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Helicase ARIP4 AlphaSync

DNA helicase that modulates androgen receptor (AR)-dependent transactivation in a promoter-dependent manner¹. May stimulate the release of RNA polymerase II, that has paused near the transcription start sites of AR-targeted genes and unwind R-loops formed at these sites; R-loops result from the hybridization of the short RNA strand nascently synthesized by the paused RNA polymerase II molecule and the DNA template (By similarity). May also stimulate double-strand break formation by TOP2B, which appears important for transcriptional output (By similarity). Not able to remodel mononucleosomes in vitro².

AlphaFold DB , UniProt , Accession Q99NG0, Species MOUSE (Mus musculus, Mouse), Gene Rad54l2, Length 1,467 aa.

						>ARIP4_MOUSE|Q99NG0|Rad54l2
MSDESASGSDPDLDPDVELEDEEEEEEEEEEVAVEEHDRDDEEGLLDDTSLEGMCGTEHAQLGEDGQRPPRCTSTTSSQSEPSEQLRHQGKILASEDPKKKRAQKPSHMRRNIRKLLREDQLEPVTKAAQQEELERRKRLEQQRKEYAAPIPTVPLEFLPEEIVLRASDGPQLPPRVLAQEVICLDSSSGSEDEKSSRDEVIELSSGEEDTLHIVDSSESVSEEDEEEEKGGTHVNDALNQHDALGRVLVNLNHPPEEENVFLAPQLARAVKPHQIGGIRFLYDNLVESLERFKTSSGFGCILAHSMGLGKTLQVISFIDVLFRHTPAKTVLAIVPVNTLQNWLAEFNMWLPAPEALPADSKPEEVQPRFFKVHILNDEHKTVASRAKVTADWVSEGGVLLMGYEMYRLLTLKKSLATSRPKKTKKRSHPVIIDLDEEDRQQEFRREFEKALCRPGPDVVICDEGHRIKNCQASTSQALKNIRSRRRVVLTGYPLQNNLIEYWCMVDFVRPDFLGTRQEFSNMFERPILNGQCIDSTPQDVRLMRYRSHVLHSLLEGFVQRRGHTVLKIHLPAKEENVILVRLSQIQRDLYTQFMDRFRDCGTSGWLGLNPLKAFCVCCKIWNHPDVLYEALQKENLANEQDLDVEELGSAGTSARCPPHGTKVKGEDSALPSSMGEATNSKFLQGVGFNPFQERGNNIVTYEWAKELLTNYQTGVLENSPKMVLLFHLIEESVKLGDKILVFSQSLSTLALIEEFLGKRDMPCLPGAEGQGTQKWVRNVSYFRLDGSTPAFERERLINQFNDPSNLTTWLFLLSTRAGCLGVNLIGANRVVVFDASWNPCHDAQAVCRVYRYGQKKPCHIYRLVADYTLEKKIYDRQISKQGMSDRVVDDLNPMLNFTRKEVENLLHFVEKEPAPQTSLDIKGIKESVLQLACLKYPHLITKEPFEHESLLLNRKDHKLTKAEKKAAKKSYEEDKRTSVPYTRPSYAQYYPASDQSLTSIPAFSQRNWQPTLKGDEKPVASVRPVQSTPIPMMPRHVPLSGGVSSASSTNTSMNFPINYLQRAGVLVQKVVTTTDIVIPGLNSSTDVQARINAGESIHIIRGTKGTYIRTSDGRIFAVRATGKPKAPEDGRMAASGSQGPSLASTSNGRHSASSPKAPDPEGLARPVSPDSPEIISELQQYADVAAARESRQSSPSVSAALPGPPGQLMDNSTIPGTALGTEPCLGGHCLNSSLLVTGQPSGGRHPVLDLRGHKRKLATPSVTQESVRRRSRKGHLPAPVQPYEHGYPVSGGFAMPPVSLNHNLTTPFTSQAGENSLFMGSNPSYYQLSNLLADARLVFPVTTDPLVPAGPVSSSSTATSVTASNPSFMLNPSVPGMLPSYSLPFSQPLLSEPRMFAPFPSPGLPSNLSRGVSVYPGYMSPHAGYPAGGLLRSQVPPFDSHEVAEVGFSSNDDEDKDDDVIEVTGK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	35.6	Very low	36.7	Very low	234 Å²	234	129.2 Å²	129.2	100%	1.153	80%	0.804	S	S	*	*				0	98.7	0	-70.8	165.4	177.4	0	0	104.9
2	S	34.3	Very low	37	Very low	91 Å²	91	131.4 Å²	131.4	64%	0.636	81%	0.807	S	S	*	*				76.4	110.9	63.5	69.4	0	0	0	0	111.3
3	D	35.4	Very low	37.3	Very low	141 Å²	141	134.7 Å²	134.7	75%	0.754	82%	0.815	S	S	*	*			cis	-151	177.4	-1.4	-84.3	-49.1	0	0	0	109.9
4	E	35.8	Very low	37.3	Very low	173 Å²	173	134.7 Å²	134.7	81%	0.808	81%	0.808	S	S	*	*			trans	16.9	156.8	145.1	-62.4	-166.9	90.1	0	0	122.7
5	S	35.9	Very low	37.8	Very low	95 Å²	95	131.4 Å²	131.4	66%	0.664	79%	0.791	S	S	*	*			cis	-179.2	157.6	-16	-89.5	0	0	0	0	108.6
6	A	37.5	Very low	38.1	Very low	99 Å²	99	129.7 Å²	129.7	82%	0.818	78%	0.776	S	S	*	*			trans	65.9	152.6	168	0	0	0	0	0	118.2
7	S	37	Very low	38.4	Very low	127 Å²	127	128.2 Å²	128.2	89%	0.888	77%	0.768	S	S	*	*			cis	134.2	122.4	-14.1	174.3	0	0	0	0	111
8	G	35.9	Very low	38.7	Very low	64 Å²	64	129.7 Å²	129.7	66%	0.66	77%	0.766	S	S	*	*			trans	168.3	124.3	166.3	0	0	0	0	0	117
9	S	37.3	Very low	38.9	Very low	123 Å²	123	126.3 Å²	126.3	86%	0.86	74%	0.743	S	S	*	*			trans	58.5	121	157.4	50.2	0	0	0	0	121.3
10	D	37.6	Very low	39.2	Very low	153 Å²	153	124 Å²	124	82%	0.818	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-76.8	161.5	156.7	-50.2	-79.4	0	0	0	112
11	P	41.9	Very low	39.5	Very low	121 Å²	121	123.4 Å²	123.4	79%	0.786	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-95.9	154	158.8	36.9	-30.3	0	0	0	112.2
12	D	39.4	Very low	40.3	Very low	156 Å²	156	114.5 Å²	114.5	83%	0.834	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-70.7	166.7	168.7	-62.5	-78.5	0	0	0	111.9
13	L	40.9	Very low	41.1	Very low	174 Å²	174	112 Å²	112	91%	0.911	65%	0.653	S	S	*	*			trans	-105	121.6	171.8	-76.4	166.9	0	0	0	109.4
14	D	38.4	Very low	41.7	Very low	135 Å²	135	112.7 Å²	112.7	72%	0.722	65%	0.651	S	S	*	*			trans	-74.8	135	-179.3	-65.2	-53.8	0	0	0	111.9
15	P	44.3	Very low	42.3	Very low	85 Å²	85	109.3 Å²	109.3	55%	0.552	64%	0.635	S	S	*	*			trans	-87.2	-0.6	-179.4	36.6	-37.1	0	0	0	113.9	V17	P15-V17 PolarHBondContact O-N 2.98Å
16	D	42.2	Very low	43	Very low	104 Å²	104	106.8 Å²	106.8	56%	0.556	61%	0.613	S	S	*	*	S	Bend	trans	-76.1	-20.6	-162	-67.1	-23.6	0	0	0	114.3
17	V	43.3	Very low	43.6	Very low	105 Å²	105	104.2 Å²	104.2	64%	0.636	58%	0.584	S	S	*	*	S	Bend	trans	-73.3	-42.9	-176.7	-175.8	0	0	0	0	112.3	P15 L19 E20	P15-V17 PolarHBondContact O-N 2.98Å; V17-L19 PolarHBondContact O-N 3.24Å; V17-E20 PolarHBondContact O-N 3.23Å; V17-E20 VanDerWaalsContact O-N 3.07Å
18	E	44.2	Very low	44.1	Very low	155 Å²	155	103.5 Å²	103.5	72%	0.724	57%	0.567	S	S	*	*	H	α-helix	trans	-60.8	-21.6	-180	-63.6	-177.3	164.2	0	0	112.4	E22	E18-E22 PolarHBondContact O-N 3.34Å
19	L	42.9	Very low	44.7	Very low	65 Å²	65	105.8 Å²	105.8	34%	0.34	56%	0.56	S	S	.	*	H	α-helix	trans	-83.9	-10.4	-179.7	-63.9	174.1	0	0	0	113.8	V17 K634	V17-L19 PolarHBondContact O-N 3.24Å; L19-K634 VanDerWaalsContact C-NZ 3.32Å; L19-K634 PolarHBondContact O-NZ 2.79Å
20	E	45	Very low	45.2	Very low	79 Å²	79	102 Å²	102	37%	0.369	53%	0.529	S	S	.	.	H	α-helix	trans	-86	-45.1	175.2	-56	-155.2	133.9	0	0	110.5	V17 E22 E23 E24 K634	V17-E20 PolarHBondContact O-N 3.23Å; V17-E20 VanDerWaalsContact O-N 3.07Å; E20-E22 PolarHBondContact O-N 2.66Å; E20-E23 PolarHBondContact O-N 3.44Å; E20-E23 VanDerWaalsContact O-N 3.07Å; E20-E24 PolarHBondContact O-N 3.37Å; E20-E24 VanDerWaalsContact O-N 3.13Å; E20-K634 HydrophobicContact CG-CD 4.06Å; E20-K634 WeakPolarHBondContact OE1-CB 3.47Å; E20-K634 WeakPolarHBondContact OE1-CD 3.45Å; E20-K634 VanDerWaalsContact OE1-CG 3.27Å; E20-K634 WeakPolarHBondContact OE1-CG 3.28Å
21	D	44.6	Very low	45.4	Very low	113 Å²	113	97.5 Å²	97.5	60%	0.604	50%	0.503	S	S	*	.	H	α-helix	trans	-59.7	-43.3	172.5	-62.6	-37.5	0	0	0	111.9	E23 E24 E25	D21-E23 PolarHBondContact O-N 2.99Å; D21-E24 PolarHBondContact O-N 3.46Å; D21-E25 PolarHBondContact O-N 3.17Å
22	E	51.7	Low	45.4	Very low	46 Å²	46	95.2 Å²	95.2	22%	0.215	49%	0.487	C	S	.	.	H	α-helix	trans	-61.3	-26.2	174.8	-82.1	-161.3	160.7	0	0	113	E18 E20 E26 S788	E18-E22 PolarHBondContact O-N 3.34Å; E20-E22 PolarHBondContact O-N 2.66Å; E22-E26 PolarHBondContact O-N 3.43Å; E22-E26 VanDerWaalsContact O-N 3.16Å; E22-S788 WeakPolarHBondContact OE1-CB 3.19Å; E22-S788 PolarHBondContact OE1-OG 2.92Å
23	E	51.1	Low	45.2	Very low	39 Å²	39	89.7 Å²	89.7	18%	0.182	46%	0.463	C	S	.	.	H	α-helix	trans	-85.5	-33.7	178.2	-80.8	-166.9	-112.2	0	0	113.5	E20 D21 E26 E27 K620 K634	E20-E23 PolarHBondContact O-N 3.44Å; E20-E23 VanDerWaalsContact O-N 3.07Å; D21-E23 PolarHBondContact O-N 2.99Å; E23-E26 PolarHBondContact O-N 2.9Å; E23-E27 PolarHBondContact O-N 2.89Å; E23-E27 VanDerWaalsContact O-N 3.15Å; E23-K620 IonicContact OE2-NZ 2.61Å; E23-K620 PolarHBondContact OE2-NZ 2.91Å; E23-K634 IonicContact OE1-NZ 2.66Å; E23-K634 PolarHBondContact OE1-NZ 3.49Å
24	E	48.4	Very low	45.3	Very low	155 Å²	155	83.2 Å²	83.2	72%	0.724	43%	0.43	S	S	*	.	H	α-helix	trans	-70.3	-38	170.3	-65.3	-148.7	150	0	0	111.3	E20 D21 E26 E27 E28	E20-E24 PolarHBondContact O-N 3.37Å; E20-E24 VanDerWaalsContact O-N 3.13Å; D21-E24 PolarHBondContact O-N 3.46Å; E24-E26 PolarHBondContact O-N 3.39Å; E24-E27 PolarHBondContact O-N 3.16Å; E24-E28 PolarHBondContact O-N 3.44Å
25	E	49.7	Very low	45.3	Very low	102 Å²	102	81.4 Å²	81.4	48%	0.477	42%	0.417	S	S	.	.	H	α-helix	trans	-61.3	-39.1	169.9	-77.6	-155	155.3	0	0	112.1	D21 E29	D21-E25 PolarHBondContact O-N 3.17Å; E25-E29 VanDerWaalsContact O-CB 3.23Å; E25-E29 WeakPolarHBondContact O-CB 3.41Å; E25-E29 PolarHBondContact O-N 3.18Å
26	E	50.6	Low	45.1	Very low	42 Å²	42	81.1 Å²	81.1	20%	0.196	41%	0.409	C	S	.	.	H	α-helix	trans	-60.7	-44.9	173.6	-85.5	-155.8	150.1	0	0	112.1	E22 E23 E24 E30 S746 L747	E22-E26 PolarHBondContact O-N 3.43Å; E22-E26 VanDerWaalsContact O-N 3.16Å; E23-E26 PolarHBondContact O-N 2.9Å; E24-E26 PolarHBondContact O-N 3.39Å; E26-E30 WeakPolarHBondContact O-CB 3.46Å; E26-E30 WeakPolarHBondContact O-CG 3.5Å; E26-E30 PolarHBondContact O-N 3.26Å; E26-S746 WeakPolarHBondContact OE1-CA 3.17Å; E26-L747 HydrophobicContact CG-CD1 4.32Å; E26-L747 WeakPolarHBondContact OE1-CG 3.32Å; E26-L747 PolarHBondContact OE1-N 2.81Å
27	E	49.6	Very low	45.3	Very low	46 Å²	46	78.6 Å²	78.6	22%	0.215	39%	0.394	C	S	.	.	H	α-helix	trans	-69.4	-39.1	179	-72	-149.9	-177.9	0	0	112.7	E23 E24 E30 E31 K613	E23-E27 PolarHBondContact O-N 2.89Å; E23-E27 VanDerWaalsContact O-N 3.15Å; E24-E27 PolarHBondContact O-N 3.16Å; E27-E30 PolarHBondContact O-N 3.28Å; E27-E31 PolarHBondContact O-N 2.88Å; E27-K613 IonicContact OE2-NZ 3.95Å; E27-K613 PolarHBondContact OE2-NZ 3.09Å
28	E	47.3	Very low	45	Very low	111 Å²	111	78.7 Å²	78.7	52%	0.519	39%	0.39	S	S	.	.	H	α-helix	trans	-67.5	-41.7	172.7	-71.7	-142.3	154.1	0	0	112.1	E24 E30 E31 V32	E24-E28 PolarHBondContact O-N 3.44Å; E28-E30 PolarHBondContact O-N 2.78Å; E28-E31 PolarHBondContact O-N 3.41Å; E28-V32 VanDerWaalsContact O-CB 3.3Å; E28-V32 WeakPolarHBondContact O-CB 3.27Å; E28-V32 VanDerWaalsContact O-CG2 3.28Å; E28-V32 WeakPolarHBondContact O-CG2 3.41Å; E28-V32 PolarHBondContact O-N 3.39Å
29	E	47.7	Very low	44.7	Very low	112 Å²	112	80 Å²	80	52%	0.523	39%	0.389	S	S	.	.	H	α-helix	trans	-66.8	-21.1	175.6	-94.5	-130.5	160.2	0	0	113.2	E25 A33 R817	E25-E29 VanDerWaalsContact O-CB 3.23Å; E25-E29 WeakPolarHBondContact O-CB 3.41Å; E25-E29 PolarHBondContact O-N 3.18Å; E29-A33 WeakPolarHBondContact O-CB 3.3Å; E29-R817 PolarHBondContact O-NH1 3.01Å; E29-R817 PolarHBondContact O-NH2 3.22Å; E29-R817 WeakPolarHBondContact OE2-CD 3.32Å; E29-R817 IonicContact OE2-CZ 3.64Å; E29-R817 IonicContact OE2-NE 3.58Å; E29-R817 IonicContact OE2-NH1 2.8Å; E29-R817 PolarHBondContact OE2-NH1 3.05Å
30	E	48	Very low	44.5	Very low	44 Å²	44	79.2 Å²	79.2	21%	0.206	39%	0.385	C	S	.	.	H	α-helix	trans	-83	-46.3	170.4	-70.8	-105.7	122.1	0	0	111.5	E26 E27 E28 A33 V34 F615 R817	E26-E30 WeakPolarHBondContact O-CB 3.46Å; E26-E30 WeakPolarHBondContact O-CG 3.5Å; E26-E30 PolarHBondContact O-N 3.26Å; E27-E30 PolarHBondContact O-N 3.28Å; E28-E30 PolarHBondContact O-N 2.78Å; E30-A33 PolarHBondContact O-N 3.27Å; E30-V34 PolarHBondContact O-N 3.08Å; E30-F615 WeakPolarHBondContact OE2-CD1 3.5Å; E30-F615 WeakPolarHBondContact OE2-CE1 3.37Å; E30-R817 IonicContact OE1-NH2 3.4Å; E30-R817 PolarHBondContact OE1-NH2 3.31Å
31	E	42.6	Very low	44.3	Very low	59 Å²	59	81.3 Å²	81.3	28%	0.276	40%	0.399	S	S	.	.	H	α-helix	trans	-65	-46.7	178.1	-69.5	-155.3	156.4	0	0	111.7	E27 E28 A33 V34 E35 N610 L612 K613	E27-E31 PolarHBondContact O-N 2.88Å; E28-E31 PolarHBondContact O-N 3.41Å; E31-A33 VanDerWaalsContact C-N 3.31Å; E31-A33 PolarHBondContact O-N 2.93Å; E31-V34 PolarHBondContact O-N 3.42Å; E31-V34 VanDerWaalsContact O-N 3.16Å; E31-E35 WeakPolarHBondContact O-CB 3.38Å; E31-E35 PolarHBondContact O-N 2.85Å; E31-N610 PolarHBondContact OE1-ND2 3.26Å; E31-L612 HydrophobicContact CB-CD1 4.37Å; E31-L612 HydrophobicContact CG-CB 4.47Å; E31-L612 HydrophobicContact CG-CD1 4.1Å; E31-K613 VanDerWaalsContact OE1-CE 3.23Å; E31-K613 WeakPolarHBondContact OE1-CE 3.49Å; E31-K613 IonicContact OE1-NZ 3.72Å
32	V	41.2	Very low	44	Very low	73 Å²	73	83.6 Å²	83.6	44%	0.442	41%	0.406	S	S	.	.	H	α-helix	trans	-61.3	-37.3	177.3	172.7	0	0	0	0	112.1	E28 V34 E36	E28-V32 VanDerWaalsContact O-CB 3.3Å; E28-V32 WeakPolarHBondContact O-CB 3.27Å; E28-V32 VanDerWaalsContact O-CG2 3.28Å; E28-V32 WeakPolarHBondContact O-CG2 3.41Å; E28-V32 PolarHBondContact O-N 3.39Å; V32-V34 PolarHBondContact O-N 3.22Å; V32-E36 PolarHBondContact O-N 3Å
33	A	35.9	Very low	43.3	Very low	40 Å²	40	91.1 Å²	91.1	33%	0.331	44%	0.441	S	S	.	.	H	α-helix	trans	-66.1	-20.4	179.8	0	0	0	0	0	113.8	E29 E30 E31	E29-A33 WeakPolarHBondContact O-CB 3.3Å; E30-A33 PolarHBondContact O-N 3.27Å; E31-A33 VanDerWaalsContact C-N 3.31Å; E31-A33 PolarHBondContact O-N 2.93Å
