15Å; R1082-Y1088 PolarHBondContact O-OH 2.94Å
1083	D	74.9	Confident	82.9	Confident	65 Å²	65	53.5 Å²	53.5	35%	0.348	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-11.2	178.4	-63.3	-69.4	0	0	0	112.5	S478 T480 A483 S1081	S478-D1083 WeakPolarHBondContact CB-OD1 3.05Å; S478-D1083 PolarHBondContact OG-OD1 3.46Å; S478-D1083 PolarHBondContact OG-OD2 3.26Å; T480-D1083 WeakPolarHBondContact CB-OD2 3.41Å; T480-D1083 WeakPolarHBondContact CG2-OD2 3.45Å; T480-D1083 PolarHBondContact OG1-OD2 3.44Å; A483-D1083 HydrophobicContact CB-CB 4.01Å; S1081-D1083 VanDerWaalsContact C-N 3.25Å; S1081-D1083 PolarHBondContact O-N 3.2Å
1084	C	79.9	Confident	83	Confident	13 Å²	13	51.3 Å²	51.3	9%	0.088	26%	0.255	C	S	.	.			trans	-82.3	125.9	178.3	-176.8	0	0	0	0	111.1	Q492 S1081 I1086 F1087	Q492-C1084 PolarHBondContact OE1-SG 3.45Å; S1081-C1084 PolarHBondContact O-N 3.1Å; C1084-I1086 PolarHBondContact O-N 3.5Å; C1084-I1086 PolarHBondContact SG-N 3.44Å; C1084-F1087 HydrophobicContact CB-CB 4.18Å; C1084-F1087 WeakPolarHBondContact O-CB 3.37Å; C1084-F1087 PolarHBondContact O-N 3.37Å
1085	P	76.3	Confident	82.8	Confident	66 Å²	66	45.3 Å²	45.3	43%	0.429	23%	0.226	S	C	.	.	H	α-helix	trans	-64.8	-27.7	176.9	26.1	-33.8	0	0	0	112.7	F1087 M1089	P1085-F1087 VanDerWaalsContact C-N 3.3Å; P1085-F1087 PolarHBondContact O-N 3.06Å; P1085-M1089 WeakPolarHBondContact O-CB 3.45Å
1086	I	85.4	Confident	83	Confident	31 Å²	31	43.6 Å²	43.6	16%	0.159	22%	0.22	C	C	.	.	H	α-helix	trans	-69	-30.7	178.5	-62.6	177.6	0	0	0	111.2	L1062 Q1065 C1084 Y1088 M1089 R1090	L1062-I1086 HydrophobicContact CD2-CG1 4.47Å; L1062-I1086 HydrophobicContact CD2-CG2 4.27Å; Q1065-I1086 HydrophobicContact CB-CD1 4.3Å; Q1065-I1086 HydrophobicContact CG-CD1 3.61Å; C1084-I1086 PolarHBondContact O-N 3.5Å; C1084-I1086 PolarHBondContact SG-N 3.44Å; I1086-Y1088 PolarHBondContact O-N 2.78Å; I1086-M1089 HydrophobicContact CG1-CE 4.22Å; I1086-M1089 PolarHBondContact O-N 3.26Å; I1086-R1090 HydrophobicContact CG2-CB 4.45Å; I1086-R1090 WeakPolarHBondContact O-CB 3.48Å; I1086-R1090 WeakPolarHBondContact O-CG 3.31Å; I1086-R1090 PolarHBondContact O-N 2.95Å
1087	F	84.4	Confident	83.2	Confident	18 Å²	18	38.7 Å²	38.7	8%	0.079	19%	0.193	C	C	.	.	H	α-helix	trans	-58.4	-50.1	-173.1	175.5	-105.2	0	0	0	113.1	I951 S1081 C1084 P1085 R1090	I951-F1087 HydrophobicContact CD1-CE1 3.67Å; I951-F1087 HydrophobicContact CD1-CZ 3.99Å; I951-F1087 HydrophobicContact CG1-CE1 3.93Å; S1081-F1087 WeakPolarHBondContact O-CB 3.42Å; S1081-F1087 VanDerWaalsContact O-CG 3.3Å; S1081-F1087 WeakPolarHBondContact O-CG 3.37Å; C1084-F1087 HydrophobicContact CB-CB 4.18Å; C1084-F1087 WeakPolarHBondContact O-CB 3.37Å; C1084-F1087 PolarHBondContact O-N 3.37Å; P1085-F1087 VanDerWaalsContact C-N 3.3Å; P1085-F1087 PolarHBondContact O-N 3.06Å; F1087-R1090 WeakPolarHBondContact O-CG 3.32Å