34	V	42.6	Very low	42.4	Very low	37 Å²	37	92.4 Å²	92.4	22%	0.224	47%	0.465	C	S	.	.	H	α-helix	trans	-109.9	-25.9	178.1	-170.2	0	0	0	0	113.1	E30 E31 V32 E36 H37 D38 L612	E30-V34 PolarHBondContact O-N 3.08Å; E31-V34 PolarHBondContact O-N 3.42Å; E31-V34 VanDerWaalsContact O-N 3.16Å; V32-V34 PolarHBondContact O-N 3.22Å; V34-E36 PolarHBondContact O-N 3.17Å; V34-H37 WeakPolarHBondContact O-CA 3.39Å; V34-H37 WeakPolarHBondContact O-CB 3.46Å; V34-H37 PolarHBondContact O-N 3Å; V34-D38 PolarHBondContact O-N 3.47Å; V34-L612 HydrophobicContact CB-CD1 3.84Å; V34-L612 HydrophobicContact CB-CD2 3.95Å; V34-L612 HydrophobicContact CG1-CD1 4.32Å; V34-L612 HydrophobicContact CG1-CD2 3.91Å; V34-L612 HydrophobicContact CG2-CD1 4.39Å; V34-L612 HydrophobicContact CG2-CD2 3.9Å
35	E	38.8	Very low	41.5	Very low	97 Å²	97	92.5 Å²	92.5	45%	0.453	47%	0.469	S	S	.	.	H	α-helix	trans	-55.1	-34.7	165.7	-94.5	-92.1	178.4	0	0	112.2	E31 H37 R39	E31-E35 WeakPolarHBondContact O-CB 3.38Å; E31-E35 PolarHBondContact O-N 2.85Å; E35-H37 PolarHBondContact O-N 2.97Å; E35-R39 WeakPolarHBondContact O-CG 3.25Å; E35-R39 IonicContact OE2-CZ 2.78Å; E35-R39 IonicContact OE2-NE 2.7Å; E35-R39 PolarHBondContact OE2-NE 3.34Å; E35-R39 IonicContact OE2-NH2 3.14Å; E35-R39 PolarHBondContact OE2-NH2 3.18Å
36	E	39.6	Very low	40.7	Very low	79 Å²	79	95.5 Å²	95.5	37%	0.369	49%	0.488	S	S	.	.	H	α-helix	trans	-66.5	-13.4	171.3	-86.3	-151.1	133	0	0	114.8	V32 V34 K469 N470	V32-E36 PolarHBondContact O-N 3Å; V34-E36 PolarHBondContact O-N 3.17Å; E36-K469 WeakPolarHBondContact OE2-CE 3.44Å; E36-K469 IonicContact OE2-NZ 2.76Å; E36-K469 PolarHBondContact OE2-NZ 2.99Å; E36-N470 PolarHBondContact O-ND2 3.49Å
37	H	46.4	Very low	39.7	Very low	52 Å²	52	101.1 Å²	101.1	24%	0.241	52%	0.519	C	S	.	.	H	α-helix	trans	-105.2	-47.4	-176.9	-98.6	-6.7	0	0	0	112.9	V34 E35 R39 D40 N497 E501	V34-H37 WeakPolarHBondContact O-CA 3.39Å; V34-H37 WeakPolarHBondContact O-CB 3.46Å; V34-H37 PolarHBondContact O-N 3Å; E35-H37 PolarHBondContact O-N 2.97Å; H37-R39 VanDerWaalsContact C-N 3.34Å; H37-R39 PolarHBondContact O-N 3.39Å; H37-D40 PolarHBondContact O-N 3.08Å; H37-N497 PolarHBondContact NE2-ND2 3.13Å; H37-E501 IonicContact CE1-OE1 3.04Å; H37-E501 PolarHBondContact CE1-OE1 3.47Å; H37-E501 IonicContact NE2-OE1 2.72Å
38	D	36.3	Very low	38.9	Very low	106 Å²	106	105.9 Å²	105.9	57%	0.567	55%	0.546	S	S	*	.	H	α-helix	trans	-74	-20.4	-169.6	-83.6	-13.1	0	0	0	114.3	V34 D40 D41	V34-D38 PolarHBondContact O-N 3.47Å; D38-D40 PolarHBondContact O-N 3.04Å; D38-D41 PolarHBondContact O-N 3.16Å
39	R	38.6	Very low	37.9	Very low	184 Å²	184	106.5 Å²	106.5	69%	0.694	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-8.4	175.4	-65.9	178.1	-175.7	-157.3	3.3	113.9	E35 H37	E35-R39 WeakPolarHBondContact O-CG 3.25Å; E35-R39 IonicContact OE2-CZ 2.78Å; E35-R39 IonicContact OE2-NE 2.7Å; E35-R39 PolarHBondContact OE2-NE 3.34Å; E35-R39 IonicContact OE2-NH2 3.14Å; E35-R39 PolarHBondContact OE2-NH2 3.18Å; H37-R39 VanDerWaalsContact C-N 3.34Å; H37-R39 PolarHBondContact O-N 3.39Å
40	D	39.7	Very low	37.3	Very low	48 Å²	48	104.8 Å²	104.8	26%	0.257	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.2	-7.9	-177.2	-91.3	-41.8	0	0	0	116.1	H37 D38 N470 R517	H37-D40 PolarHBondContact O-N 3.08Å; D38-D40 PolarHBondContact O-N 3.04Å; D40-N470 PolarHBondContact OD2-ND2 3.13Å; D40-N470 PolarHBondContact OD2-OD1 3.01Å; D40-R517 PolarHBondContact O-NH2 3.14Å; D40-R517 IonicContact OD1-CZ 2.79Å; D40-R517 IonicContact OD1-NH1 2.69Å; D40-R517 PolarHBondContact OD1-NH1 3.08Å; D40-R517 IonicContact OD1-NH2 2.75Å; D40-R517 PolarHBondContact OD1-NH2 3.27Å; D40-R517 IonicContact OD2-NH1 3.68Å
41	D	40.6	Very low	36.4	Very low	123 Å²	123	110.5 Å²	110.5	66%	0.658	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	-8.5	-180	-97.7	-42.4	0	0	0	114.4	D38 E43 G44	D38-D41 PolarHBondContact O-N 3.16Å; D41-E43 PolarHBondContact O-N 3.5Å; D41-E43 VanDerWaalsContact O-N 3.09Å; D41-G44 PolarHBondContact O-N 3.35Å
42	E	38.5	Very low	35.9	Very low	160 Å²	160	117.1 Å²	117.1	75%	0.748	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-57.9	-21.9	-177.9	-99.8	-85.3	106	0	0	115.4	G44	E42-G44 PolarHBondContact O-N 2.67Å
43	E	35.5	Very low	35.3	Very low	205 Å²	205	117 Å²	117	96%	0.958	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-77.3	2.1	173.2	-70.7	-143.6	141.6	0	0	113.9	D41	D41-E43 PolarHBondContact O-N 3.5Å; D41-E43 VanDerWaalsContact O-N 3.09Å
44	G	33.7	Very low	35	Very low	66 Å²	66	124.6 Å²	124.6	68%	0.68	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-92.1	-23.8	-174.9	0	0	0	0	0	117	D41 E42	D41-G44 PolarHBondContact O-N 3.35Å; E42-G44 PolarHBondContact O-N 2.67Å
45	L	29.6	Very low	34.2	Very low	156 Å²	156	128.9 Å²	128.9	82%	0.817	69%	0.694	S	S	*	*			trans	-115	106.3	-155.6	-150.6	76	0	0	0	114.5
46	L	31.3	Very low	33.8	Very low	166 Å²	166	127.9 Å²	127.9	87%	0.869	71%	0.71	S	S	*	*			trans	-143.5	133.2	167.1	-75.4	177.2	0	0	0	111
47	D	30.1	Very low	33.2	Very low	159 Å²	159	129.5 Å²	129.5	85%	0.85	73%	0.726	S	S	*	*			trans	46.7	109	173.1	-69.6	-12.7	0	0	0	118.5
48	D	32.8	Very low	32.5	Very low	146 Å²	146	136.3 Å²	136.3	78%	0.781	76%	0.758	S	S	*	*				-154.1	141.9	106	-149	-24.9	0	0	0	111.8
49	T	27.1	Very low	32.1	Very low	125 Å²	125	140.4 Å²	140.4	77%	0.767	77%	0.773	S	S	*	*			trans	-137.9	106.5	175.5	56.7	0	0	0	0	110.7
50	S	33.8	Very low	31.8	Very low	76 Å²	76	136.5 Å²	136.5	53%	0.531	78%	0.78	S	S	.	*			trans	-169.7	127.9	149.9	38.1	0	0	0	0	112.7	R1007	S50-R1007 PolarHBondContact OG-NH1 3.06Å; S50-R1007 PolarHBondContact OG-NH2 3.47Å
51	L	29	Very low	31.3	Very low	163 Å²	163	142.9 Å²	142.9	85%	0.853	81%	0.809	S	S	*	*			trans	-117	121.1	168.4	-124.7	176.4	0	0	0	107.8
52	E	32	Very low	30.8	Very low	198 Å²	198	145.4 Å²	145.4	93%	0.925	82%	0.821	S	S	*	*			trans	167.6	133.5	164.9	-103.9	177.9	-151.8	0	0	106.4
53	G	29.7	Very low	30.4	Very low	70 Å²	70	141.7 Å²	141.7	72%	0.722	83%	0.825	S	S	*	*			cis	163.4	126	-6.7	0	0	0	0	0	109
54	M	29.9	Very low	30.1	Very low	201 Å²	201	141.2 Å²	141.2	99%	0.99	82%	0.823	S	S	*	*			trans	-159.1	90.1	174.4	-109.6	171.7	76.6	0	0	110.9
55	C	25.6	Very low	30	Very low	126 Å²	126	146.2 Å²	146.2	85%	0.851	84%	0.835	S	S	*	*			trans	-86.1	128.8	162	-173.3	0	0	0	0	108.3
56	G	29.9	Very low	30	Very low	76 Å²	76	141.4 Å²	141.4	78%	0.784	82%	0.823	S	S	*	*			trans	-128.7	103.1	178.8	0	0	0	0	0	110.3
57	T	27.8	Very low	29.9	Very low	114 Å²	114	143.1 Å²	143.1	70%	0.699	83%	0.826	S	S	*	*			trans	-91.4	122.7	-174.8	-42	0	0	0	0	111.4
58	E	30.6	Very low	29.8	Very low	194 Å²	194	146.6 Å²	146.6	91%	0.907	83%	0.827	S	S	*	*			trans	-131	132.2	162.9	-70.2	-158.6	120.7	0	0	111.4
59	H	27.7	Very low	29.7	Very low	192 Å²	192	145.4 Å²	145.4	89%	0.889	83%	0.828	S	S	*	*			trans	-90.4	131.7	173.1	-84.4	-89.2	0	0	0	110.3
60	A	32.7	Very low	29.9	Very low	103 Å²	103	145.9 Å²	145.9	85%	0.851	83%	0.833	S	S	*	*			trans	-141	146.2	160.2	0	0	0	0	0	110.7
61	Q	29.7	Very low	29.6	Very low	182 Å²	182	153.6 Å²	153.6	85%	0.85	85%	0.85	S	S	*	*			trans	-95	147.8	-165.5	-63.5	161	-49.5	0	0	113.1
62	L	29.6	Very low	29.6	Very low	176 Å²	176	151.1 Å²	151.1	92%	0.921	85%	0.846	S	S	*	*			trans	40.9	113.7	141.8	-66.4	164.3	0	0	0	119.3
63	G	30.2	Very low	29.5	Very low	81 Å²	81	147.8 Å²	147.8	84%	0.835	84%	0.839	S	S	*	*			trans	-174.3	117.1	159.8	0	0	0	0	0	112.1
64	E	29.6	Very low	29.6	Very low	195 Å²	195	149 Å²	149	91%	0.911	84%	0.836	S	S	*	*			trans	-82.6	126	171.9	-67.6	167.1	91.7	0	0	110.3
65	D	32.2	Very low	29.6	Very low	172 Å²	172	145.5 Å²	145.5	92%	0.92	83%	0.826	S	S	*	*				-174.5	149.2	123.4	-115.1	-35.9	0	0	0	110.7
66	G	28.6	Very low	29.9	Very low	55 Å²	55	145.3 Å²	145.3	57%	0.567	82%	0.821	S	S	*	*			trans	-111.9	140.4	-169.7	0	0	0	0	0	115.6
67	Q	30.3	Very low	30	Very low	202 Å²	202	147.1 Å²	147.1	94%	0.944	82%	0.822	S	S	*	*			trans	-161.4	160.9	156.8	-114.7	145	92.3	0	0	114.6
68	R	27.7	Very low	30.3	Very low	231 Å²	231	145.7 Å²	145.7	87%	0.872	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-65.3	152.1	-167.3	-62.2	168.4	166.9	167.1	-8	115.2
69	P	31	Very low	30.4	Very low	122 Å²	122	145.4 Å²	145.4	79%	0.792	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-71.1	153.8	153.3	32.4	-33.3	0	0	0	111.8
70	P	31.1	Very low	30.6	Very low	135 Å²	135	140.5 Å²	140.5	88%	0.877	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-95.3	171.5	-163.8	37.4	-38	0	0	0	116
71	R	26.7	Very low	30.5	Very low	238 Å²	238	143.6 Å²	143.6	90%	0.898	80%	0.8	S	S	*	*			trans	-132.2	118.9	179.3	-152.5	-176	-167.3	-171.3	6.7	111.8
72	C	29.4	Very low	31	Very low	111 Å²	111	140.5 Å²	140.5	75%	0.75	80%	0.795	S	S	*	*			trans	71.6	169.7	155.9	-63.6	0	0	0	0	123.3
73	T	29.4	Very low	31.1	Very low	128 Å²	128	138.2 Å²	138.2	79%	0.785	79%	0.794	S	S	*	*			trans	68.9	102.5	164.8	62.9	0	0	0	0	119.9
74	S	31.6	Very low	31	Very low	95 Å²	95	142.2 Å²	142.2	66%	0.664	79%	0.791	S	S	*	*				84.8	145.2	62.3	70.3	0	0	0	0	117.2
75	T	30.8	Very low	30.9	Very low	127 Å²	127	140.1 Å²	140.1	78%	0.779	78%	0.781	S	S	*	*			trans	71.8	152.2	163.9	67.5	0	0	0	0	119.8
76	T	31.8	Very low	30.7	Very low	123 Å²	123	139.5 Å²	139.5	76%	0.755	78%	0.777	S	S	*	*			cis	-169.2	156.9	-24.7	29.7	0	0	0	0	110.8
77	S	32.7	Very low	30.5	Very low	113 Å²	113	146.9 Å²	146.9	79%	0.79	79%	0.788	S	S	*	*			trans	66.4	163.7	153.4	106	0	0	0	0	118.7
78	S	33.9	Very low	30.5	Very low	85 Å²	85	144.2 Å²	144.2	59%	0.594	78%	0.775	S	S	*	*			cis	-168.6	157.9	-5.7	31.9	0	0	0	0	111.4
79	Q	31.5	Very low	30.5	Very low	187 Å²	187	142 Å²	142	87%	0.874	77%	0.774	S	S	*	*			trans	66.7	146.7	163.7	-67.8	160.1	6.3	0	0	116.4
80	S	31.7	Very low	30.5	Very low	89 Å²	89	140.2 Å²	140.2	62%	0.622	78%	0.778	S	S	*	*			cis	-160.9	-169.9	-15.1	54.7	0	0	0	0	107.4
81	E	31.8	Very low	30.4	Very low	169 Å²	169	143 Å²	143	79%	0.79	78%	0.776	S	S	*	*			cis	-158	155.5	7.4	-143.9	144.1	103.4	0	0	108.9
82	P	39.7	Very low	30.6	Very low	116 Å²	116	138.6 Å²	138.6	75%	0.753	77%	0.769	S	S	*	*			trans	-97.5	159.4	-171.8	37	-34.3	0	0	0	115
83	S	31.1	Very low	30.7	Very low	128 Å²	128	140.6 Å²	140.6	90%	0.895	77%	0.772	S	S	*	*			trans	-156.6	154.8	160.7	-82	0	0	0	0	111.6
84	E	27.7	Very low	30.8	Very low	165 Å²	165	138.3 Å²	138.3	77%	0.771	77%	0.766	S	S	*	*			trans	-95.3	-174.2	-163.6	-51.2	-178.6	123.1	0	0	115
85	Q	27.9	Very low	30.8	Very low	152 Å²	152	139.1 Å²	139.1	71%	0.71	77%	0.771	S	S	*	*			trans	106.4	133	134.3	-86.5	167.7	50.7	0	0	121.2
86	L	29.3	Very low	31	Very low	159 Å²	159	142.2 Å²	142.2	83%	0.832	78%	0.777	S	S	*	*			trans	80.3	126.4	148.2	-71.9	163.4	0	0	0	121.5
87	R	24.7	Very low	31.1	Very low	210 Å²	210	142.6 Å²	142.6	79%	0.792	78%	0.775	S	S	*	*			trans	-76	146.3	170.5	-53.4	161.4	177.5	168.4	-2.8	110
88	H	29.8	Very low	31.3	Very low	146 Å²	146	142.7 Å²	142.7	68%	0.676	77%	0.772	S	S	*	*				162.2	142.6	106.9	-88.3	-69.1	0	0	0	114.2
89	Q	27.9	Very low	31.3	Very low	184 Å²	184	147.7 Å²	147.7	86%	0.86	78%	0.783	S	S	*	*			trans	35.1	115	146.5	-57.3	179.6	4.9	0	0	120.4
90	G	30.3	Very low	31.3	Very low	85 Å²	85	148.5 Å²	148.5	88%	0.876	78%	0.784	S	S	*	*			trans	-162.3	70.7	172.4	0	0	0	0	0	114.3
91	K	29.5	Very low	31.5	Very low	192 Å²	192	154.2 Å²	154.2	84%	0.835	80%	0.798	S	S	*	*			trans	-74.2	155.1	-167	-143.4	-175.8	-174.8	178.4	0	114.3
92	I	30.1	Very low	31.5	Very low	146 Å²	146	155 Å²	155	75%	0.749	79%	0.793	S	S	*	*			trans	65.3	144.4	164.1	5.6	-176.4	0	0	0	115.9
93	L	32	Very low	31.4	Very low	154 Å²	154	153.8 Å²	153.8	81%	0.806	79%	0.793	S	S	*	*			cis	-142.2	145.7	23.1	-85	160.7	0	0	0	115.4
94	A	31.7	Very low	31.7	Very low	79 Å²	79	156 Å²	156	65%	0.653	79%	0.789	S	S	*	*			trans	38.1	114.5	133.7	0	0	0	0	0	120.8
95	S	31.6	Very low	32.4	Very low	112 Å²	112	157.1 Å²	157.1	78%	0.783	79%	0.792	S	S	*	*				94.4	141.2	81.4	73.4	0	0	0	0	113.3
96	E	34.6	Very low	32.9	Very low	193 Å²	193	154.4 Å²	154.4	90%	0.902	79%	0.787	S	S	*	*			cis	-131.5	174.5	14.7	-69.5	-170.7	115.8	0	0	113.7
97	D	34.5	Very low	33.3	Very low	131 Å²	131	152.6 Å²	152.6	70%	0.701	79%	0.788	S	S	*	*			trans	-107.1	153.7	-175.3	-156.4	-48.8	0	0	0	110.5	K99	D97-K99 PolarHBondContact OD1-N 3.39Å
98	P	35.8	Very low	34.3	Very low	114 Å²	114	147.8 Å²	147.8	74%	0.74	77%	0.774	S	S	*	*				-142.3	117.5	122.1	34.5	-19.9	0	0	0	117.2
99	K	33.5	Very low	34.9	Very low	191 Å²	191	147.3 Å²	147.3	83%	0.83	77%	0.774	S	S	*	*			trans	70.7	85	134.4	-61.5	177.9	-178.9	174.8	0	117.3	D97 K101	D97-K99 PolarHBondContact OD1-N 3.39Å; K99-K101 PolarHBondContact O-N 2.86Å
100	K	32.3	Very low	35.7	Very low	203 Å²	203	144.7 Å²	144.7	88%	0.883	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-55.3	127.1	160.1	-66.9	172.1	179.4	171.2	0	111.9
101	K	35.2	Very low	37	Very low	210 Å²	210	144.9 Å²	144.9	91%	0.913	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-66.9	134.5	161.6	-75.5	-178.2	177.9	176.2	0	109.3	K99	K99-K101 PolarHBondContact O-N 2.86Å
102	R	32.4	Very low	37.8	Very low	184 Å²	184	141.7 Å²	141.7	69%	0.694	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-82.2	117.4	178.7	179	173.3	171.2	-169	0.2	109.2	Q104 F1004	R102-Q104 PolarHBondContact O-N 3.42Å; R102-F1004 HydrophobicContact CB-CZ 4.37Å; R102-F1004 HydrophobicContact CG-CE2 4.45Å; R102-F1004 HydrophobicContact CG-CZ 4.28Å
103	A	38	Very low	39	Very low	91 Å²	91	136.9 Å²	136.9	75%	0.752	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-58.4	131.1	179.6	0	0	0	0	0	111.4
104	Q	37.8	Very low	39.9	Very low	174 Å²	174	136.8 Å²	136.8	81%	0.813	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-71.3	140.5	168.2	-73.1	169.7	-63	0	0	109	R102	R102-Q104 PolarHBondContact O-N 3.42Å
105	K	42.5	Very low	40.9	Very low	190 Å²	190	141.5 Å²	141.5	83%	0.826	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-77.9	141.5	171.5	-69	-175.6	175.6	-174.7	0	109.2	S107	K105-S107 PolarHBondContact O-N 2.69Å
106	P	37.1	Very low	41.9	Very low	94 Å²	94	137.7 Å²	137.7	61%	0.61	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-63.9	133	173.9	26	-33.3	0	0	0	110.7	H108	P106-H108 PolarHBondContact O-N 2.77Å; P106-H108 PolarHBondContact O-ND1 3.28Å
107	S	37.6	Very low	42.9	Very low	121 Å²	121	130.6 Å²	130.6	85%	0.846	63%	0.631	S	S	*	*	S	Bend	trans	-70.4	1.7	-166.2	47.7	0	0	0	0	116.3	K105 M109	K105-S107 PolarHBondContact O-N 2.69Å; S107-M109 PolarHBondContact O-N 3.24Å
108	H	47.1	Very low	43.6	Very low	109 Å²	109	128.8 Å²	128.8	51%	0.505	61%	0.614	S	S	.	*			trans	-66.9	45.3	174.7	76.8	-35.7	0	0	0	114.3	P106 R110	P106-H108 PolarHBondContact O-N 2.77Å; P106-H108 PolarHBondContact O-ND1 3.28Å; H108-R110 PolarHBondContact O-N 3.03Å
109	M	40.5	Very low	44.7	Very low	137 Å²	137	126.7 Å²	126.7	68%	0.675	60%	0.595	S	S	*	*			trans	-59.7	110	-167.8	-85.1	-169.2	53.2	0	0	113.1	S107 R111	S107-M109 PolarHBondContact O-N 3.24Å; M109-R111 PolarHBondContact O-N 3.25Å
110	R	46.6	Very low	45.7	Very low	129 Å²	129	122.4 Å²	122.4	49%	0.487	58%	0.581	S	S	.	*			trans	-25.6	120.9	160.1	-171.2	-176.3	-162.6	-139.5	4.2	111.1	H108 N112 D540	H108-R110 PolarHBondContact O-N 3.03Å; R110-N112 PolarHBondContact O-N 3.13Å; R110-D540 IonicContact CZ-OD1 2.65Å; R110-D540 IonicContact NE-OD1 2.81Å; R110-D540 PolarHBondContact NE-OD1 3.46Å; R110-D540 IonicContact NE-OD2 2.65Å; R110-D540 PolarHBondContact NE-OD2 3.25Å; R110-D540 IonicContact NH2-OD1 2.75Å; R110-D540 PolarHBondContact NH2-OD1 2.68Å
111	R	55.6	Low	46.9	Very low	88 Å²	88	116.8 Å²	116.8	33%	0.332	56%	0.558	S	S	.	*			trans	-52.4	129.8	178.3	-62.9	-178.7	175.4	-155	-3.4	107.9	M109 I113 N530 E904	M109-R111 PolarHBondContact O-N 3.25Å; R111-I113 PolarHBondContact O-N 3.5Å; R111-N530 VanDerWaalsContact CB-OD1 3.31Å; R111-N530 WeakPolarHBondContact CB-OD1 3.42Å; R111-N530 WeakPolarHBondContact CG-OD1 3.33Å; R111-N530 PolarHBondContact N-OD1 3.48Å; R111-N530 PolarHBondContact O-ND2 3.29Å; R111-E904 IonicContact NH2-OE1 2.78Å
112	N	48	Very low	48.3	Very low	126 Å²	126	107 Å²	107	67%	0.674	52%	0.516	S	S	*	.			trans	-61.2	91.8	-168.9	-86.7	-49.6	0	0	0	111.9	R110 R114	R110-N112 PolarHBondContact O-N 3.13Å; N112-R114 VanDerWaalsContact C-N 3.29Å; N112-R114 PolarHBondContact O-N 3.21Å
113	I	54.6	Low	50.3	Low	44 Å²	44	103.3 Å²	103.3	23%	0.226	51%	0.506	C	S	.	.			trans	-66.5	93.8	167	-53.9	179.4	0	0	0	106.4	R111 L543	R111-I113 PolarHBondContact O-N 3.5Å; I113-L543 HydrophobicContact CD1-CD2 4.19Å
114	R	51.4	Low	52.3	Low	153 Å²	153	103.2 Å²	103.2	58%	0.577	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-55.7	149.7	166.5	-64.3	-178.8	-179.5	164.5	2.1	107.7	N112 L116	N112-R114 VanDerWaalsContact C-N 3.29Å; N112-R114 PolarHBondContact O-N 3.21Å; R114-L116 PolarHBondContact O-N 3.47Å
115	K	51.5	Low	54.6	Low	178 Å²	178	98.6 Å²	98.6	77%	0.774	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-51	132.6	174	-75.8	-170.6	174.7	-171.6	0	108.8	L117	K115-L117 PolarHBondContact O-N 2.96Å
116	L	53	Low	56.5	Low	31 Å²	31	89.5 Å²	89.5	16%	0.162	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-58.2	139	-176.2	-74	127.3	0	0	0	110.2	R114 R118 M523 D975	R114-L116 PolarHBondContact O-N 3.47Å; L116-R118 PolarHBondContact O-N 3.21Å; L116-M523 HydrophobicContact CD2-CB 4.5Å; L116-M523 HydrophobicContact CD2-CG 3.97Å; L116-D975 HydrophobicContact CD1-CB 4.01Å
117	L	54.9	Low	58.7	Low	44 Å²	44	88.4 Å²	88.4	23%	0.23	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-61.1	126.7	-179.9	-74.7	144.5	0	0	0	108.4	K115 Q121 E519	K115-L117 PolarHBondContact O-N 2.96Å; L117-Q121 HydrophobicContact CB-CB 4.26Å; L117-Q121 HydrophobicContact CD2-CB 3.92Å; L117-E519 HydrophobicContact CD1-CB 4.45Å; L117-E519 HydrophobicContact CD1-CG 3.89Å
118	R	50.4	Low	61.1	Low	93 Å²	93	85.5 Å²	85.5	35%	0.351	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-58.3	156.1	178.7	-59.9	179	-70.9	137.7	15.2	110	L116 D120 Q121 L122 S979	L116-R118 PolarHBondContact O-N 3.21Å; R118-D120 WeakPolarHBondContact CB-OD1 3.3Å; R118-D120 WeakPolarHBondContact CD-OD1 3.43Å; R118-D120 VanDerWaalsContact CZ-CG 3.41Å; R118-D120 IonicContact CZ-OD1 3.72Å; R118-D120 IonicContact CZ-OD2 3.85Å; R118-D120 IonicContact NE-OD1 2.79Å; R118-D120 PolarHBondContact NE-OD1 2.8Å; R118-D120 IonicContact NE-OD2 2.59Å; R118-D120 IonicContact NH1-OD1 3.81Å; R118-D120 PolarHBondContact NH1-OD1 3.11Å; R118-D120 IonicContact NH1-OD2 3.25Å; R118-D120 PolarHBondContact NH1-OD2 3.23Å; R118-D120 IonicContact NH2-OD1 2.96Å; R118-D120 IonicContact NH2-OD2 2.7Å; R118-D120 PolarHBondContact NH2-OD2 3.21Å; R118-D120 PolarHBondContact O-N 3.47Å; R118-Q121 HydrophobicContact CB-CB 4.17Å; R118-Q121 HydrophobicContact CB-CG 4.03Å; R118-Q121 HydrophobicContact CG-CG 4.4Å; R118-Q121 VanDerWaalsContact NE-CD 3.27Å; R118-Q121 CarbonylContact O-C 3.56Å; R118-Q121 WeakPolarHBondContact O-CA 3.44Å; R118-Q121 WeakPolarHBondContact O-CB 3.41Å; R118-Q121 PolarHBondContact O-N 2.85Å; R118-L122 PolarHBondContact O-N 3.35Å; R118-L122 VanDerWaalsContact O-N 3.07Å; R118-S979 WeakPolarHBondContact CG-OG 3.2Å
119	E	59.2	Low	63.1	Low	71 Å²	71	81 Å²	81	33%	0.332	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-55.4	-38.4	168.3	-170	142.9	-137	0	0	111.3	Q121 L122 K127 K976	E119-Q121 PolarHBondContact O-N 2.82Å; E119-L122 PolarHBondContact O-N 3.07Å; E119-K127 WeakPolarHBondContact O-CE 3.42Å; E119-K127 PolarHBondContact O-NZ 3.37Å; E119-K976 HydrophobicContact CB-CD 4.45Å; E119-K976 HydrophobicContact CB-CG 4.12Å; E119-K976 HydrophobicContact CG-CD 4.37Å; E119-K976 PolarHBondContact N-O 2.83Å; E119-K976 WeakPolarHBondContact OE1-CD 3.39Å; E119-K976 WeakPolarHBondContact OE1-CE 3.44Å; E119-K976 IonicContact OE1-NZ 3.64Å; E119-K976 PolarHBondContact OE1-NZ 2.82Å
120	D	53.3	Low	65.3	Low	101 Å²	101	76.2 Å²	76.2	54%	0.54	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-75	-2.6	173.5	77.6	-63.8	0	0	0	115	R118	R118-D120 WeakPolarHBondContact CB-OD1 3.3Å; R118-D120 WeakPolarHBondContact CD-OD1 3.43Å; R118-D120 VanDerWaalsContact CZ-CG 3.41Å; R118-D120 IonicContact CZ-OD1 3.72Å; R118-D120 IonicContact CZ-OD2 3.85Å; R118-D120 IonicContact NE-OD1 2.79Å; R118-D120 PolarHBondContact NE-OD1 2.8Å; R118-D120 IonicContact NE-OD2 2.59Å; R118-D120 IonicContact NH1-OD1 3.81Å; R118-D120 PolarHBondContact NH1-OD1 3.11Å; R118-D120 IonicContact NH1-OD2 3.25Å; R118-D120 PolarHBondContact NH1-OD2 3.23Å; R118-D120 IonicContact NH2-OD1 2.96Å; R118-D120 IonicContact NH2-OD2 2.7Å; R118-D120 PolarHBondContact NH2-OD2 3.21Å; R118-D120 PolarHBondContact O-N 3.47Å
121	Q	58.7	Low	67.3	Low	85 Å²	85	74.4 Å²	74.4	40%	0.397	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-102.1	-11.3	169	-72.4	173.7	-36.9	0	0	114.1	L117 R118 E119 E123	L117-Q121 HydrophobicContact CB-CB 4.26Å; L117-Q121 HydrophobicContact CD2-CB 3.92Å; R118-Q121 HydrophobicContact CB-CB 4.17Å; R118-Q121 HydrophobicContact CB-CG 4.03Å; R118-Q121 HydrophobicContact CG-CG 4.4Å; R118-Q121 VanDerWaalsContact NE-CD 3.27Å; R118-Q121 CarbonylContact O-C 3.56Å; R118-Q121 WeakPolarHBondContact O-CA 3.44Å; R118-Q121 WeakPolarHBondContact O-CB 3.41Å; R118-Q121 PolarHBondContact O-N 2.85Å; E119-Q121 PolarHBondContact O-N 2.82Å; Q121-E123 PolarHBondContact O-N 3.35Å
122	L	63.1	Low	69	Low	5 Å²	5	72.8 Å²	72.8	3%	0.026	36%	0.362	C	S	.	.	S	Bend	trans	-66.4	132.8	166.9	-66.1	179.1	0	0	0	109	R118 E119 T126 K127 E519 M523	R118-L122 PolarHBondContact O-N 3.35Å; R118-L122 VanDerWaalsContact O-N 3.07Å; E119-L122 PolarHBondContact O-N 3.07Å; L122-T126 HydrophobicContact CB-CG2 4.45Å; L122-T126 HydrophobicContact CD1-CG2 4.42Å; L122-T126 HydrophobicContact CD2-CG2 4.47Å; L122-K127 HydrophobicContact CB-CG 4.49Å; L122-K127 WeakPolarHBondContact O-CE 3.48Å; L122-K127 PolarHBondContact O-NZ 2.97Å; L122-E519 WeakPolarHBondContact CA-OE1 3.43Å; L122-E519 HydrophobicContact CD2-CB 4.33Å; L122-E519 HydrophobicContact CD2-CG 3.83Å; L122-M523 HydrophobicContact CD2-SD 4.14Å
123	E	75.3	Confident	71	Confident	106 Å²	106	66.9 Å²	66.9	50%	0.495	33%	0.33	S	S	.	.			trans	-51.1	143.4	175.2	-70.2	-62.9	163.9	0	0	110.7	Q121 V125 T126 K127 T516 E519	Q121-E123 PolarHBondContact O-N 3.35Å; E123-V125 PolarHBondContact O-N 3.47Å; E123-V125 VanDerWaalsContact O-N 3.16Å; E123-T126 VanDerWaalsContact O-CB 3.32Å; E123-T126 WeakPolarHBondContact O-CB 3.39Å; E123-T126 PolarHBondContact O-N 2.9Å; E123-T126 VanDerWaalsContact O-N 3.09Å; E123-K127 PolarHBondContact O-N 2.99Å; E123-T516 HydrophobicContact CG-CG2 4.09Å; E123-E519 PolarHBondContact N-OE1 3.43Å; E123-E519 VanDerWaalsContact N-OE1 3.12Å
124	P	80.1	Confident	72.6	Confident	89 Å²	89	68.5 Å²	68.5	58%	0.578	34%	0.339	S	S	*	.	H	α-helix	trans	-62.8	-26.7	-175.6	25.7	-32.9	0	0	0	112.1	K127 A128	P124-K127 PolarHBondContact O-N 3.26Å; P124-A128 PolarHBondContact O-N 3Å
125	V	85.1	Confident	74.6	Confident	76 Å²	76	64.8 Å²	64.8	46%	0.461	33%	0.328	S	S	.	.	H	α-helix	trans	-66.5	-45.2	174.7	-165	0	0	0	0	111.1	E123 K127 A128 A129 D512	E123-V125 PolarHBondContact O-N 3.47Å; E123-V125 VanDerWaalsContact O-N 3.16Å; V125-K127 PolarHBondContact O-N 2.88Å; V125-A128 PolarHBondContact O-N 2.86Å; V125-A128 VanDerWaalsContact O-N 3.11Å; V125-A129 PolarHBondContact O-N 3.28Å; V125-D512 HydrophobicContact CB-CB 4.35Å; V125-D512 HydrophobicContact CG1-CB 3.89Å; V125-D512 VanDerWaalsContact CG1-OD2 3.31Å; V125-D512 WeakPolarHBondContact CG1-OD2 3.33Å
126	T	83.9	Confident	76.5	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-53.3	-42.4	174.1	-53.8	0	0	0	0	111.8	L122 E123 Q130 D512 G515 E519	L122-T126 HydrophobicContact CB-CG2 4.45Å; L122-T126 HydrophobicContact CD1-CG2 4.42Å; L122-T126 HydrophobicContact CD2-CG2 4.47Å; E123-T126 VanDerWaalsContact O-CB 3.32Å; E123-T126 WeakPolarHBondContact O-CB 3.39Å; E123-T126 PolarHBondContact O-N 2.9Å; E123-T126 VanDerWaalsContact O-N 3.09Å; T126-Q130 WeakPolarHBondContact O-CB 3.48Å; T126-Q130 VanDerWaalsContact O-CG 3.32Å; T126-Q130 WeakPolarHBondContact O-CG 3.41Å; T126-Q130 PolarHBondContact O-N 3.34Å; T126-Q130 VanDerWaalsContact O-N 3.09Å; T126-D512 WeakPolarHBondContact CA-O 3.34Å; T126-G515 VanDerWaalsContact CG2-CA 3.49Å; T126-E519 PolarHBondContact OG1-OE2 3.27Å
127	K	83	Confident	78.1	Confident	70 Å²	70	58.4 Å²	58.4	30%	0.304	30%	0.297	S	S	.	.	H	α-helix	trans	-67.9	-45.6	177.2	-65.6	168.4	-177.2	147.9	0	112.3	E119 L122 E123 P124 V125 A129 Q130 Q131	E119-K127 WeakPolarHBondContact O-CE 3.42Å; E119-K127 PolarHBondContact O-NZ 3.37Å; L122-K127 HydrophobicContact CB-CG 4.49Å; L122-K127 WeakPolarHBondContact O-CE 3.48Å; L122-K127 PolarHBondContact O-NZ 2.97Å; E123-K127 PolarHBondContact O-N 2.99Å; P124-K127 PolarHBondContact O-N 3.26Å; V125-K127 PolarHBondContact O-N 2.88Å; K127-A129 VanDerWaalsContact C-N 3.35Å; K127-A129 PolarHBondContact O-N 3.49Å; K127-Q130 PolarHBondContact O-N 2.75Å; K127-Q131 WeakPolarHBondContact O-CB 3.42Å; K127-Q131 PolarHBondContact O-N 3.04Å