1088	Y	81.8	Confident	83.3	Confident	10 Å²	10	41.4 Å²	41.4	4%	0.039	21%	0.207	C	C	.	.	H	α-helix	trans	-73	-38.4	176.8	-58.1	-65.6	0	0	0	111.9	I885 P950 I951 L954 R1082 I1086 K1091 K1092	I885-Y1088 HydrophobicContact CG2-CG 4.35Å; P950-Y1088 HydrophobicContact CB-CD1 4.45Å; P950-Y1088 HydrophobicContact CB-CE1 3.92Å; I951-Y1088 HydrophobicContact CG1-CE1 3.78Å; L954-Y1088 HydrophobicContact CD1-CD1 3.95Å; R1082-Y1088 WeakPolarHBondContact CB-OH 3.43Å; R1082-Y1088 VanDerWaalsContact O-CE2 3.3Å; R1082-Y1088 WeakPolarHBondContact O-CE2 3.15Å; R1082-Y1088 PolarHBondContact O-OH 2.94Å; I1086-Y1088 PolarHBondContact O-N 2.78Å; Y1088-K1091 PolarHBondContact O-N 3.14Å; Y1088-K1092 PolarHBondContact O-N 3.13Å
1089	M	84	Confident	83.4	Confident	40 Å²	40	42.8 Å²	42.8	20%	0.197	22%	0.215	C	C	.	.	H	α-helix	trans	-66.3	-42.3	-174.9	-171.9	175.2	31	0	0	112.2	R1058 L1062 P1085 I1086 K1091 K1092 V1093	R1058-M1089 PolarHBondContact NH2-SD 3.2Å; L1062-M1089 HydrophobicContact CD1-CB 4.44Å; L1062-M1089 HydrophobicContact CD1-CE 4.45Å; L1062-M1089 HydrophobicContact CD1-CG 3.72Å; L1062-M1089 HydrophobicContact CD1-SD 4.17Å; L1062-M1089 HydrophobicContact CD2-CE 3.45Å; L1062-M1089 VanDerWaalsContact CD2-CE 3.45Å; L1062-M1089 HydrophobicContact CD2-CG 4.48Å; L1062-M1089 HydrophobicContact CD2-SD 4.08Å; P1085-M1089 WeakPolarHBondContact O-CB 3.45Å; I1086-M1089 HydrophobicContact CG1-CE 4.22Å; I1086-M1089 PolarHBondContact O-N 3.26Å; M1089-K1091 VanDerWaalsContact C-N 3.32Å; M1089-K1091 PolarHBondContact O-N 2.91Å; M1089-K1092 PolarHBondContact O-N 2.92Å; M1089-V1093 HydrophobicContact CG-CG2 4.45Å; M1089-V1093 WeakPolarHBondContact O-CG2 3.36Å; M1089-V1093 PolarHBondContact O-N 3.13Å
1090	R	87.9	Confident	83.6	Confident	13 Å²	13	42.6 Å²	42.6	5%	0.049	21%	0.211	C	C	.	.	H	α-helix	trans	-63.3	-37.8	178.1	72.3	-175.2	179	163.7	3.9	112.1	L1062 V1077 C1079 I1086 F1087 Q1094	L1062-R1090 HydrophobicContact CB-CB 4.28Å; V1077-R1090 VanDerWaalsContact CG1-NH1 3.31Å; C1079-R1090 PolarHBondContact O-NH2 3.18Å; I1086-R1090 HydrophobicContact CG2-CB 4.45Å; I1086-R1090 WeakPolarHBondContact O-CB 3.48Å; I1086-R1090 WeakPolarHBondContact O-CG 3.31Å; I1086-R1090 PolarHBondContact O-N 2.95Å; F1087-R1090 WeakPolarHBondContact O-CG 3.32Å; R1090-Q1094 WeakPolarHBondContact O-CB 3.49Å; R1090-Q1094 PolarHBondContact O-N 3.27Å