128	A	88.4	Confident	79.8	Confident	60 Å²	60	62.3 Å²	62.3	50%	0.496	31%	0.312	S	S	.	.	H	α-helix	trans	-59.6	-46.7	178.6	0	0	0	0	0	110.8	P124 V125 Q130 Q131 E132	P124-A128 PolarHBondContact O-N 3Å; V125-A128 PolarHBondContact O-N 2.86Å; V125-A128 VanDerWaalsContact O-N 3.11Å; A128-Q130 PolarHBondContact O-N 2.88Å; A128-Q131 PolarHBondContact O-N 3.26Å; A128-E132 WeakPolarHBondContact O-CB 3.31Å; A128-E132 PolarHBondContact O-N 2.66Å
129	A	88.2	Confident	81.7	Confident	15 Å²	15	61.6 Å²	61.6	12%	0.124	31%	0.309	C	S	.	.	H	α-helix	trans	-61.5	-42.5	177	0	0	0	0	0	112.9	V125 K127 E133 F513	V125-A129 PolarHBondContact O-N 3.28Å; K127-A129 VanDerWaalsContact C-N 3.35Å; K127-A129 PolarHBondContact O-N 3.49Å; A129-E133 PolarHBondContact O-N 3.09Å; A129-F513 HydrophobicContact CB-CB 4.32Å
130	Q	87.6	Confident	83	Confident	37 Å²	37	58.9 Å²	58.9	17%	0.173	30%	0.297	C	S	.	.	H	α-helix	trans	-65.1	-39.5	175.6	-74.3	175.6	12.5	0	0	112.4	T126 K127 A128 L134 F513	T126-Q130 WeakPolarHBondContact O-CB 3.48Å; T126-Q130 VanDerWaalsContact O-CG 3.32Å; T126-Q130 WeakPolarHBondContact O-CG 3.41Å; T126-Q130 PolarHBondContact O-N 3.34Å; T126-Q130 VanDerWaalsContact O-N 3.09Å; K127-Q130 PolarHBondContact O-N 2.75Å; A128-Q130 PolarHBondContact O-N 2.88Å; Q130-L134 VanDerWaalsContact O-CB 3.32Å; Q130-L134 WeakPolarHBondContact O-CB 3.31Å; Q130-L134 PolarHBondContact O-N 3.31Å; Q130-L134 VanDerWaalsContact O-N 3.11Å; Q130-F513 HydrophobicContact CG-CD2 4.11Å; Q130-F513 HydrophobicContact CG-CE2 4.19Å; Q130-F513 WeakPolarHBondContact CG-O 3.35Å; Q130-F513 PolarHBondContact NE2-O 2.83Å
131	Q	89.1	Confident	84.6	Confident	90 Å²	90	58.8 Å²	58.8	42%	0.421	29%	0.293	S	S	.	.	H	α-helix	trans	-68.4	-43.1	176.8	177.6	64.4	17.3	0	0	112	K127 A128 E133 L134 E135	K127-Q131 WeakPolarHBondContact O-CB 3.42Å; K127-Q131 PolarHBondContact O-N 3.04Å; A128-Q131 PolarHBondContact O-N 3.26Å; Q131-E133 VanDerWaalsContact C-N 3.34Å; Q131-E133 PolarHBondContact O-N 3.39Å; Q131-L134 PolarHBondContact O-N 3.39Å; Q131-E135 PolarHBondContact NE2-OE1 2.73Å; Q131-E135 WeakPolarHBondContact O-CG 3.37Å; Q131-E135 PolarHBondContact O-N 3.37Å
132	E	90.3	Very high	85.9	Confident	54 Å²	54	58.9 Å²	58.9	25%	0.252	29%	0.294	S	S	.	.	H	α-helix	trans	-61.8	-41	-178.1	-147.6	-161.5	164.5	0	0	112	A128 R136 F299 R485	A128-E132 WeakPolarHBondContact O-CB 3.31Å; A128-E132 PolarHBondContact O-N 2.66Å; E132-R136 PolarHBondContact O-N 2.8Å; E132-F299 HydrophobicContact CB-CE1 4.47Å; E132-F299 HydrophobicContact CB-CZ 4.3Å; E132-F299 HydrophobicContact CG-CE1 4.17Å; E132-F299 HydrophobicContact CG-CZ 3.75Å; E132-F299 WeakPolarHBondContact OE1-CZ 2.98Å; E132-R485 IonicContact OE1-CZ 3.44Å; E132-R485 IonicContact OE1-NH1 3.69Å; E132-R485 PolarHBondContact OE1-NH1 2.91Å; E132-R485 IonicContact OE1-NH2 2.63Å; E132-R485 IonicContact OE2-CZ 2.73Å; E132-R485 IonicContact OE2-NH1 2.65Å; E132-R485 PolarHBondContact OE2-NH1 3.29Å; E132-R485 IonicContact OE2-NH2 3.78Å; E132-R485 PolarHBondContact OE2-NH2 2.76Å
133	E	89.4	Confident	86.9	Confident	2 Å²	2	60.2 Å²	60.2	1%	0.009	30%	0.3	C	S	.	.	H	α-helix	trans	-71.4	-37.9	174.6	172	62.1	-159.3	0	0	112.1	A129 Q131 E135 R136 R137 R510 F513 F558	A129-E133 PolarHBondContact O-N 3.09Å; Q131-E133 VanDerWaalsContact C-N 3.34Å; Q131-E133 PolarHBondContact O-N 3.39Å; E133-E135 VanDerWaalsContact C-N 3.33Å; E133-E135 PolarHBondContact O-N 2.97Å; E133-R136 WeakPolarHBondContact O-CB 3.49Å; E133-R136 PolarHBondContact O-N 3.48Å; E133-R136 IonicContact OE1-CZ 3.71Å; E133-R136 IonicContact OE1-NE 3.47Å; E133-R136 IonicContact OE1-NH2 3.95Å; E133-R136 PolarHBondContact OE1-NH2 2.84Å; E133-R136 IonicContact OE2-CZ 3.61Å; E133-R136 IonicContact OE2-NE 3.51Å; E133-R136 PolarHBondContact OE2-NE 3.44Å; E133-R136 IonicContact OE2-NH2 2.76Å; E133-R136 PolarHBondContact OE2-NH2 3.23Å; E133-R137 WeakPolarHBondContact O-CG 3.48Å; E133-R137 PolarHBondContact O-N 2.92Å; E133-R137 IonicContact OE1-CZ 3.69Å; E133-R137 IonicContact OE1-NE 3.1Å; E133-R137 PolarHBondContact OE1-NE 2.73Å; E133-R137 IonicContact OE1-NH2 3.36Å; E133-R137 PolarHBondContact OE1-NH2 3.44Å; E133-R510 IonicContact OE2-CZ 3.53Å; E133-R510 IonicContact OE2-NE 2.69Å; E133-R510 PolarHBondContact OE2-NE 3.42Å; E133-R510 IonicContact OE2-NH2 3.61Å; E133-R510 PolarHBondContact OE2-NH2 3.28Å; E133-F513 HydrophobicContact CB-CD2 4.16Å; E133-F513 HydrophobicContact CB-CE2 3.81Å; E133-F513 HydrophobicContact CG-CD2 4.38Å; E133-F513 HydrophobicContact CG-CE2 3.68Å; E133-F513 HydrophobicContact CG-CZ 4.23Å; E133-F558 HydrophobicContact CG-CD1 4.37Å
134	L	89.2	Confident	87.2	Confident	79 Å²	79	58.5 Å²	58.5	41%	0.414	29%	0.289	S	S	.	.	H	α-helix	trans	-63.4	-40.4	174.7	-177.8	151.8	0	0	0	111.3	Q130 Q131 K138	Q130-L134 VanDerWaalsContact O-CB 3.32Å; Q130-L134 WeakPolarHBondContact O-CB 3.31Å; Q130-L134 PolarHBondContact O-N 3.31Å; Q130-L134 VanDerWaalsContact O-N 3.11Å; Q131-L134 PolarHBondContact O-N 3.39Å; L134-K138 HydrophobicContact CD2-CD 3.98Å; L134-K138 WeakPolarHBondContact O-CG 3.31Å; L134-K138 PolarHBondContact O-N 3.34Å; L134-K138 VanDerWaalsContact O-N 3.1Å
135	E	92.1	Very high	87.3	Confident	75 Å²	75	60.4 Å²	60.4	35%	0.35	29%	0.288	S	S	.	.	H	α-helix	trans	-68.6	-34.3	172.4	-69.7	178.5	-165.2	0	0	112.8	Q131 E133 K138 R139	Q131-E135 PolarHBondContact NE2-OE1 2.73Å; Q131-E135 WeakPolarHBondContact O-CG 3.37Å; Q131-E135 PolarHBondContact O-N 3.37Å; E133-E135 VanDerWaalsContact C-N 3.33Å; E133-E135 PolarHBondContact O-N 2.97Å; E135-K138 PolarHBondContact O-N 3.08Å; E135-R139 WeakPolarHBondContact O-CG 3.41Å; E135-R139 PolarHBondContact O-N 3.39Å; E135-R139 IonicContact OE2-NH1 2.67Å; E135-R139 PolarHBondContact OE2-NH1 2.95Å
136	R	92.2	Very high	87.2	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.008	29%	0.289	C	S	.	.	H	α-helix	trans	-60.7	-48	173.3	-170.9	-170.9	68.8	98.5	-2	110.8	E132 E133 K138 R139 L140 D284 N285 E288 F299 G557	E132-R136 PolarHBondContact O-N 2.8Å; E133-R136 WeakPolarHBondContact O-CB 3.49Å; E133-R136 PolarHBondContact O-N 3.48Å; E133-R136 IonicContact OE1-CZ 3.71Å; E133-R136 IonicContact OE1-NE 3.47Å; E133-R136 IonicContact OE1-NH2 3.95Å; E133-R136 PolarHBondContact OE1-NH2 2.84Å; E133-R136 IonicContact OE2-CZ 3.61Å; E133-R136 IonicContact OE2-NE 3.51Å; E133-R136 PolarHBondContact OE2-NE 3.44Å; E133-R136 IonicContact OE2-NH2 2.76Å; E133-R136 PolarHBondContact OE2-NH2 3.23Å; R136-K138 VanDerWaalsContact C-N 3.33Å; R136-K138 PolarHBondContact O-N 3.44Å; R136-R139 VanDerWaalsContact N-NH2 3.15Å; R136-R139 PolarHBondContact O-N 2.87Å; R136-R139 VanDerWaalsContact O-N 3.16Å; R136-L140 PolarHBondContact O-N 2.93Å; R136-D284 PolarHBondContact NH1-O 2.79Å; R136-N285 VanDerWaalsContact CZ-OD1 3.26Å; R136-N285 PolarHBondContact NH1-OD1 3.49Å; R136-N285 VanDerWaalsContact NH1-OD1 3.09Å; R136-N285 PolarHBondContact NH2-OD1 3.45Å; R136-E288 WeakPolarHBondContact CG-OE1 3.39Å; R136-F299 HydrophobicContact CB-CE2 4.07Å; R136-F299 HydrophobicContact CB-CZ 4.43Å; R136-F299 VanDerWaalsContact CD-CD2 3.45Å; R136-F299 HydrophobicContact CG-CD2 4.22Å; R136-F299 HydrophobicContact CG-CE2 3.97Å; R136-G557 PolarHBondContact NH2-O 3.29Å
137	R	87.5	Confident	86.9	Confident	73 Å²	73	65.3 Å²	65.3	28%	0.275	30%	0.303	S	S	.	.	H	α-helix	trans	-60.6	-42.2	176.8	-67.2	-176.1	-163	-172.8	8.8	111.7	E133 R139 L140 E141 L554 E556	E133-R137 WeakPolarHBondContact O-CG 3.48Å; E133-R137 PolarHBondContact O-N 2.92Å; E133-R137 IonicContact OE1-CZ 3.69Å; E133-R137 IonicContact OE1-NE 3.1Å; E133-R137 PolarHBondContact OE1-NE 2.73Å; E133-R137 IonicContact OE1-NH2 3.36Å; E133-R137 PolarHBondContact OE1-NH2 3.44Å; R137-R139 PolarHBondContact O-N 2.86Å; R137-L140 PolarHBondContact O-N 3.26Å; R137-E141 VanDerWaalsContact O-CB 3.26Å; R137-E141 WeakPolarHBondContact O-CB 3.17Å; R137-E141 PolarHBondContact O-N 3Å; R137-L554 PolarHBondContact NH2-O 3.48Å; R137-E556 PolarHBondContact NH1-O 3.43Å; R137-E556 PolarHBondContact NH2-O 3.47Å; R137-E556 VanDerWaalsContact NH2-O 3.1Å
138	K	89.9	Confident	86.1	Confident	125 Å²	125	65.2 Å²	65.2	54%	0.543	32%	0.316	S	S	.	.	H	α-helix	trans	-58.5	-41.9	173.3	-76.1	176.3	175.1	175.2	0	113	L134 E135 R136 E141 Q142	L134-K138 HydrophobicContact CD2-CD 3.98Å; L134-K138 WeakPolarHBondContact O-CG 3.31Å; L134-K138 PolarHBondContact O-N 3.34Å; L134-K138 VanDerWaalsContact O-N 3.1Å; E135-K138 PolarHBondContact O-N 3.08Å; R136-K138 VanDerWaalsContact C-N 3.33Å; R136-K138 PolarHBondContact O-N 3.44Å; K138-E141 PolarHBondContact O-N 3.49Å; K138-Q142 VanDerWaalsContact O-CB 3.31Å; K138-Q142 WeakPolarHBondContact O-CB 3.48Å; K138-Q142 PolarHBondContact O-N 3.39Å
139	R	90.3	Very high	84.8	Confident	79 Å²	79	64.2 Å²	64.2	30%	0.298	31%	0.307	S	S	.	.	H	α-helix	trans	-63.5	-47.7	177.2	-74.3	179.4	-71.8	-97.2	-1.7	112	E135 R136 R137 E141 Q142 Q143 R292	E135-R139 WeakPolarHBondContact O-CG 3.41Å; E135-R139 PolarHBondContact O-N 3.39Å; E135-R139 IonicContact OE2-NH1 2.67Å; E135-R139 PolarHBondContact OE2-NH1 2.95Å; R136-R139 VanDerWaalsContact N-NH2 3.15Å; R136-R139 PolarHBondContact O-N 2.87Å; R136-R139 VanDerWaalsContact O-N 3.16Å; R137-R139 PolarHBondContact O-N 2.86Å; R139-E141 PolarHBondContact O-N 2.88Å; R139-Q142 PolarHBondContact O-N 3.35Å; R139-Q143 WeakPolarHBondContact O-CG 3.16Å; R139-Q143 PolarHBondContact O-N 2.89Å; R139-R292 VanDerWaalsContact NE-NH1 3.17Å
140	L	86.5	Confident	83.1	Confident	14 Å²	14	69.4 Å²	69.4	7%	0.073	34%	0.34	C	S	.	.	H	α-helix	trans	-65.4	-36.6	176.3	-65.1	174.3	0	0	0	112.7	R136 R137 R144 D284 E288	R136-L140 PolarHBondContact O-N 2.93Å; R137-L140 PolarHBondContact O-N 3.26Å; L140-R144 WeakPolarHBondContact O-CB 3.41Å; L140-R144 WeakPolarHBondContact O-CD 3.45Å; L140-R144 VanDerWaalsContact O-CG 3.23Å; L140-R144 WeakPolarHBondContact O-CG 3.47Å; L140-R144 PolarHBondContact O-N 2.85Å; L140-D284 HydrophobicContact CD1-CB 4.35Å; L140-D284 WeakPolarHBondContact CD1-O 3.29Å; L140-E288 HydrophobicContact CD2-CB 4.36Å; L140-E288 HydrophobicContact CD2-CG 4.27Å
141	E	86	Confident	81.4	Confident	98 Å²	98	71 Å²	71	46%	0.458	35%	0.349	S	S	.	.	H	α-helix	trans	-67.9	-36.8	175.4	-168.5	-171.5	158.3	0	0	111.6	R137 K138 R139 K145	R137-E141 VanDerWaalsContact O-CB 3.26Å; R137-E141 WeakPolarHBondContact O-CB 3.17Å; R137-E141 PolarHBondContact O-N 3Å; K138-E141 PolarHBondContact O-N 3.49Å; R139-E141 PolarHBondContact O-N 2.88Å; E141-K145 WeakPolarHBondContact O-CG 3.13Å; E141-K145 PolarHBondContact O-N 3.14Å; E141-K145 WeakPolarHBondContact OE1-CE 3.45Å; E141-K145 IonicContact OE1-NZ 3.35Å; E141-K145 PolarHBondContact OE1-NZ 3.14Å
142	Q	86.2	Confident	79.2	Confident	88 Å²	88	70.7 Å²	70.7	41%	0.411	35%	0.354	S	S	.	.	H	α-helix	trans	-68.5	-47.6	175.3	-169.9	65.1	16.3	0	0	111.2	K138 R139 R144 K145 E146	K138-Q142 VanDerWaalsContact O-CB 3.31Å; K138-Q142 WeakPolarHBondContact O-CB 3.48Å; K138-Q142 PolarHBondContact O-N 3.39Å; R139-Q142 PolarHBondContact O-N 3.35Å; Q142-R144 VanDerWaalsContact C-N 3.28Å; Q142-R144 PolarHBondContact O-N 2.63Å; Q142-K145 WeakPolarHBondContact O-CA 3.49Å; Q142-K145 WeakPolarHBondContact O-CB 3.31Å; Q142-K145 PolarHBondContact O-N 2.65Å; Q142-E146 HydrophobicContact CG-CG 4.3Å; Q142-E146 WeakPolarHBondContact CG-OE1 3.5Å; Q142-E146 PolarHBondContact NE2-OE1 3.31Å; Q142-E146 PolarHBondContact O-N 3.05Å
143	Q	83.8	Confident	76.7	Confident	32 Å²	32	74.1 Å²	74.1	15%	0.15	38%	0.379	C	S	.	.	H	α-helix	trans	-55	-42	173.5	-77.8	175.2	-37.7	0	0	112.4	R139 K145 E146 Y147 N253	R139-Q143 WeakPolarHBondContact O-CG 3.16Å; R139-Q143 PolarHBondContact O-N 2.89Å; Q143-K145 PolarHBondContact O-N 3.5Å; Q143-E146 PolarHBondContact O-N 3.4Å; Q143-Y147 HydrophobicContact CB-CD2 4.34Å; Q143-Y147 HydrophobicContact CG-CD2 4.36Å; Q143-Y147 WeakPolarHBondContact O-CA 3.21Å; Q143-Y147 WeakPolarHBondContact O-CB 3.31Å; Q143-Y147 PolarHBondContact O-N 2.61Å; Q143-N253 HydrophobicContact CB-CB 4.4Å
144	R	82.6	Confident	74.4	Confident	70 Å²	70	78.2 Å²	78.2	26%	0.264	40%	0.404	S	S	.	.	H	α-helix	trans	-67.1	-16.9	175.1	-73.8	170	-173	-177.6	4.7	114.5	L140 Q142 N253 D284	L140-R144 WeakPolarHBondContact O-CB 3.41Å; L140-R144 WeakPolarHBondContact O-CD 3.45Å; L140-R144 VanDerWaalsContact O-CG 3.23Å; L140-R144 WeakPolarHBondContact O-CG 3.47Å; L140-R144 PolarHBondContact O-N 2.85Å; Q142-R144 VanDerWaalsContact C-N 3.28Å; Q142-R144 PolarHBondContact O-N 2.63Å; R144-N253 HydrophobicContact CG-CB 4.23Å; R144-D284 IonicContact NH2-OD2 3.21Å; R144-D284 PolarHBondContact NH2-OD2 3.07Å
145	K	83	Confident	71.8	Confident	130 Å²	130	78.2 Å²	78.2	57%	0.565	41%	0.409	S	S	*	.	H	α-helix	trans	-96	-34.4	175.5	-71.5	169	-173.9	170	0	112.6	E141 Q142 Q143	E141-K145 WeakPolarHBondContact O-CG 3.13Å; E141-K145 PolarHBondContact O-N 3.14Å; E141-K145 WeakPolarHBondContact OE1-CE 3.45Å; E141-K145 IonicContact OE1-NZ 3.35Å; E141-K145 PolarHBondContact OE1-NZ 3.14Å; Q142-K145 WeakPolarHBondContact O-CA 3.49Å; Q142-K145 WeakPolarHBondContact O-CB 3.31Å; Q142-K145 PolarHBondContact O-N 2.65Å; Q143-K145 PolarHBondContact O-N 3.5Å
146	E	82.3	Confident	69.4	Low	104 Å²	104	81.7 Å²	81.7	49%	0.486	43%	0.429	S	S	.	.	H	α-helix	trans	-81.8	-39.6	-179.9	-70	171.9	163	0	0	112.2	Q142 Q143	Q142-E146 HydrophobicContact CG-CG 4.3Å; Q142-E146 WeakPolarHBondContact CG-OE1 3.5Å; Q142-E146 PolarHBondContact NE2-OE1 3.31Å; Q142-E146 PolarHBondContact O-N 3.05Å; Q143-E146 PolarHBondContact O-N 3.4Å
147	Y	77.6	Confident	67	Low	74 Å²	74	90.1 Å²	90.1	29%	0.29	47%	0.469	S	S	.	.	S	Bend	trans	-123.6	38.5	-169.3	-45.5	-61.7	0	0	0	112.2	Q143 A149 N253 H254 P255 P256	Q143-Y147 HydrophobicContact CB-CD2 4.34Å; Q143-Y147 HydrophobicContact CG-CD2 4.36Å; Q143-Y147 WeakPolarHBondContact O-CA 3.21Å; Q143-Y147 WeakPolarHBondContact O-CB 3.31Å; Q143-Y147 PolarHBondContact O-N 2.61Å; Y147-A149 PolarHBondContact O-N 2.84Å; Y147-N253 WeakPolarHBondContact O-CA 3.19Å; Y147-H254 WeakPolarHBondContact CB-O 3.48Å; Y147-P255 HydrophobicContact CD2-CG 4.37Å; Y147-P255 HydrophobicContact CE1-CB 4.39Å; Y147-P255 HydrophobicContact CE2-CB 4.03Å; Y147-P255 HydrophobicContact CE2-CG 3.91Å; Y147-P256 HydrophobicContact CE1-CG 4.38Å
148	A	65.6	Low	64.9	Low	69 Å²	69	94.4 Å²	94.4	57%	0.57	49%	0.489	S	S	*	.			trans	-62.2	96.3	178	0	0	0	0	0	111.1
149	A	61	Low	62.4	Low	38 Å²	38	92.6 Å²	92.6	31%	0.314	49%	0.485	S	S	.	.			trans	-62.9	139.3	176.6	0	0	0	0	0	110.7	Y147 I151 L252	Y147-A149 PolarHBondContact O-N 2.84Å; A149-I151 PolarHBondContact O-N 2.85Å; A149-L252 WeakPolarHBondContact CB-O 3.15Å
150	P	52.8	Low	60	Low	125 Å²	125	92.5 Å²	92.5	81%	0.812	50%	0.495	S	S	*	.			trans	-65.2	102.5	175.5	26.8	-33.5	0	0	0	109.6
151	I	51.5	Low	57.8	Low	71 Å²	71	99.1 Å²	99.1	36%	0.364	53%	0.526	S	S	.	.			trans	-64.3	130.5	-178.9	-53.3	-179.1	0	0	0	108.6	A149 T153 L239	A149-I151 PolarHBondContact O-N 2.85Å; I151-T153 VanDerWaalsContact C-N 3.34Å; I151-T153 PolarHBondContact O-N 2.81Å; I151-L239 HydrophobicContact CD1-CD1 4.19Å; I151-L239 HydrophobicContact CD1-CD2 3.99Å; I151-L239 HydrophobicContact CD1-CG 4.46Å; I151-L239 HydrophobicContact CG2-CD2 4.14Å
152	P	43.5	Very low	55.9	Low	82 Å²	82	102 Å²	102	53%	0.532	54%	0.539	S	S	.	.			trans	-67.5	86.9	174.9	-21.2	34.2	0	0	0	112	V154	P152-V154 PolarHBondContact O-N 3.42Å
153	T	38.4	Very low	54.1	Low	127 Å²	127	103 Å²	103	78%	0.779	55%	0.546	S	S	*	.			trans	-67.8	94.1	165	20.2	0	0	0	0	109.1	I151 P155	I151-T153 VanDerWaalsContact C-N 3.34Å; I151-T153 PolarHBondContact O-N 2.81Å; T153-P155 WeakPolarHBondContact O-CD 3.29Å
154	V	40.6	Very low	52.1	Low	88 Å²	88	105.4 Å²	105.4	53%	0.533	56%	0.563	S	S	.	*			trans	-59.4	124.9	173.7	-178.3	0	0	0	0	108.6	P152 F158	P152-V154 PolarHBondContact O-N 3.42Å; V154-F158 HydrophobicContact CG1-CB 3.79Å
155	P	34.6	Very low	50.1	Low	78 Å²	78	108.1 Å²	108.1	51%	0.506	58%	0.582	S	S	.	*			trans	-57.6	140.8	175.1	-25	34.9	0	0	0	111.2	T153 E157 F158	T153-P155 WeakPolarHBondContact O-CD 3.29Å; P155-E157 PolarHBondContact O-N 2.84Å; P155-F158 PolarHBondContact O-N 3.24Å
156	L	41	Very low	48.1	Very low	148 Å²	148	112.5 Å²	112.5	78%	0.775	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-54.5	-25.2	-174.7	-161.1	73	0	0	0	113.4	F158 L159	L156-F158 PolarHBondContact O-N 2.9Å; L156-L159 HydrophobicContact CD1-CD1 3.72Å; L156-L159 HydrophobicContact CG-CD1 4.4Å; L156-L159 PolarHBondContact O-N 3.39Å
157	E	41.8	Very low	46	Very low	180 Å²	180	111.3 Å²	111.3	84%	0.841	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-64.8	-13.4	177.9	-57.3	179.8	173.8	0	0	114.6	P155	P155-E157 PolarHBondContact O-N 2.84Å
158	F	44.2	Very low	44.1	Very low	162 Å²	162	111.8 Å²	111.8	71%	0.711	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-102.1	6.7	179.1	-80	-88.4	0	0	0	114.7	V154 P155 L156	V154-F158 HydrophobicContact CG1-CB 3.79Å; P155-F158 PolarHBondContact O-N 3.24Å; L156-F158 PolarHBondContact O-N 2.9Å
159	L	37.2	Very low	42.7	Very low	88 Å²	88	117 Å²	117	46%	0.461	64%	0.635	S	S	.	*	S	Bend	trans	-74	133.7	172.6	-68.3	177.5	0	0	0	111.3	L156 E161	L156-L159 HydrophobicContact CD1-CD1 3.72Å; L156-L159 HydrophobicContact CG-CD1 4.4Å; L156-L159 PolarHBondContact O-N 3.39Å; L159-E161 PolarHBondContact O-N 3.14Å
160	P	39.1	Very low	41.5	Very low	77 Å²	77	117.3 Å²	117.3	50%	0.5	64%	0.642	S	S	.	*			trans	-59	129.1	175	-25.2	34.1	0	0	0	112.8	E162 I163	P160-E162 PolarHBondContact O-N 2.63Å; P160-I163 HydrophobicContact CB-CD1 4.47Å; P160-I163 HydrophobicContact CG-CD1 4.37Å; P160-I163 PolarHBondContact O-N 3.37Å
161	E	40.9	Very low	40.8	Very low	153 Å²	153	116.8 Å²	116.8	72%	0.715	64%	0.639	S	S	*	*	H	α-helix	trans	-54.3	-32.6	-175.7	-66.4	-173.3	120.3	0	0	113.6	L159 I163 V164 L165	L159-E161 PolarHBondContact O-N 3.14Å; E161-I163 PolarHBondContact O-N 3.4Å; E161-V164 PolarHBondContact O-N 3.28Å; E161-L165 HydrophobicContact CB-CD1 4.42Å; E161-L165 WeakPolarHBondContact O-CB 3.33Å; E161-L165 WeakPolarHBondContact O-CG 3.18Å; E161-L165 PolarHBondContact O-N 2.76Å
162	E	46.1	Very low	39.7	Very low	157 Å²	157	122.8 Å²	122.8	73%	0.734	67%	0.666	S	S	*	*	H	α-helix	trans	-59.1	-30.1	178.4	-65.6	-165.3	110.2	0	0	113.5	P160 R166	P160-E162 PolarHBondContact O-N 2.63Å; E162-R166 WeakPolarHBondContact O-CG 3.46Å; E162-R166 PolarHBondContact O-N 3.17Å
163	I	48.3	Very low	39.3	Very low	110 Å²	110	126.8 Å²	126.8	56%	0.564	68%	0.681	S	S	*	*	H	α-helix	trans	-74.7	-42.8	178.9	-58	179.6	0	0	0	110	P160 E161 R166 A167	P160-I163 HydrophobicContact CB-CD1 4.47Å; P160-I163 HydrophobicContact CG-CD1 4.37Å; P160-I163 PolarHBondContact O-N 3.37Å; E161-I163 PolarHBondContact O-N 3.4Å; I163-R166 PolarHBondContact O-N 3.07Å; I163-A167 PolarHBondContact O-N 2.85Å
164	V	41.8	Very low	38.9	Very low	82 Å²	82	125.9 Å²	125.9	50%	0.497	68%	0.678	S	S	.	*	H	α-helix	trans	-67.7	-42.1	-179.5	-175.3	0	0	0	0	111.2	E161 R166 A167 S168	E161-V164 PolarHBondContact O-N 3.28Å; V164-R166 VanDerWaalsContact C-N 3.29Å; V164-R166 PolarHBondContact O-N 2.94Å; V164-A167 PolarHBondContact O-N 2.79Å; V164-S168 PolarHBondContact O-OG 3.35Å
165	L	39.9	Very low	38.4	Very low	128 Å²	128	127.9 Å²	127.9	67%	0.67	69%	0.693	S	S	*	*	H	α-helix	trans	-68.9	-23.4	-179.5	-70.6	169.5	0	0	0	113.5	E161	E161-L165 HydrophobicContact CB-CD1 4.42Å; E161-L165 WeakPolarHBondContact O-CB 3.33Å; E161-L165 WeakPolarHBondContact O-CG 3.18Å; E161-L165 PolarHBondContact O-N 2.76Å
166	R	41.1	Very low	38.3	Very low	221 Å²	221	135.3 Å²	135.3	83%	0.834	71%	0.711	S	S	*	*	H	α-helix	trans	-87.8	-21.8	176.3	-68.3	-70.8	-177.9	158.4	2.1	113.9	E162 I163 V164 S168	E162-R166 WeakPolarHBondContact O-CG 3.46Å; E162-R166 PolarHBondContact O-N 3.17Å; I163-R166 PolarHBondContact O-N 3.07Å; V164-R166 VanDerWaalsContact C-N 3.29Å; V164-R166 PolarHBondContact O-N 2.94Å; R166-S168 VanDerWaalsContact C-N 3.32Å
167	A	39.4	Very low	37.8	Very low	79 Å²	79	135.3 Å²	135.3	65%	0.653	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-4.6	179.2	0	0	0	0	0	114.3	I163 V164 D169	I163-A167 PolarHBondContact O-N 2.85Å; V164-A167 PolarHBondContact O-N 2.79Å; A167-D169 PolarHBondContact O-N 2.8Å
168	S	37.2	Very low	37.1	Very low	84 Å²	84	134.9 Å²	134.9	59%	0.587	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	-9.6	-169.2	-67.4	0	0	0	0	115.7	V164 R166 G170	V164-S168 PolarHBondContact O-OG 3.35Å; R166-S168 VanDerWaalsContact C-N 3.32Å; S168-G170 PolarHBondContact O-N 3.27Å; S168-G170 VanDerWaalsContact O-N 3.08Å
169	D	35.8	Very low	36.4	Very low	178 Å²	178	131.5 Å²	131.5	95%	0.952	72%	0.721	S	S	*	*	S	Bend	trans	-84.7	59.5	173.2	-84.4	-43.2	0	0	0	111.7	A167	A167-D169 PolarHBondContact O-N 2.8Å
170	G	37.4	Very low	36.1	Very low	45 Å²	45	135.2 Å²	135.2	46%	0.464	74%	0.736	S	S	.	*	S	Bend	trans	-149.9	161.3	176.9	0	0	0	0	0	112.6	S168 Q172	S168-G170 PolarHBondContact O-N 3.27Å; S168-G170 VanDerWaalsContact O-N 3.08Å; G170-Q172 PolarHBondContact O-N 3.05Å
171	P	36.2	Very low	35.7	Very low	115 Å²	115	139.1 Å²	139.1	75%	0.747	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-63.1	135.7	179.2	-20.8	33.6	0	0	0	112.1	L173	P171-L173 PolarHBondContact O-N 2.78Å
172	Q	30.3	Very low	35.2	Very low	197 Å²	197	138 Å²	138	92%	0.921	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-63.1	130.5	-174.2	-66.4	174.6	-15.1	0	0	112.9	G170	G170-Q172 PolarHBondContact O-N 3.05Å
173	L	33.2	Very low	34.6	Very low	165 Å²	165	137.8 Å²	137.8	86%	0.864	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-99.5	142.8	160	-81.1	161.2	0	0	0	109.5	P171	P171-L173 PolarHBondContact O-N 2.78Å
174	P	31.7	Very low	33.6	Very low	109 Å²	109	137.3 Å²	137.3	71%	0.708	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-82.2	145.5	-172.2	32.2	-35.2	0	0	0	113.2	R176	P174-R176 PolarHBondContact O-N 2.77Å
175	P	30.3	Very low	33.3	Very low	130 Å²	130	141.2 Å²	141.2	84%	0.844	78%	0.776	S	S	*	*			trans	-84.9	92.5	-176.9	32.9	-34.8	0	0	0	112.6
176	R	31.1	Very low	32.7	Very low	234 Å²	234	142.7 Å²	142.7	88%	0.883	78%	0.784	S	S	*	*			trans	-151.1	104.7	166.7	-73.4	-169.8	174.4	179.2	-3	112.3	P174	P174-R176 PolarHBondContact O-N 2.77Å
177	V	31.3	Very low	32.4	Very low	147 Å²	147	138.1 Å²	138.1	89%	0.891	79%	0.786	S	S	*	*				-160.8	111.6	112.6	173.6	0	0	0	0	106.3
178	L	27.1	Very low	32	Very low	171 Å²	171	139.8 Å²	139.8	90%	0.895	79%	0.793	S	S	*	*			trans	-153.2	128.9	168.8	-126.7	172.6	0	0	0	107.9
179	A	28.3	Very low	31.8	Very low	91 Å²	91	141.6 Å²	141.6	75%	0.752	81%	0.806	S	S	*	*			trans	64.4	110.6	-172.1	0	0	0	0	0	117
180	Q	31.9	Very low	31.5	Very low	167 Å²	167	135.8 Å²	135.8	78%	0.78	79%	0.788	S	S	*	*			trans	-145.2	95.5	138.5	-163.1	92.5	55.5	0	0	109.7
181	E	31.1	Very low	31.3	Very low	158 Å²	158	139 Å²	139	74%	0.738	80%	0.803	S	S	*	*			trans	40.3	118.9	143.9	-62.4	170.1	131.2	0	0	121.5
182	V	29.6	Very low	31.1	Very low	130 Å²	130	141.9 Å²	141.9	79%	0.788	81%	0.807	S	S	*	*			trans	-67.7	135.1	163.6	174.1	0	0	0	0	111	C184	V182-C184 WeakPolarHBondContact CG1-SG 3.35Å
183	I	33.3	Very low	31.2	Very low	152 Å²	152	139.5 Å²	139.5	78%	0.779	80%	0.8	S	S	*	*			trans	-122.3	104.3	163	-58.8	180	0	0	0	108.9
184	C	28.5	Very low	31.1	Very low	100 Å²	100	137.7 Å²	137.7	68%	0.676	79%	0.787	S	S	*	*			trans	-90.1	139.6	169.7	-62.9	0	0	0	0	110.5	V182	V182-C184 WeakPolarHBondContact CG1-SG 3.35Å
185	L	34.2	Very low	31	Very low	165 Å²	165	140.1 Å²	140.1	86%	0.864	79%	0.787	S	S	*	*			trans	-134.9	85.4	166.7	-83.9	173	0	0	0	110.1
186	D	27.3	Very low	31	Very low	158 Å²	158	139.2 Å²	139.2	85%	0.845	78%	0.784	S	S	*	*			trans	-70.3	132	162.7	-83.7	-49.3	0	0	0	110.4
187	S	36	Very low	30.8	Very low	126 Å²	126	132.9 Å²	132.9	88%	0.881	78%	0.775	S	S	*	*			trans	-157.4	138	155.7	-82.1	0	0	0	0	110.6
188	S	30.8	Very low	30.9	Very low	114 Å²	114	137.1 Å²	137.1	80%	0.797	78%	0.775	S	S	*	*			trans	-98.2	171.4	-153.9	56.6	0	0	0	0	116.4
189	S	32.8	Very low	31.1	Very low	122 Å²	122	136.3 Å²	136.3	85%	0.853	77%	0.771	S	S	*	*			trans	76.4	119.2	150.2	-172.5	0	0	0	0	116.6
190	G	28.5	Very low	31.4	Very low	56 Å²	56	140.9 Å²	140.9	58%	0.577	78%	0.778	S	S	*	*			cis	137.3	162.9	38.8	0	0	0	0	0	108.5
191	S	33.7	Very low	31.4	Very low	111 Å²	111	139.2 Å²	139.2	78%	0.776	78%	0.778	S	S	*	*			trans	61.4	127.9	-173.8	40.1	0	0	0	0	115.3
192	E	31.1	Very low	31.7	Very low	177 Å²	177	138.5 Å²	138.5	83%	0.827	78%	0.778	S	S	*	*				61.9	115.6	62.2	-58.9	177.2	158.4	0	0	109.8
193	D	32.6	Very low	31.7	Very low	147 Å²	147	140.6 Å²	140.6	79%	0.786	78%	0.779	S	S	*	*				-165.2	165	58.9	-116.6	-33	0	0	0	115.7
194	E	31.6	Very low	31.9	Very low	127 Å²	127	141.3 Å²	141.3	59%	0.593	78%	0.784	S	S	*	*			trans	36.1	122.7	146.8	-69.7	-78.3	82.4	0	0	125.1
195	K	30.4	Very low	32.1	Very low	160 Å²	160	141.8 Å²	141.8	70%	0.696	79%	0.788	S	S	*	*			trans	36.1	123.3	133.1	-61	-177.7	-177.4	76.1	0	121.1
196	S	28.7	Very low	32	Very low	111 Å²	111	139.7 Å²	139.7	78%	0.776	79%	0.788	S	S	*	*				161.3	147.3	89.3	53.4	0	0	0	0	115.9
197	S	28.4	Very low	32.2	Very low	101 Å²	101	135.3 Å²	135.3	71%	0.706	78%	0.78	S	S	*	*			trans	-5	134.8	162.6	59.3	0	0	0	0	121.2