1091	K	83.8	Confident	84.1	Confident	91 Å²	91	43.9 Å²	43.9	40%	0.396	22%	0.222	S	C	.	.	H	α-helix	trans	-70.4	-38.2	176.8	-74.3	-67.4	-175.2	-177.7	0	112	Y1088 M1089 K1095	Y1088-K1091 PolarHBondContact O-N 3.14Å; M1089-K1091 VanDerWaalsContact C-N 3.32Å; M1089-K1091 PolarHBondContact O-N 2.91Å; K1091-K1095 PolarHBondContact O-N 3.34Å
1092	K	82.3	Confident	84.4	Confident	41 Å²	41	50.1 Å²	50.1	18%	0.178	25%	0.249	C	C	.	.	H	α-helix	trans	-63.4	-52.2	173.4	173.5	171.9	170.2	46	0	111.5	Y1088 M1089 Q1094 K1095 D1096	Y1088-K1092 PolarHBondContact O-N 3.13Å; M1089-K1092 PolarHBondContact O-N 2.92Å; K1092-Q1094 VanDerWaalsContact C-N 3.27Å; K1092-Q1094 PolarHBondContact O-N 3.24Å; K1092-K1095 PolarHBondContact O-N 2.84Å; K1092-D1096 WeakPolarHBondContact CE-OD2 3.34Å; K1092-D1096 WeakPolarHBondContact CG-OD2 3.33Å; K1092-D1096 IonicContact NZ-OD1 3.16Å; K1092-D1096 PolarHBondContact NZ-OD1 3.5Å; K1092-D1096 IonicContact NZ-OD2 2.75Å; K1092-D1096 PolarHBondContact NZ-OD2 3.14Å; K1092-D1096 PolarHBondContact O-N 3.33Å
1093	V	87.4	Confident	85	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-37.3	-178.1	174.2	0	0	0	0	111.2	R1058 F1059 L1062 M1089 K1095 D1096 L1097	R1058-V1093 HydrophobicContact CB-CG1 4.38Å; R1058-V1093 HydrophobicContact CG-CG1 4.34Å; R1058-V1093 HydrophobicContact CG-CG2 4.08Å; F1059-V1093 HydrophobicContact CB-CG1 3.9Å; F1059-V1093 HydrophobicContact CD2-CG1 4.46Å; L1062-V1093 HydrophobicContact CD1-CB 4.27Å; L1062-V1093 HydrophobicContact CD1-CG2 3.85Å; M1089-V1093 HydrophobicContact CG-CG2 4.45Å; M1089-V1093 WeakPolarHBondContact O-CG2 3.36Å; M1089-V1093 PolarHBondContact O-N 3.13Å; V1093-K1095 VanDerWaalsContact C-N 3.34Å; V1093-K1095 PolarHBondContact O-N 2.99Å; V1093-D1096 PolarHBondContact O-N 3.29Å; V1093-L1097 WeakPolarHBondContact O-CB 3.47Å; V1093-L1097 PolarHBondContact O-N 3.01Å
1094	Q	88.6	Confident	85.7	Confident	61 Å²	61	45.7 Å²	45.7	29%	0.285	23%	0.232	S	C	.	.	H	α-helix	trans	-55.1	-47.7	171.8	-178.4	173.9	36.2	0	0	112	F1059 R1090 K1092 D1098	F1059-Q1094 HydrophobicContact CD2-CB 4.43Å; F1059-Q1094 HydrophobicContact CE2-CB 4.03Å; F1059-Q1094 HydrophobicContact CE2-CG 4.17Å; R1090-Q1094 WeakPolarHBondContact O-CB 3.49Å; R1090-Q1094 PolarHBondContact O-N 3.27Å; K1092-Q1094 VanDerWaalsContact C-N 3.27Å; K1092-Q1094 PolarHBondContact O-N 3.24Å; Q1094-D1098 PolarHBondContact O-N 2.92Å