198	R	33.8	Very low	32.4	Very low	236 Å²	236	138.7 Å²	138.7	89%	0.891	78%	0.782	S	S	*	*				-170.1	160.1	100.5	-103.1	169.3	-173.5	-179.7	2.1	113.6
199	D	29.8	Very low	32.6	Very low	153 Å²	153	142.5 Å²	142.5	82%	0.818	79%	0.787	S	S	*	*			trans	-74.7	134.9	175.6	-40.1	-101.4	0	0	0	111.5
200	E	36.1	Very low	32.7	Very low	188 Å²	188	143.5 Å²	143.5	88%	0.879	78%	0.783	S	S	*	*			trans	-131.3	126.7	154.1	-73.9	-159.8	149.7	0	0	110.1
201	V	31.9	Very low	32.9	Very low	132 Å²	132	146 Å²	146	80%	0.8	79%	0.787	S	S	*	*			trans	-84	125.9	176.5	173.7	0	0	0	0	108.6	E203	V201-E203 HydrophobicContact CG1-CG 4.31Å
202	I	36.2	Very low	32.8	Very low	143 Å²	143	147.4 Å²	147.4	73%	0.733	79%	0.785	S	S	*	*			trans	-111.8	89	171.4	-57.1	-179	0	0	0	108.9	L204	I202-L204 HydrophobicContact CG2-CD1 4.11Å; I202-L204 HydrophobicContact CG2-CG 3.91Å
203	E	30.6	Very low	32.7	Very low	174 Å²	174	146.1 Å²	146.1	81%	0.813	78%	0.778	S	S	*	*			trans	-73.8	129.7	153.9	-68.5	-169	137.9	0	0	108.5	V201	V201-E203 HydrophobicContact CG1-CG 4.31Å
204	L	36.8	Very low	32.7	Very low	167 Å²	167	147.3 Å²	147.3	87%	0.874	78%	0.783	S	S	*	*			trans	-129.1	122.7	161.5	-75.8	175.9	0	0	0	108.9	I202	I202-L204 HydrophobicContact CG2-CD1 4.11Å; I202-L204 HydrophobicContact CG2-CG 3.91Å
205	S	32.2	Very low	32.7	Very low	110 Å²	110	146.4 Å²	146.4	77%	0.769	79%	0.786	S	S	*	*			trans	-134.8	136.9	-167.7	179.1	0	0	0	0	110.9
206	S	33	Very low	32.7	Very low	121 Å²	121	146.1 Å²	146.1	85%	0.846	79%	0.792	S	S	*	*			trans	66.4	138.3	157.9	-170.3	0	0	0	0	118.9
207	G	30.7	Very low	33	Very low	66 Å²	66	145.7 Å²	145.7	68%	0.68	79%	0.789	S	S	*	*			trans	102.2	147.4	176.6	0	0	0	0	0	112.8
208	E	40.8	Very low	33.1	Very low	197 Å²	197	145.5 Å²	145.5	92%	0.921	79%	0.788	S	S	*	*			cis	-144.3	152.1	-1.2	-60	-178.1	-111.6	0	0	109.2
209	E	35	Very low	32.8	Very low	193 Å²	193	143.1 Å²	143.1	90%	0.902	79%	0.787	S	S	*	*			trans	-89.9	123.8	161.6	-69.7	-177	119.8	0	0	108.3
210	D	34.6	Very low	32.9	Very low	144 Å²	144	140.7 Å²	140.7	77%	0.77	78%	0.782	S	S	*	*				-167.6	159.2	111.4	-133.9	-37.2	0	0	0	114.1
211	T	32.2	Very low	32.6	Very low	108 Å²	108	138.5 Å²	138.5	66%	0.663	78%	0.781	S	S	*	*			trans	-13.5	137	152.8	-55.2	0	0	0	0	117.9
212	L	31.8	Very low	32.6	Very low	141 Å²	141	137.1 Å²	137.1	74%	0.738	78%	0.777	S	S	*	*				-175.4	155.8	118.2	-97.2	176.8	0	0	0	115.5
213	H	29.7	Very low	32.6	Very low	149 Å²	149	138.3 Å²	138.3	69%	0.69	78%	0.78	S	S	*	*			trans	47.9	94.6	161.9	-74.6	-62.5	0	0	0	121.4	V215	H213-V215 HydrophobicContact CB-CG2 4.29Å
214	I	31.6	Very low	32.8	Very low	172 Å²	172	138.6 Å²	138.6	88%	0.882	78%	0.781	S	S	*	*			trans	-65.6	129.8	137.7	-60.7	169.3	0	0	0	107.9
215	V	33.2	Very low	32.9	Very low	108 Å²	108	137.1 Å²	137.1	66%	0.655	77%	0.774	S	S	*	*			trans	-119.6	132	165.9	179.2	0	0	0	0	108	H213 S217	H213-V215 HydrophobicContact CB-CG2 4.29Å; V215-S217 PolarHBondContact O-N 2.81Å
216	D	29.5	Very low	33.3	Very low	154 Å²	154	140.1 Å²	140.1	82%	0.824	78%	0.776	S	S	*	*			trans	-70.8	120.7	-179.3	-161.4	5.5	0	0	0	109.5
217	S	34.8	Very low	33.4	Very low	102 Å²	102	138.9 Å²	138.9	71%	0.713	76%	0.756	S	S	*	*			trans	-152.4	90.3	179.4	-74.7	0	0	0	0	109.7	V215	V215-S217 PolarHBondContact O-N 2.81Å
218	S	30	Very low	33.8	Very low	97 Å²	97	142 Å²	142	68%	0.678	75%	0.753	S	S	*	*			trans	-63.6	165.6	168	47	0	0	0	0	112.6
219	E	28.9	Very low	33.7	Very low	186 Å²	186	140.1 Å²	140.1	87%	0.869	74%	0.744	S	S	*	*			trans	79.4	82.2	169.2	-52.3	-178.2	174.7	0	0	116.7
220	S	30.8	Very low	34.1	Very low	102 Å²	102	138.3 Å²	138.3	71%	0.713	73%	0.734	S	S	*	*			trans	-169.4	41.5	158.1	26.1	0	0	0	0	113.2	S222	S220-S222 PolarHBondContact O-N 3.44Å
221	V	30.9	Very low	34.8	Very low	143 Å²	143	132.5 Å²	132.5	87%	0.867	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	70.5	-176.5	-168.4	0	0	0	0	111.2
222	S	32.6	Very low	36	Very low	102 Å²	102	127.9 Å²	127.9	71%	0.713	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156.1	-1.9	179.2	54.2	0	0	0	0	117.5	S220	S220-S222 PolarHBondContact O-N 3.44Å
223	E	36	Very low	37.5	Very low	169 Å²	169	122.6 Å²	122.6	79%	0.79	66%	0.655	S	S	*	*	S	Bend	trans	-122.5	8.1	-172.4	-65	179.2	-173.6	0	0	114
224	E	33.7	Very low	39.9	Very low	179 Å²	179	116.1 Å²	116.1	84%	0.836	63%	0.625	S	S	*	*	S	Bend	trans	-82.6	-13.3	-173.2	-62.6	-158.4	131.6	0	0	115.3
225	D	38.5	Very low	42.1	Very low	136 Å²	136	110.4 Å²	110.4	73%	0.727	60%	0.598	S	S	*	*	S	Bend	trans	-89.3	-15.7	-171.2	-75	-45.4	0	0	0	114.7	E227	D225-E227 VanDerWaalsContact C-N 3.27Å; D225-E227 PolarHBondContact O-N 3.49Å
226	E	40.2	Very low	44.5	Very low	174 Å²	174	108.2 Å²	108.2	81%	0.813	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-73.4	-11.7	-173.6	-62.6	-164.7	158.9	0	0	114.4	E228	E226-E228 VanDerWaalsContact C-N 3.35Å; E226-E228 PolarHBondContact O-N 2.63Å
227	E	35.6	Very low	47.2	Very low	94 Å²	94	102.8 Å²	102.8	44%	0.439	55%	0.554	S	S	.	*	G	3₁₀ helix	trans	-85.4	6.1	-177.6	-112.7	-164.9	-125.5	0	0	115.5	D225 E229 K230 K962	D225-E227 VanDerWaalsContact C-N 3.27Å; D225-E227 PolarHBondContact O-N 3.49Å; E227-E229 PolarHBondContact O-N 3.38Å; E227-K230 IonicContact OE2-NZ 2.8Å; E227-K230 PolarHBondContact OE2-NZ 3.41Å; E227-K962 WeakPolarHBondContact OE1-CE 3.44Å; E227-K962 IonicContact OE1-NZ 2.71Å; E227-K962 PolarHBondContact OE1-NZ 3.16Å; E227-K962 WeakPolarHBondContact OE2-CE 3.43Å; E227-K962 IonicContact OE2-NZ 2.8Å; E227-K962 PolarHBondContact OE2-NZ 3.45Å
228	E	38.5	Very low	49.6	Very low	132 Å²	132	101.2 Å²	101.2	62%	0.617	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-73.3	-3.8	176.3	-61.7	-154	147.7	0	0	113.8	E226 K230 G231 K959	E226-E228 VanDerWaalsContact C-N 3.35Å; E226-E228 PolarHBondContact O-N 2.63Å; E228-K230 PolarHBondContact O-N 3.38Å; E228-G231 PolarHBondContact O-N 3.18Å; E228-K959 IonicContact OE1-NZ 2.93Å; E228-K959 PolarHBondContact OE1-NZ 3.18Å
229	E	38.9	Very low	52.1	Low	157 Å²	157	98.5 Å²	98.5	73%	0.734	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-62.5	-2.9	174.7	-70.1	-149.6	126.3	0	0	116.1	E227 G231	E227-E229 PolarHBondContact O-N 3.38Å; E229-G231 PolarHBondContact O-N 2.91Å
230	K	43.7	Very low	55	Low	156 Å²	156	89.6 Å²	89.6	68%	0.678	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-73.8	-15.4	177.3	-75.2	163	-173.6	162.3	0	113.5	E227 E228 G232	E227-K230 IonicContact OE2-NZ 2.8Å; E227-K230 PolarHBondContact OE2-NZ 3.41Å; E228-K230 PolarHBondContact O-N 3.38Å; K230-G232 PolarHBondContact O-N 3.06Å
231	G	49.1	Very low	57.7	Low	21 Å²	21	88.9 Å²	88.9	22%	0.216	47%	0.468	C	S	.	.	S	Bend	trans	-64.2	124.2	162.4	0	0	0	0	0	109.7	E228 E229	E228-G231 PolarHBondContact O-N 3.18Å; E229-G231 PolarHBondContact O-N 2.91Å
232	G	58.1	Low	60.4	Low	12 Å²	12	85.1 Å²	85.1	12%	0.124	44%	0.441	C	S	.	.			trans	-54.5	157.2	-174.5	0	0	0	0	0	113.5	K230 H234 V235	K230-G232 PolarHBondContact O-N 3.06Å; G232-H234 PolarHBondContact O-N 3.41Å; G232-V235 WeakPolarHBondContact O-CB 3.26Å; G232-V235 PolarHBondContact O-N 2.94Å
233	T	64.1	Low	63	Low	29 Å²	29	82 Å²	82	18%	0.178	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-28.7	-176	48.2	0	0	0	0	114.4	V235 L239 N240	T233-V235 VanDerWaalsContact C-N 3.28Å; T233-V235 PolarHBondContact O-N 3.47Å; T233-L239 HydrophobicContact CG2-CD1 4.26Å; T233-N240 PolarHBondContact O-ND2 3.03Å
234	H	78.8	Confident	65.4	Low	14 Å²	14	79 Å²	79	7%	0.065	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-5.3	173.6	55.9	-118.9	0	0	0	116.3	G232 G277 R280 F281 D284 Q560	G232-H234 PolarHBondContact O-N 3.41Å; H234-G277 WeakPolarHBondContact CB-O 3.23Å; H234-G277 CarbonylContact O-C 3.47Å; H234-G277 WeakPolarHBondContact O-CA 3.36Å; H234-R280 HydrophobicContact CB-CB 4.1Å; H234-F281 HydrophobicContact CB-CB 4.03Å; H234-F281 AromaticContact CE1-CD2 4Å; H234-F281 AromaticContact NE2-CD2 3.75Å; H234-D284 IonicContact CE1-OD2 2.74Å; H234-D284 PolarHBondContact CE1-OD2 3.09Å; H234-D284 IonicContact ND1-OD2 2.66Å; H234-D284 PolarHBondContact ND1-OD2 3.45Å; H234-Q560 PolarHBondContact O-NE2 3.33Å
235	V	79.2	Confident	67.9	Low	51 Å²	51	76.8 Å²	76.8	31%	0.309	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-29.3	178.7	-171.6	0	0	0	0	112.6	G232 T233 D237 R562	G232-V235 WeakPolarHBondContact O-CB 3.26Å; G232-V235 PolarHBondContact O-N 2.94Å; T233-V235 VanDerWaalsContact C-N 3.28Å; T233-V235 PolarHBondContact O-N 3.47Å; V235-D237 PolarHBondContact O-N 3.22Å; V235-R562 PolarHBondContact O-NH1 2.93Å; V235-R562 VanDerWaalsContact O-NH1 3.14Å
236	N	83.2	Confident	70.2	Confident	63 Å²	63	72 Å²	72	34%	0.337	40%	0.397	S	S	.	.			trans	-86.3	104.1	-176.8	-174.6	-10.3	0	0	0	110.8	A238 L239 N240	N236-A238 PolarHBondContact O-N 3.18Å; N236-A238 VanDerWaalsContact O-N 3.08Å; N236-A238 VanDerWaalsContact OD1-CB 3.32Å; N236-A238 WeakPolarHBondContact OD1-CB 3.38Å; N236-A238 PolarHBondContact OD1-N 3.33Å; N236-L239 HydrophobicContact CB-CD1 4.06Å; N236-L239 HydrophobicContact CB-CG 4.01Å; N236-L239 PolarHBondContact O-N 3.04Å; N236-N240 PolarHBondContact O-N 3.28Å; N236-N240 PolarHBondContact O-ND2 2.81Å
237	D	85.2	Confident	72.6	Confident	39 Å²	39	68.7 Å²	68.7	21%	0.209	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-20.5	-178.7	-72.1	-9	0	0	0	113.4	V235 L239 N240 Q241 P273 H274 R562	V235-D237 PolarHBondContact O-N 3.22Å; D237-L239 VanDerWaalsContact C-N 3.33Å; D237-N240 PolarHBondContact O-N 3.05Å; D237-Q241 PolarHBondContact O-NE2 3.46Å; D237-P273 HydrophobicContact CB-CB 3.86Å; D237-H274 VanDerWaalsContact OD1-CA 3.29Å; D237-H274 WeakPolarHBondContact OD1-CA 3.44Å; D237-H274 PolarHBondContact OD1-N 3.23Å; D237-R562 IonicContact OD1-CZ 3.19Å; D237-R562 IonicContact OD1-NH2 2.63Å; D237-R562 PolarHBondContact OD1-NH2 2.91Å; D237-R562 IonicContact OD2-CZ 3.59Å; D237-R562 IonicContact OD2-NH2 3.47Å; D237-R562 PolarHBondContact OD2-NH2 3.03Å
238	A	85.2	Confident	75.4	Confident	69 Å²	69	64.3 Å²	64.3	57%	0.57	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-28.7	172.9	0	0	0	0	0	113	N236 Q241	N236-A238 PolarHBondContact O-N 3.18Å; N236-A238 VanDerWaalsContact O-N 3.08Å; N236-A238 VanDerWaalsContact OD1-CB 3.32Å; N236-A238 WeakPolarHBondContact OD1-CB 3.38Å; N236-A238 PolarHBondContact OD1-N 3.33Å; A238-Q241 WeakPolarHBondContact O-CG 3.39Å
239	L	83.5	Confident	77.9	Confident	40 Å²	40	59.4 Å²	59.4	21%	0.209	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-10.5	176.7	-47.4	-178.4	0	0	0	112.3	I151 T233 N236 D237 Q241 R280	I151-L239 HydrophobicContact CD1-CD1 4.19Å; I151-L239 HydrophobicContact CD1-CD2 3.99Å; I151-L239 HydrophobicContact CD1-CG 4.46Å; I151-L239 HydrophobicContact CG2-CD2 4.14Å; T233-L239 HydrophobicContact CG2-CD1 4.26Å; N236-L239 HydrophobicContact CB-CD1 4.06Å; N236-L239 HydrophobicContact CB-CG 4.01Å; N236-L239 PolarHBondContact O-N 3.04Å; D237-L239 VanDerWaalsContact C-N 3.33Å; L239-Q241 PolarHBondContact O-N 2.86Å; L239-R280 PolarHBondContact O-NH1 3.37Å
240	N	89.3	Confident	80.5	Confident	0 Å²	0	52 Å²	52	0%	0	30%	0.3	C	S	.	.	S	Bend	trans	-100.6	42	-178.2	-65.9	-66.4	0	0	0	112.7	T233 N236 D237 P273 I276 R280	T233-N240 PolarHBondContact O-ND2 3.03Å; N236-N240 PolarHBondContact O-N 3.28Å; N236-N240 PolarHBondContact O-ND2 2.81Å; D237-N240 PolarHBondContact O-N 3.05Å; N240-P273 HydrophobicContact CB-CB 4.38Å; N240-P273 VanDerWaalsContact CB-O 3.22Å; N240-P273 WeakPolarHBondContact CB-O 3.24Å; N240-P273 VanDerWaalsContact O-CA 3.24Å; N240-P273 WeakPolarHBondContact O-CA 3.45Å; N240-P273 WeakPolarHBondContact O-CB 3.45Å; N240-I276 HydrophobicContact CB-CB 4.11Å; N240-I276 HydrophobicContact CB-CG2 3.95Å; N240-I276 VanDerWaalsContact O-CD1 3.26Å; N240-I276 WeakPolarHBondContact O-CD1 3.42Å; N240-R280 WeakPolarHBondContact OD1-CD 3.32Å; N240-R280 PolarHBondContact OD1-NH1 3.12Å
241	Q	87.4	Confident	82.8	Confident	87 Å²	87	44.9 Å²	44.9	41%	0.407	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-92.8	171.1	174.8	-59.3	-59.8	-32.6	0	0	112.1	D237 A238 L239 P273	D237-Q241 PolarHBondContact O-NE2 3.46Å; A238-Q241 WeakPolarHBondContact O-CG 3.39Å; L239-Q241 PolarHBondContact O-N 2.86Å; Q241-P273 VanDerWaalsContact NE2-CG 3.34Å
242	H	87.8	Confident	84.4	Confident	63 Å²	63	45.1 Å²	45.1	29%	0.292	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-74.6	159.3	169.8	-56.8	173.7	0	0	0	110.5	R247 A268 V271 I276	H242-R247 CarbonylContact C-O 3.52Å; H242-R247 WeakPolarHBondContact CA-O 3.44Å; H242-A268 PolarHBondContact CE1-O 2.9Å; H242-A268 PolarHBondContact NE2-O 2.67Å; H242-V271 PolarHBondContact NE2-O 2.71Å; H242-I276 VanDerWaalsContact CD2-CD1 3.5Å; H242-I276 WeakPolarHBondContact CD2-CD1 3.4Å