1095	K	83.8	Confident	86.2	Confident	58 Å²	58	48.1 Å²	48.1	25%	0.252	25%	0.25	S	C	.	.	H	α-helix	trans	-69.1	-43.3	178.2	-72.4	-172.1	168.5	-167	0	113.2	L954 E955 N957 K1091 K1092 V1093 L1097 D1098 D1099	L954-K1095 PolarHBondContact O-NZ 2.95Å; E955-K1095 PolarHBondContact O-NZ 2.98Å; N957-K1095 PolarHBondContact OD1-NZ 3.47Å; K1091-K1095 PolarHBondContact O-N 3.34Å; K1092-K1095 PolarHBondContact O-N 2.84Å; V1093-K1095 VanDerWaalsContact C-N 3.34Å; V1093-K1095 PolarHBondContact O-N 2.99Å; K1095-L1097 VanDerWaalsContact C-N 3.26Å; K1095-L1097 PolarHBondContact O-N 3.31Å; K1095-D1098 PolarHBondContact O-N 3.44Å; K1095-D1099 PolarHBondContact O-N 3.4Å
1096	D	84.2	Confident	86.8	Confident	53 Å²	53	47.7 Å²	47.7	28%	0.283	24%	0.239	S	C	.	.	H	α-helix	trans	-61.8	-39.1	179.1	-68.7	-16.8	0	0	0	110.2	L1055 K1092 V1093 Q1100	L1055-D1096 HydrophobicContact CD1-CB 4.45Å; L1055-D1096 HydrophobicContact CD2-CB 4.17Å; K1092-D1096 WeakPolarHBondContact CE-OD2 3.34Å; K1092-D1096 WeakPolarHBondContact CG-OD2 3.33Å; K1092-D1096 IonicContact NZ-OD1 3.16Å; K1092-D1096 PolarHBondContact NZ-OD1 3.5Å; K1092-D1096 IonicContact NZ-OD2 2.75Å; K1092-D1096 PolarHBondContact NZ-OD2 3.14Å; K1092-D1096 PolarHBondContact O-N 3.33Å; V1093-D1096 PolarHBondContact O-N 3.29Å; D1096-Q1100 VanDerWaalsContact O-CB 3.31Å; D1096-Q1100 WeakPolarHBondContact O-CB 3.44Å; D1096-Q1100 PolarHBondContact O-N 3.24Å
1097	L	89.8	Confident	86.9	Confident	25 Å²	25	47.7 Å²	47.7	13%	0.131	24%	0.238	C	C	.	.	H	α-helix	trans	-65.3	-46.7	175.1	-177.5	64	0	0	0	111.9	L1052 L1055 E1056 F1059 V1093 K1095 D1099 Q1100 S1101	L1052-L1097 HydrophobicContact CD1-CD1 3.64Å; L1055-L1097 HydrophobicContact CB-CD1 3.89Å; E1056-L1097 HydrophobicContact CG-CD1 3.68Å; F1059-L1097 HydrophobicContact CB-CD2 4.01Å; F1059-L1097 HydrophobicContact CD1-CD2 4.46Å; F1059-L1097 HydrophobicContact CD2-CD2 3.94Å; F1059-L1097 HydrophobicContact CG-CD2 3.89Å; V1093-L1097 WeakPolarHBondContact O-CB 3.47Å; V1093-L1097 PolarHBondContact O-N 3.01Å; K1095-L1097 VanDerWaalsContact C-N 3.26Å; K1095-L1097 PolarHBondContact O-N 3.31Å; L1097-D1099 VanDerWaalsContact C-N 3.31Å; L1097-D1099 PolarHBondContact O-N 3.33Å; L1097-Q1100 PolarHBondContact O-N 3.12Å; L1097-S1101 VanDerWaalsContact O-CB 3.26Å; L1097-S1101 WeakPolarHBondContact O-CB 3.4Å; L1097-S1101 PolarHBondContact O-N 3.16Å
1098	D	89.1	Confident	86.5	Confident	84 Å²	84	49.2 Å²	49.2	45%	0.449	26%	0.26	S	S	.	.	H	α-helix	trans	-59	-41.8	176.8	-75.9	-16.9	0	0	0	112.2	Q1094 K1095 K1102	Q1094-D1098 PolarHBondContact O-N 2.92Å; K1095-D1098 PolarHBondContact O-N 3.44Å; D1098-K1102 WeakPolarHBondContact O-CD 3.47Å; D1098-K1102 VanDerWaalsContact O-CG 3.31Å; D1098-K1102 WeakPolarHBondContact O-CG 3.15Å; D1098-K1102 PolarHBondContact O-N 3.21Å
1099	D	85.6	Confident	84.9	Confident	80 Å²	80	63.9 Å²	63.9	43%	0.428	32%	0.315	S	S	.	.	H	α-helix	trans	-72.1	-40.3	180	-78.1	-16.4	0	0	0	111.5	K1095 L1097 K1102 L1103	K1095-D1099 PolarHBondContact O-N 3.4Å; L1097-D1099 VanDerWaalsContact C-N 3.31Å; L1097-D1099 PolarHBondContact O-N 3.33Å; D1099-K1102 PolarHBondContact O-N 3.34Å; D1099-L1103 PolarHBondContact O-N 3.45Å; D1099-L1103 VanDerWaalsContact O-N 3.13Å
1100	Q	89.3	Confident	85	Confident	18 Å²	18	65.1 Å²	65.1	8%	0.084	32%	0.321	C	S	.	.	H	α-helix	trans	-68.4	-40	176.9	-172.3	63.9	9.4	0	0	111.9	E1048 L1052 L1055 D1096 L1097 K1102 L1103 V1104	E1048-Q1100 PolarHBondContact O-NE2 3.3Å; E1048-Q1100 PolarHBondContact OE2-NE2 2.79Å; L1052-Q1100 HydrophobicContact CB-CG 4.1Å; L1052-Q1100 HydrophobicContact CD1-CB 4.14Å; L1052-Q1100 HydrophobicContact CD1-CG 3.93Å; L1055-Q1100 HydrophobicContact CD1-CB 3.78Å; L1055-Q1100 HydrophobicContact CD1-CG 4.05Å; D1096-Q1100 VanDerWaalsContact O-CB 3.31Å; D1096-Q1100 WeakPolarHBondContact O-CB 3.44Å; D1096-Q1100 PolarHBondContact O-N 3.24Å; L1097-Q1100 PolarHBondContact O-N 3.12Å; Q1100-K1102 VanDerWaalsContact C-N 3.34Å; Q1100-K1102 PolarHBondContact O-N 3.39Å; Q1100-L1103 WeakPolarHBondContact O-CB 3.29Å; Q1100-L1103 PolarHBondContact O-N 2.83Å; Q1100-V1104 WeakPolarHBondContact O-CG2 3.46Å; Q1100-V1104 PolarHBondContact O-N 2.57Å
1101	S	90.8	Very high	84.8	Confident	63 Å²	63	67.8 Å²	67.8	44%	0.441	34%	0.335	S	S	.	.	H	α-helix	trans	-58.9	-45.3	175.7	-178.2	0	0	0	0	111.4	L1097 L1103 V1104 S1105	L1097-S1101 VanDerWaalsContact O-CB 3.26Å; L1097-S1101 WeakPolarHBondContact O-CB 3.4Å; L1097-S1101 PolarHBondContact O-N 3.16Å; S1101-L1103 VanDerWaalsContact C-N 3.27Å; S1101-L1103 PolarHBondContact O-N 2.78Å; S1101-V1104 PolarHBondContact O-N 3.42Å; S1101-S1105 PolarHBondContact O-N 3.11Å
1102	K	88.8	Confident	84.9	Confident	132 Å²	132	66.5 Å²	66.5	57%	0.574	33%	0.332	S	S	*	.	H	α-helix	trans	-64.5	-27.5	174.1	-72.2	168.8	-171	158.9	0	113.7	D1098 D1099 Q1100 S1105	D1098-K1102 WeakPolarHBondContact O-CD 3.47Å; D1098-K1102 VanDerWaalsContact O-CG 3.31Å; D1098-K1102 WeakPolarHBondContact O-CG 3.15Å; D1098-K1102 PolarHBondContact O-N 3.21Å; D1099-K1102 PolarHBondContact O-N 3.34Å; Q1100-K1102 VanDerWaalsContact C-N 3.34Å; Q1100-K1102 PolarHBondContact O-N 3.39Å; K1102-S1105 PolarHBondContact O-OG 2.89Å