243	D	87.3	Confident	85.5	Confident	38 Å²	38	45.8 Å²	45.8	20%	0.203	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-74.8	173.2	166.7	79.5	0.4	0	0	0	111.8	L245 G246 R247	D243-L245 PolarHBondContact O-N 3.13Å; D243-L245 WeakPolarHBondContact OD1-CA 3.49Å; D243-L245 WeakPolarHBondContact OD1-CB 3.37Å; D243-L245 PolarHBondContact OD1-N 2.9Å; D243-G246 PolarHBondContact O-N 2.77Å; D243-G246 PolarHBondContact OD1-N 3.13Å; D243-G246 VanDerWaalsContact OD1-N 3.15Å; D243-R247 PolarHBondContact N-O 2.76Å; D243-R247 WeakPolarHBondContact OD1-CB 3.37Å; D243-R247 PolarHBondContact OD1-N 3.47Å; D243-R247 IonicContact OD1-NE 3.44Å; D243-R247 IonicContact OD2-CZ 3.65Å; D243-R247 IonicContact OD2-NE 2.64Å; D243-R247 PolarHBondContact OD2-NE 2.79Å; D243-R247 IonicContact OD2-NH2 2.57Å; D243-R247 PolarHBondContact OD2-NH2 2.95Å
244	A	85.6	Confident	86.5	Confident	106 Å²	106	45.8 Å²	45.8	88%	0.876	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-3.5	179.9	0	0	0	0	0	114.7
245	L	86.6	Confident	86.7	Confident	132 Å²	132	46.1 Å²	46.1	69%	0.691	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	7.6	174.9	-56.9	177	0	0	0	112.1	D243 R247	D243-L245 PolarHBondContact O-N 3.13Å; D243-L245 WeakPolarHBondContact OD1-CA 3.49Å; D243-L245 WeakPolarHBondContact OD1-CB 3.37Å; D243-L245 PolarHBondContact OD1-N 2.9Å; L245-R247 VanDerWaalsContact C-N 3.32Å; L245-R247 HydrophobicContact CB-CG 4.18Å; L245-R247 PolarHBondContact O-N 3.38Å
246	G	87	Confident	86.7	Confident	36 Å²	36	48.5 Å²	48.5	37%	0.371	28%	0.284	S	S	.	.	S	Bend	trans	75.3	16	-179	0	0	0	0	0	114.4	D243	D243-G246 PolarHBondContact O-N 2.77Å; D243-G246 PolarHBondContact OD1-N 3.13Å; D243-G246 VanDerWaalsContact OD1-N 3.15Å
247	R	91.2	Very high	86.7	Confident	104 Å²	104	52.9 Å²	52.9	39%	0.392	30%	0.302	S	S	.	.			trans	-95.9	158.6	-179.9	-49.3	176.6	-59.5	169.9	6.6	110.6	H242 D243 L245 F262	H242-R247 CarbonylContact C-O 3.52Å; H242-R247 WeakPolarHBondContact CA-O 3.44Å; D243-R247 PolarHBondContact N-O 2.76Å; D243-R247 WeakPolarHBondContact OD1-CB 3.37Å; D243-R247 PolarHBondContact OD1-N 3.47Å; D243-R247 IonicContact OD1-NE 3.44Å; D243-R247 IonicContact OD2-CZ 3.65Å; D243-R247 IonicContact OD2-NE 2.64Å; D243-R247 PolarHBondContact OD2-NE 2.79Å; D243-R247 IonicContact OD2-NH2 2.57Å; D243-R247 PolarHBondContact OD2-NH2 2.95Å; L245-R247 VanDerWaalsContact C-N 3.32Å; L245-R247 HydrophobicContact CB-CG 4.18Å; L245-R247 PolarHBondContact O-N 3.38Å; R247-F262 HydrophobicContact CB-CD1 3.86Å; R247-F262 HydrophobicContact CB-CE1 4.16Å
248	V	92.9	Very high	86.8	Confident	1 Å²	1	52 Å²	52	1%	0.006	30%	0.297	C	S	.	.			trans	-116.8	109.1	175.1	175.7	0	0	0	0	109.4	F262 L263 A268 V271 I276	V248-F262 WeakPolarHBondContact O-CA 3.25Å; V248-L263 HydrophobicContact CB-CB 4.3Å; V248-L263 HydrophobicContact CB-CD1 3.8Å; V248-L263 HydrophobicContact CB-CG 4.02Å; V248-L263 HydrophobicContact CG1-CD1 3.81Å; V248-L263 HydrophobicContact CG1-CG 4.11Å; V248-L263 HydrophobicContact CG2-CD1 4.24Å; V248-L263 PolarHBondContact O-N 3.31Å; V248-A268 HydrophobicContact CB-CB 4.48Å; V248-A268 HydrophobicContact CG2-CB 4.09Å; V248-V271 HydrophobicContact CG2-CG2 4.11Å; V248-I276 HydrophobicContact CG1-CB 4.43Å; V248-I276 HydrophobicContact CG1-CD1 4.44Å; V248-I276 HydrophobicContact CG1-CG1 4.01Å; V248-I276 HydrophobicContact CG1-CG2 3.72Å; V248-I276 HydrophobicContact CG2-CD1 3.79Å; V248-I276 HydrophobicContact CG2-CG1 4.06Å
249	L	92.8	Very high	87	Confident	29 Å²	29	53.7 Å²	53.7	15%	0.152	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-76.1	125.7	167.9	-179	61.7	0	0	0	109.5	N251 L252 N260 F262 R280	L249-N251 VanDerWaalsContact CD1-OD1 3.32Å; L249-N251 WeakPolarHBondContact CD1-OD1 3.22Å; L249-L252 HydrophobicContact CD2-CD2 4.14Å; L249-L252 HydrophobicContact CG-CD2 4.34Å; L249-N260 HydrophobicContact CD1-CB 3.87Å; L249-N260 WeakPolarHBondContact CD1-OD1 3.32Å; L249-F262 HydrophobicContact CB-CD1 4.28Å; L249-F262 HydrophobicContact CB-CE1 3.94Å; L249-F262 HydrophobicContact CD1-CE1 4.2Å; L249-F262 HydrophobicContact CD1-CZ 4.24Å; L249-R280 PolarHBondContact O-NE 3.25Å; L249-R280 PolarHBondContact O-NH2 3.2Å
250	V	92.9	Very high	87.3	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.012	30%	0.304	C	S	.	.	S	Bend	trans	-92.4	-52.3	-177.4	-179.2	0	0	0	0	111.1	L252 V261 L263 I279 R280 Y283 V321	V250-L252 VanDerWaalsContact C-N 3.3Å; V250-L252 PolarHBondContact O-N 3.18Å; V250-V261 HydrophobicContact CB-CG1 4.21Å; V250-V261 PolarHBondContact N-O 2.95Å; V250-L263 HydrophobicContact CG2-CD2 4.01Å; V250-L263 HydrophobicContact CG2-CG 4.09Å; V250-I279 HydrophobicContact CG1-CG2 4.05Å; V250-I279 HydrophobicContact CG2-CG2 4.06Å; V250-R280 HydrophobicContact CG1-CG 4.49Å; V250-R280 WeakPolarHBondContact O-CG 3.43Å; V250-Y283 HydrophobicContact CG1-CD2 3.84Å; V250-Y283 HydrophobicContact CG1-CG 3.89Å; V250-V321 HydrophobicContact CG2-CG2 4.35Å
251	N	91.4	Very high	87.5	Confident	6 Å²	6	55.6 Å²	55.6	3%	0.032	30%	0.304	C	S	.	.			trans	-83.6	63.5	-176	64.2	-22.4	0	0	0	112.5	L249 N253 H254 E259 V261 Y283	L249-N251 VanDerWaalsContact CD1-OD1 3.32Å; L249-N251 WeakPolarHBondContact CD1-OD1 3.22Å; N251-N253 PolarHBondContact O-N 2.81Å; N251-H254 HydrophobicContact CB-CB 4.23Å; N251-H254 WeakPolarHBondContact ND2-CB 3.5Å; N251-H254 VanDerWaalsContact ND2-CG 3.34Å; N251-H254 PolarHBondContact ND2-ND1 3.33Å; N251-H254 PolarHBondContact O-N 2.86Å; N251-H254 PolarHBondContact O-ND1 2.84Å; N251-E259 PolarHBondContact ND2-O 3.39Å; N251-V261 HydrophobicContact CB-CB 4.35Å; N251-V261 WeakPolarHBondContact OD1-CB 3.4Å; N251-V261 PolarHBondContact OD1-N 2.85Å; N251-Y283 HydrophobicContact CB-CD1 4.36Å; N251-Y283 HydrophobicContact CB-CE1 3.66Å; N251-Y283 HydrophobicContact CB-CE2 4.42Å
252	L	83.2	Confident	87.8	Confident	27 Å²	27	53.8 Å²	53.8	14%	0.141	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-24.4	-172.1	-79.5	-176.3	0	0	0	117.3	A149 L249 V250	A149-L252 WeakPolarHBondContact CB-O 3.15Å; L249-L252 HydrophobicContact CD2-CD2 4.14Å; L249-L252 HydrophobicContact CG-CD2 4.34Å; V250-L252 VanDerWaalsContact C-N 3.3Å; V250-L252 PolarHBondContact O-N 3.18Å
253	N	81.3	Confident	88.2	Confident	25 Å²	25	51.3 Å²	51.3	13%	0.134	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.8	40.6	-173.2	-43.6	-92.9	0	0	0	111.2	Q143 R144 Y147 N251	Q143-N253 HydrophobicContact CB-CB 4.4Å; R144-N253 HydrophobicContact CG-CB 4.23Å; Y147-N253 WeakPolarHBondContact O-CA 3.19Å; N251-N253 PolarHBondContact O-N 2.81Å
254	H	84	Confident	88.4	Confident	30 Å²	30	49.5 Å²	49.5	14%	0.139	27%	0.274	C	S	.	.			trans	-72.5	148.6	176.7	62	-79.5	0	0	0	111.3	Y147 N251 E258 N260	Y147-H254 WeakPolarHBondContact CB-O 3.48Å; N251-H254 HydrophobicContact CB-CB 4.23Å; N251-H254 WeakPolarHBondContact ND2-CB 3.5Å; N251-H254 VanDerWaalsContact ND2-CG 3.34Å; N251-H254 PolarHBondContact ND2-ND1 3.33Å; N251-H254 PolarHBondContact O-N 2.86Å; N251-H254 PolarHBondContact O-ND1 2.84Å; H254-E258 HydrophobicContact CB-CB 4.15Å; H254-E258 PolarHBondContact CD2-O 3.05Å; H254-E258 VanDerWaalsContact CD2-O 3.26Å; H254-N260 VanDerWaalsContact CE1-CG 3.5Å; H254-N260 PolarHBondContact CE1-ND2 2.91Å; H254-N260 PolarHBondContact NE2-ND2 2.96Å; H254-N260 VanDerWaalsContact NE2-ND2 3.13Å
255	P	83.7	Confident	88.7	Confident	21 Å²	21	46.7 Å²	46.7	14%	0.136	25%	0.246	C	C	.	.			trans	-57.4	147.9	167.8	-20.8	32.9	0	0	0	110.9	Y147 E257 E258	Y147-P255 HydrophobicContact CD2-CG 4.37Å; Y147-P255 HydrophobicContact CE1-CB 4.39Å; Y147-P255 HydrophobicContact CE2-CB 4.03Å; Y147-P255 HydrophobicContact CE2-CG 3.91Å; P255-E257 WeakPolarHBondContact CB-OE2 3.37Å; P255-E257 PolarHBondContact O-N 3.45Å; P255-E258 PolarHBondContact O-N 2.98Å
256	P	79.9	Confident	88.9	Confident	100 Å²	100	41.5 Å²	41.5	65%	0.649	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-9.7	-176.8	28.6	-37	0	0	0	114.3	Y147	Y147-P256 HydrophobicContact CE1-CG 4.38Å
257	E	83.5	Confident	89.2	Confident	155 Å²	155	39.8 Å²	39.8	72%	0.724	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-20.1	172.1	-55.5	79.8	-175.2	0	0	113.5	P255	P255-E257 WeakPolarHBondContact CB-OE2 3.37Å; P255-E257 PolarHBondContact O-N 3.45Å
258	E	86.2	Confident	89.4	Confident	20 Å²	20	34.9 Å²	34.9	9%	0.093	18%	0.183	C	C	.	.	S	Bend	trans	-86.4	158.6	173	-66.7	-166.9	175.4	0	0	111.1	H254 P255 S289 L290 E291	H254-E258 HydrophobicContact CB-CB 4.15Å; H254-E258 PolarHBondContact CD2-O 3.05Å; H254-E258 VanDerWaalsContact CD2-O 3.26Å; P255-E258 PolarHBondContact O-N 2.98Å; E258-S289 WeakPolarHBondContact OE1-CB 3.42Å; E258-S289 PolarHBondContact OE1-OG 2.99Å; E258-L290 HydrophobicContact CB-CD1 4.4Å; E258-L290 HydrophobicContact CG-CB 4.33Å; E258-L290 PolarHBondContact OE1-N 3.16Å; E258-L290 PolarHBondContact OE2-N 3.42Å; E258-E291 PolarHBondContact OE1-N 3.05Å
259	E	89.4	Confident	89.3	Confident	106 Å²	106	42.3 Å²	42.3	50%	0.495	21%	0.211	S	C	.	.			trans	-86.3	155.9	-179.7	64.6	-178.6	166.9	0	0	113	N251 V261 L290 H325	N251-E259 PolarHBondContact ND2-O 3.39Å; E259-V261 PolarHBondContact O-N 3.01Å; E259-L290 HydrophobicContact CG-CD1 3.9Å; E259-H325 IonicContact OE1-CE1 2.73Å; E259-H325 IonicContact OE1-CG 3.33Å; E259-H325 IonicContact OE1-ND1 2.69Å; E259-H325 PolarHBondContact OE1-ND1 2.66Å
260	N	90.7	Very high	89.2	Confident	80 Å²	80	42.2 Å²	42.2	43%	0.428	21%	0.214	S	C	.	.			trans	-73.6	111.9	174.8	-82.8	-108.6	0	0	0	110.4	L249 H254 F262	L249-N260 HydrophobicContact CD1-CB 3.87Å; L249-N260 WeakPolarHBondContact CD1-OD1 3.32Å; H254-N260 VanDerWaalsContact CE1-CG 3.5Å; H254-N260 PolarHBondContact CE1-ND2 2.91Å; H254-N260 PolarHBondContact NE2-ND2 2.96Å; H254-N260 VanDerWaalsContact NE2-ND2 3.13Å; N260-F262 HydrophobicContact CB-CD2 4.23Å; N260-F262 HydrophobicContact CB-CE2 3.52Å; N260-F262 HydrophobicContact CB-CZ 4.02Å; N260-F262 WeakPolarHBondContact O-CD2 3.14Å; N260-F262 PolarHBondContact O-N 2.73Å
261	V	93.2	Very high	89.2	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.214	C	C	.	.			trans	-88.3	108.3	-176.5	173.7	0	0	0	0	110.2	V250 N251 E259 Y283 L290 V321 H325	V250-V261 HydrophobicContact CB-CG1 4.21Å; V250-V261 PolarHBondContact N-O 2.95Å; N251-V261 HydrophobicContact CB-CB 4.35Å; N251-V261 WeakPolarHBondContact OD1-CB 3.4Å; N251-V261 PolarHBondContact OD1-N 2.85Å; E259-V261 PolarHBondContact O-N 3.01Å; V261-Y283 HydrophobicContact CG1-CE2 4.46Å; V261-L290 HydrophobicContact CG2-CD1 4.35Å; V261-L290 HydrophobicContact CG2-CD2 4.49Å; V261-V321 HydrophobicContact CG1-CB 4.34Å; V261-V321 HydrophobicContact CG1-CG1 3.4Å; V261-V321 VanDerWaalsContact CG1-CG1 3.4Å; V261-V321 HydrophobicContact CG1-CG2 4.06Å; V261-H325 HydrophobicContact CG2-CB 4.31Å
262	F	94.3	Very high	89.2	Confident	49 Å²	49	46.7 Å²	46.7	22%	0.215	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-103.8	151.2	177.9	-65.1	-81.1	0	0	0	112.8	R247 V248 L249 N260 R324	R247-F262 HydrophobicContact CB-CD1 3.86Å; R247-F262 HydrophobicContact CB-CE1 4.16Å; V248-F262 WeakPolarHBondContact O-CA 3.25Å; L249-F262 HydrophobicContact CB-CD1 4.28Å; L249-F262 HydrophobicContact CB-CE1 3.94Å; L249-F262 HydrophobicContact CD1-CE1 4.2Å; L249-F262 HydrophobicContact CD1-CZ 4.24Å; N260-F262 HydrophobicContact CB-CD2 4.23Å; N260-F262 HydrophobicContact CB-CE2 3.52Å; N260-F262 HydrophobicContact CB-CZ 4.02Å; N260-F262 WeakPolarHBondContact O-CD2 3.14Å; N260-F262 PolarHBondContact O-N 2.73Å; F262-R324 PolarHBondContact O-NH1 2.89Å; F262-R324 PolarHBondContact O-NH2 3.38Å
263	L	94.7	Very high	89.6	Confident	10 Å²	10	47 Å²	47	5%	0.052	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-69.5	151.3	164.2	-66.5	-174.8	0	0	0	111.8	V248 V250 L267 A268 V271 I279 V321	V248-L263 HydrophobicContact CB-CB 4.3Å; V248-L263 HydrophobicContact CB-CD1 3.8Å; V248-L263 HydrophobicContact CB-CG 4.02Å; V248-L263 HydrophobicContact CG1-CD1 3.81Å; V248-L263 HydrophobicContact CG1-CG 4.11Å; V248-L263 HydrophobicContact CG2-CD1 4.24Å; V248-L263 PolarHBondContact O-N 3.31Å; V250-L263 HydrophobicContact CG2-CD2 4.01Å; V250-L263 HydrophobicContact CG2-CG 4.09Å; L263-L267 HydrophobicContact CB-CB 4.34Å; L263-A268 HydrophobicContact CB-CB 4.25Å; L263-V271 HydrophobicContact CD1-CG2 3.88Å; L263-I279 HydrophobicContact CD1-CD1 3.87Å; L263-I279 HydrophobicContact CD2-CG2 4.23Å; L263-V321 HydrophobicContact CD2-CG2 3.77Å