1103	L	87.9	Confident	85.1	Confident	46 Å²	46	68 Å²	68	24%	0.241	34%	0.341	C	S	.	.	H	α-helix	trans	-74.5	-45.8	176.2	-175.6	153.1	0	0	0	110.5	I1021 E1048 D1099 Q1100 S1101 S1105 R1106	I1021-L1103 HydrophobicContact CD1-CD2 3.62Å; I1021-L1103 HydrophobicContact CD1-CG 4.11Å; I1021-L1103 HydrophobicContact CG1-CD2 4.34Å; E1048-L1103 HydrophobicContact CB-CD2 4.15Å; E1048-L1103 HydrophobicContact CG-CD2 3.83Å; D1099-L1103 PolarHBondContact O-N 3.45Å; D1099-L1103 VanDerWaalsContact O-N 3.13Å; Q1100-L1103 WeakPolarHBondContact O-CB 3.29Å; Q1100-L1103 PolarHBondContact O-N 2.83Å; S1101-L1103 VanDerWaalsContact C-N 3.27Å; S1101-L1103 PolarHBondContact O-N 2.78Å; L1103-S1105 VanDerWaalsContact C-N 3.32Å; L1103-S1105 PolarHBondContact O-N 3.48Å; L1103-R1106 WeakPolarHBondContact O-CB 3.3Å; L1103-R1106 PolarHBondContact O-N 3.15Å
1104	V	89.6	Confident	84.9	Confident	16 Å²	16	72.3 Å²	72.3	10%	0.097	36%	0.362	C	S	.	.	H	α-helix	trans	-64.5	-36.3	178.2	174.6	0	0	0	0	111.2	Y1045 E1048 I1049 L1052 Q1100 S1101 R1106 F1107	Y1045-V1104 HydrophobicContact CE2-CG1 4.08Å; E1048-V1104 HydrophobicContact CB-CG2 4.17Å; I1049-V1104 HydrophobicContact CD1-CG1 3.87Å; L1052-V1104 HydrophobicContact CB-CG2 4.46Å; L1052-V1104 HydrophobicContact CD2-CG2 4.34Å; Q1100-V1104 WeakPolarHBondContact O-CG2 3.46Å; Q1100-V1104 PolarHBondContact O-N 2.57Å; S1101-V1104 PolarHBondContact O-N 3.42Å; V1104-R1106 PolarHBondContact O-N 3.31Å; V1104-F1107 WeakPolarHBondContact O-CD2 2.99Å; V1104-F1107 PolarHBondContact O-N 3.46Å; V1104-F1107 VanDerWaalsContact O-N 3.14Å
1105	S	89.3	Confident	84.7	Confident	65 Å²	65	73 Å²	73	46%	0.455	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-61.7	-14.5	177.5	69.8	0	0	0	0	114.3	S1101 K1102 L1103 F1107 G1108	S1101-S1105 PolarHBondContact O-N 3.11Å; K1102-S1105 PolarHBondContact O-OG 2.89Å; L1103-S1105 VanDerWaalsContact C-N 3.32Å; L1103-S1105 PolarHBondContact O-N 3.48Å; S1105-F1107 VanDerWaalsContact C-N 3.29Å; S1105-F1107 PolarHBondContact O-N 3.18Å; S1105-G1108 PolarHBondContact O-N 3.08Å
1106	R	89.2	Confident	84.7	Confident	56 Å²	56	74.1 Å²	74.1	21%	0.211	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-73.2	-17	176.8	-65.9	174	61.8	-159.8	-1.6	114.2	T1019 D1030 A1031 A1032 L1103 V1104 G1108	T1019-R1106 PolarHBondContact O-NH1 2.97Å; T1019-R1106 VanDerWaalsContact O-NH1 3.12Å; T1019-R1106 PolarHBondContact O-NH2 3.41Å; D1030-R1106 PolarHBondContact O-NE 3.01Å; D1030-R1106 VanDerWaalsContact O-NE 3.16Å; A1031-R1106 PolarHBondContact O-NH2 2.95Å; A1032-R1106 HydrophobicContact CB-CB 3.94Å; A1032-R1106 WeakPolarHBondContact CB-O 3.47Å; A1032-R1106 PolarHBondContact N-O 2.7Å; L1103-R1106 WeakPolarHBondContact O-CB 3.3Å; L1103-R1106 PolarHBondContact O-N 3.15Å; V1104-R1106 PolarHBondContact O-N 3.31Å; R1106-G1108 PolarHBondContact O-N 3.26Å
1107	F	86.5	Confident	84.8	Confident	31 Å²	31	75.7 Å²	75.7	14%	0.136	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-75.9	-8	177.1	-72.4	-87.3	0	0	0	112.5	I1021 A1032 V1033 E1041 L1044 Y1045 V1104 S1105	I1021-F1107 HydrophobicContact CD1-CD2 4.32Å; I1021-F1107 HydrophobicContact CD1-CE2 3.39Å; I1021-F1107 HydrophobicContact CD1-CZ 3.54Å; A1032-F1107 HydrophobicContact CB-CB 4.36Å; A1032-F1107 HydrophobicContact CB-CD1 3.47Å; A1032-F1107 VanDerWaalsContact CB-CD1 3.47Å; A1032-F1107 HydrophobicContact CB-CD2 3.84Å; A1032-F1107 HydrophobicContact CB-CE1 3.63Å; A1032-F1107 HydrophobicContact CB-CE2 3.98Å; A1032-F1107 HydrophobicContact CB-CG 3.6Å; A1032-F1107 HydrophobicContact CB-CZ 3.88Å; V1033-F1107 HydrophobicContact CG1-CE1 4.06Å; E1041-F1107 HydrophobicContact CG-CD1 4.05Å; E1041-F1107 HydrophobicContact CG-CE1 4.14Å; L1044-F1107 HydrophobicContact CB-CE1 4.49Å; L1044-F1107 HydrophobicContact CB-CZ 4.31Å; Y1045-F1107 HydrophobicContact CD2-CB 3.82Å; Y1045-F1107 HydrophobicContact CD2-CD1 4.15Å; Y1045-F1107 AromaticContact CD2-CD2 3.85Å; Y1045-F1107 HydrophobicContact CD2-CD2 3.85Å; Y1045-F1107 HydrophobicContact CD2-CE2 4.41Å; Y1045-F1107 AromaticContact CD2-CG 3.69Å; Y1045-F1107 HydrophobicContact CD2-CG 3.69Å; Y1045-F1107 HydrophobicContact CE2-CB 4.17Å; Y1045-F1107 HydrophobicContact CE2-CG 4.45Å; V1104-F1107 WeakPolarHBondContact O-CD2 2.99Å; V1104-F1107 PolarHBondContact O-N 3.46Å; V1104-F1107 VanDerWaalsContact O-N 3.14Å; S1105-F1107 VanDerWaalsContact C-N 3.29Å; S1105-F1107 PolarHBondContact O-N 3.18Å
1108	G	77	Confident	84.4	Confident	51 Å²	51	79.9 Å²	79.9	53%	0.526	40%	0.403	S	S	.	.			trans	77.7	146.4	-171.2	0	0	0	0	0	110.7	S1105 R1106	S1105-G1108 PolarHBondContact O-N 3.08Å; R1106-G1108 PolarHBondContact O-N 3.26Å
1109	W	49.3	Very low	83.9	Confident	317 Å²	317	79.5 Å²	79.5	100%	1.201	40%	0.399	S	S	*	.			trans	-84.7	0	165.2	-78.4	80.9	0	0	0	109.4

Retrieved 1,109 of 1,109 residues in 853.9 ms (Link to these results)

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