264	A	92.5	Very high	90.1	Very high	1 Å²	1	46 Å²	46	1%	0.008	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-57.1	148.1	170.4	0	0	0	0	0	111.9	Q266 L267 A268 Q367	A264-Q266 VanDerWaalsContact C-N 3.32Å; A264-Q266 PolarHBondContact O-N 3.03Å; A264-L267 HydrophobicContact CB-CD1 4.09Å; A264-L267 HydrophobicContact CB-CG 4.21Å; A264-L267 WeakPolarHBondContact O-CB 3.49Å; A264-L267 PolarHBondContact O-N 2.92Å; A264-A268 PolarHBondContact O-N 2.86Å; A264-Q367 HydrophobicContact CB-CB 4.09Å
265	P	90.9	Very high	90.6	Very high	46 Å²	46	45 Å²	45	30%	0.299	23%	0.227	S	C	.	.	H	α-helix	trans	-57.2	-38.4	-170.8	-27.3	35.6	0	0	0	114.8	R269 E364	P265-R269 PolarHBondContact O-N 2.96Å; P265-E364 WeakPolarHBondContact CB-O 3.42Å; P265-E364 WeakPolarHBondContact CG-O 3.17Å
266	Q	91.3	Very high	91.1	Very high	23 Å²	23	44 Å²	44	11%	0.107	22%	0.221	C	C	.	.	H	α-helix	trans	-72	-32.9	178.1	75.9	-80.3	9.4	0	0	112.9	A264 A270 W350 V366 Q367	A264-Q266 VanDerWaalsContact C-N 3.32Å; A264-Q266 PolarHBondContact O-N 3.03Å; Q266-A270 PolarHBondContact O-N 2.61Å; Q266-W350 WeakPolarHBondContact CG-O 3.49Å; Q266-W350 PolarHBondContact NE2-O 3.33Å; Q266-W350 VanDerWaalsContact NE2-O 3.13Å; Q266-V366 HydrophobicContact CG-CG1 4.35Å; Q266-Q367 PolarHBondContact NE2-O 2.98Å
267	L	94.3	Very high	91.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-70.1	-49.6	175.8	-65.2	179.3	0	0	0	110.6	L263 A264 R269 A270 V271 L313 D320 W350 L351	L263-L267 HydrophobicContact CB-CB 4.34Å; A264-L267 HydrophobicContact CB-CD1 4.09Å; A264-L267 HydrophobicContact CB-CG 4.21Å; A264-L267 WeakPolarHBondContact O-CB 3.49Å; A264-L267 PolarHBondContact O-N 2.92Å; L267-R269 VanDerWaalsContact C-N 3.27Å; L267-R269 PolarHBondContact O-N 3.11Å; L267-A270 PolarHBondContact O-N 3.31Å; L267-V271 WeakPolarHBondContact O-CG2 3.41Å; L267-V271 PolarHBondContact O-N 2.92Å; L267-L313 HydrophobicContact CD2-CD1 4.02Å; L267-D320 HydrophobicContact CD1-CB 4.2Å; L267-W350 HydrophobicContact CD2-CB 3.83Å; L267-L351 HydrophobicContact CD1-CD2 3.95Å; L267-L351 HydrophobicContact CD1-CG 4.49Å; L267-L351 HydrophobicContact CD2-CD2 4.43Å; L267-L351 HydrophobicContact CD2-CG 4.48Å; L267-L351 HydrophobicContact CG-CD2 4.25Å
268	A	93.6	Very high	92.4	Very high	2 Å²	2	31.9 Å²	31.9	2%	0.017	16%	0.155	C	C	.	.	H	α-helix	trans	-52.5	-46.1	179.1	0	0	0	0	0	111.6	H242 V248 L263 A264 A270	H242-A268 PolarHBondContact CE1-O 2.9Å; H242-A268 PolarHBondContact NE2-O 2.67Å; V248-A268 HydrophobicContact CB-CB 4.48Å; V248-A268 HydrophobicContact CG2-CB 4.09Å; L263-A268 HydrophobicContact CB-CB 4.25Å; A264-A268 PolarHBondContact O-N 2.86Å; A268-A270 VanDerWaalsContact C-N 3.29Å; A268-A270 PolarHBondContact O-N 3.01Å
269	R	91	Very high	92.9	Very high	157 Å²	157	31 Å²	31	59%	0.592	15%	0.151	S	C	*	.	H	α-helix	trans	-63.3	-29.3	177.7	-163.2	-175.8	-55.4	139.1	11	114	P265 L267	P265-R269 PolarHBondContact O-N 2.96Å; L267-R269 VanDerWaalsContact C-N 3.27Å; L267-R269 PolarHBondContact O-N 3.11Å
270	A	91.1	Very high	93.1	Very high	27 Å²	27	26.5 Å²	26.5	22%	0.223	13%	0.129	C	C	.	.	H	α-helix	trans	-87.7	-40.5	-176.2	0	0	0	0	0	113.3	Q266 L267 A268 W350	Q266-A270 PolarHBondContact O-N 2.61Å; L267-A270 PolarHBondContact O-N 3.31Å; A268-A270 VanDerWaalsContact C-N 3.29Å; A268-A270 PolarHBondContact O-N 3.01Å; A270-W350 HydrophobicContact CB-CE3 4.18Å; A270-W350 HydrophobicContact CB-CH2 4.12Å; A270-W350 HydrophobicContact CB-CZ3 3.5Å
271	V	92.8	Very high	93.3	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.012	11%	0.109	C	C	.	.			trans	-67.7	136.3	-170.5	-67.5	0	0	0	0	113.4	H242 V248 L263 L267 Q275 I276 I279 L313	H242-V271 PolarHBondContact NE2-O 2.71Å; V248-V271 HydrophobicContact CG2-CG2 4.11Å; L263-V271 HydrophobicContact CD1-CG2 3.88Å; L267-V271 WeakPolarHBondContact O-CG2 3.41Å; L267-V271 PolarHBondContact O-N 2.92Å; V271-Q275 HydrophobicContact CB-CB 4.26Å; V271-I276 HydrophobicContact CB-CG1 4.13Å; V271-I276 HydrophobicContact CG2-CD1 3.98Å; V271-I276 HydrophobicContact CG2-CG1 3.53Å; V271-I279 HydrophobicContact CG1-CD1 3.99Å; V271-L313 HydrophobicContact CG1-CD1 4.33Å; V271-L313 HydrophobicContact CG1-CD2 4.04Å; V271-L313 HydrophobicContact CG1-CG 4.03Å
272	K	91.3	Very high	93.5	Very high	100 Å²	100	22.7 Å²	22.7	44%	0.435	11%	0.109	S	C	.	.			trans	-89.1	162.9	176.4	-55.1	-52.1	179.3	-168.3	0	111.8	H274 Q275 I276	K272-H274 PolarHBondContact O-N 3.25Å; K272-Q275 HydrophobicContact CB-CG 4.24Å; K272-Q275 CarbonylContact O-C 3.55Å; K272-Q275 WeakPolarHBondContact O-CA 3.43Å; K272-Q275 VanDerWaalsContact O-CB 3.26Å; K272-Q275 WeakPolarHBondContact O-CB 3.38Å; K272-Q275 PolarHBondContact O-N 3.41Å; K272-I276 PolarHBondContact O-N 2.96Å
273	P	92.1	Very high	93.5	Very high	34 Å²	34	20.6 Å²	20.6	22%	0.221	10%	0.1	C	C	.	.	H	α-helix	trans	-55.2	-43.7	-174.8	-30.4	37.8	0	0	0	115.2	D237 N240 Q241 Q275 I276 G277	D237-P273 HydrophobicContact CB-CB 3.86Å; N240-P273 HydrophobicContact CB-CB 4.38Å; N240-P273 VanDerWaalsContact CB-O 3.22Å; N240-P273 WeakPolarHBondContact CB-O 3.24Å; N240-P273 VanDerWaalsContact O-CA 3.24Å; N240-P273 WeakPolarHBondContact O-CA 3.45Å; N240-P273 WeakPolarHBondContact O-CB 3.45Å; Q241-P273 VanDerWaalsContact NE2-CG 3.34Å; P273-Q275 PolarHBondContact O-N 2.91Å; P273-I276 PolarHBondContact O-N 3.08Å; P273-G277 PolarHBondContact O-N 2.89Å
274	H	91	Very high	93.4	Very high	4 Å²	4	21 Å²	21	2%	0.019	10%	0.102	C	C	.	.	H	α-helix	trans	-65.4	-22.1	176	73	-82.5	0	0	0	113.4	D237 K272 G278 L309 V566	D237-H274 VanDerWaalsContact OD1-CA 3.29Å; D237-H274 WeakPolarHBondContact OD1-CA 3.44Å; D237-H274 PolarHBondContact OD1-N 3.23Å; K272-H274 PolarHBondContact O-N 3.25Å; H274-G278 PolarHBondContact O-N 3.38Å; H274-L309 PolarHBondContact NE2-O 3.32Å; H274-V566 HydrophobicContact CB-CG1 4.16Å
275	Q	94.4	Very high	93.5	Very high	9 Å²	9	21 Å²	21	4%	0.042	10%	0.102	C	C	.	.	H	α-helix	trans	-84	-37.2	176.5	-55.2	-179.6	-40.1	0	0	111.2	V271 K272 P273 G277 G278 I279 L309 Q314	V271-Q275 HydrophobicContact CB-CB 4.26Å; K272-Q275 HydrophobicContact CB-CG 4.24Å; K272-Q275 CarbonylContact O-C 3.55Å; K272-Q275 WeakPolarHBondContact O-CA 3.43Å; K272-Q275 VanDerWaalsContact O-CB 3.26Å; K272-Q275 WeakPolarHBondContact O-CB 3.38Å; K272-Q275 PolarHBondContact O-N 3.41Å; P273-Q275 PolarHBondContact O-N 2.91Å; Q275-G277 VanDerWaalsContact C-N 3.3Å; Q275-G278 CarbonylContact O-C 3.59Å; Q275-G278 WeakPolarHBondContact O-CA 3.25Å; Q275-G278 PolarHBondContact O-N 3.29Å; Q275-G278 VanDerWaalsContact O-N 3.13Å; Q275-I279 WeakPolarHBondContact O-CD1 3.44Å; Q275-I279 VanDerWaalsContact O-CG1 3.29Å; Q275-I279 WeakPolarHBondContact O-CG1 3.3Å; Q275-I279 PolarHBondContact O-N 3.08Å; Q275-L309 PolarHBondContact NE2-O 2.83Å; Q275-Q314 HydrophobicContact CB-CG 3.57Å; Q275-Q314 HydrophobicContact CG-CG 4.02Å
276	I	95.1	Very high	93.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61	-44.2	169.5	-66.4	163.5	0	0	0	109.6	N240 H242 V248 V271 K272 P273 G278 I279 R280	N240-I276 HydrophobicContact CB-CB 4.11Å; N240-I276 HydrophobicContact CB-CG2 3.95Å; N240-I276 VanDerWaalsContact O-CD1 3.26Å; N240-I276 WeakPolarHBondContact O-CD1 3.42Å; H242-I276 VanDerWaalsContact CD2-CD1 3.5Å; H242-I276 WeakPolarHBondContact CD2-CD1 3.4Å; V248-I276 HydrophobicContact CG1-CB 4.43Å; V248-I276 HydrophobicContact CG1-CD1 4.44Å; V248-I276 HydrophobicContact CG1-CG1 4.01Å; V248-I276 HydrophobicContact CG1-CG2 3.72Å; V248-I276 HydrophobicContact CG2-CD1 3.79Å; V248-I276 HydrophobicContact CG2-CG1 4.06Å; V271-I276 HydrophobicContact CB-CG1 4.13Å; V271-I276 HydrophobicContact CG2-CD1 3.98Å; V271-I276 HydrophobicContact CG2-CG1 3.53Å; K272-I276 PolarHBondContact O-N 2.96Å; P273-I276 PolarHBondContact O-N 3.08Å; I276-G278 VanDerWaalsContact C-N 3.35Å; I276-G278 PolarHBondContact O-N 2.85Å; I276-I279 PolarHBondContact O-N 3.28Å; I276-R280 WeakPolarHBondContact O-CB 3.46Å; I276-R280 WeakPolarHBondContact O-CG 3.46Å; I276-R280 PolarHBondContact O-N 2.76Å
277	G	94.1	Very high	93.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-55.8	-46.7	169	0	0	0	0	0	112.4	H234 P273 Q275 I279 R280 F281 Q560	H234-G277 WeakPolarHBondContact CB-O 3.23Å; H234-G277 CarbonylContact O-C 3.47Å; H234-G277 WeakPolarHBondContact O-CA 3.36Å; P273-G277 PolarHBondContact O-N 2.89Å; Q275-G277 VanDerWaalsContact C-N 3.3Å; G277-I279 PolarHBondContact O-N 3.39Å; G277-R280 PolarHBondContact O-N 2.95Å; G277-F281 WeakPolarHBondContact O-CB 3.37Å; G277-F281 PolarHBondContact O-N 3.33Å; G277-Q560 PolarHBondContact O-NE2 2.91Å
278	G	95.8	Very high	93.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-55	-48.8	173.3	0	0	0	0	0	114.2	H274 Q275 I276 F281 L282	H274-G278 PolarHBondContact O-N 3.38Å; Q275-G278 CarbonylContact O-C 3.59Å; Q275-G278 WeakPolarHBondContact O-CA 3.25Å; Q275-G278 PolarHBondContact O-N 3.29Å; Q275-G278 VanDerWaalsContact O-N 3.13Å; I276-G278 VanDerWaalsContact C-N 3.35Å; I276-G278 PolarHBondContact O-N 2.85Å; G278-F281 PolarHBondContact O-N 2.93Å; G278-L282 WeakPolarHBondContact O-CG 3.42Å; G278-L282 PolarHBondContact O-N 3.18Å
279	I	96.4	Very high	93.4	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-64.5	-43.1	-179.6	-66.6	158.9	0	0	0	111.1	V250 L263 V271 Q275 I276 G277 F281 L282 Y283 Q314 S317	V250-I279 HydrophobicContact CG1-CG2 4.05Å; V250-I279 HydrophobicContact CG2-CG2 4.06Å; L263-I279 HydrophobicContact CD1-CD1 3.87Å; L263-I279 HydrophobicContact CD2-CG2 4.23Å; V271-I279 HydrophobicContact CG1-CD1 3.99Å; Q275-I279 WeakPolarHBondContact O-CD1 3.44Å; Q275-I279 VanDerWaalsContact O-CG1 3.29Å; Q275-I279 WeakPolarHBondContact O-CG1 3.3Å; Q275-I279 PolarHBondContact O-N 3.08Å; I276-I279 PolarHBondContact O-N 3.28Å; G277-I279 PolarHBondContact O-N 3.39Å; I279-F281 VanDerWaalsContact C-N 3.35Å; I279-L282 PolarHBondContact O-N 3.24Å; I279-Y283 PolarHBondContact O-N 3.09Å; I279-Q314 HydrophobicContact CG1-CB 4.21Å; I279-Q314 HydrophobicContact CG1-CG 4.45Å; I279-Q314 WeakPolarHBondContact CG1-O 3.47Å; I279-S317 VanDerWaalsContact CD1-CB 3.48Å
280	R	95	Very high	93.5	Very high	12 Å²	12	12.1 Å²	12.1	5%	0.045	6%	0.064	C	C	.	.	H	α-helix	trans	-63.4	-39.4	175.2	-70.3	176.6	175.4	165.3	-2.9	111.8	H234 L239 N240 L249 V250 I276 G277 Y283 D284	H234-R280 HydrophobicContact CB-CB 4.1Å; L239-R280 PolarHBondContact O-NH1 3.37Å; N240-R280 WeakPolarHBondContact OD1-CD 3.32Å; N240-R280 PolarHBondContact OD1-NH1 3.12Å; L249-R280 PolarHBondContact O-NE 3.25Å; L249-R280 PolarHBondContact O-NH2 3.2Å; V250-R280 HydrophobicContact CG1-CG 4.49Å; V250-R280 WeakPolarHBondContact O-CG 3.43Å; I276-R280 WeakPolarHBondContact O-CB 3.46Å; I276-R280 WeakPolarHBondContact O-CG 3.46Å; I276-R280 PolarHBondContact O-N 2.76Å; G277-R280 PolarHBondContact O-N 2.95Å; R280-Y283 PolarHBondContact O-N 3.35Å; R280-D284 WeakPolarHBondContact O-CB 3.35Å; R280-D284 PolarHBondContact O-N 3.27Å
281	F	95.1	Very high	93.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-66.4	-36.3	175	166.6	-98.2	0	0	0	113.6	H234 G277 G278 I279 N285 C301 L303 F558 Q560	H234-F281 HydrophobicContact CB-CB 4.03Å; H234-F281 AromaticContact CE1-CD2 4Å; H234-F281 AromaticContact NE2-CD2 3.75Å; G277-F281 WeakPolarHBondContact O-CB 3.37Å; G277-F281 PolarHBondContact O-N 3.33Å; G278-F281 PolarHBondContact O-N 2.93Å; I279-F281 VanDerWaalsContact C-N 3.35Å; F281-N285 WeakPolarHBondContact CE2-ND2 3.49Å; F281-N285 PolarHBondContact O-N 3.16Å; F281-N285 PolarHBondContact O-ND2 3.48Å; F281-C301 HydrophobicContact CE1-CB 3.75Å; F281-C301 HydrophobicContact CZ-CB 3.68Å; F281-L303 HydrophobicContact CD1-CD1 4.08Å; F281-L303 HydrophobicContact CE1-CD1 4.36Å; F281-F558 VanDerWaalsContact CZ-C 3.5Å; F281-F558 WeakPolarHBondContact CZ-O 3.26Å; F281-Q560 VanDerWaalsContact CB-OE1 3.26Å; F281-Q560 HydrophobicContact CD1-CB 3.7Å; F281-Q560 HydrophobicContact CD1-CG 4.43Å; F281-Q560 HydrophobicContact CD2-CB 3.85Å; F281-Q560 HydrophobicContact CD2-CG 4.42Å; F281-Q560 HydrophobicContact CE1-CB 3.55Å; F281-Q560 HydrophobicContact CE2-CB 3.7Å; F281-Q560 HydrophobicContact CG-CB 3.83Å; F281-Q560 HydrophobicContact CG-CG 4.27Å; F281-Q560 VanDerWaalsContact CG-OE1 3.26Å; F281-Q560 HydrophobicContact CZ-CB 3.53Å
282	L	96.1	Very high	93.3	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-62.7	-44.5	170.8	-67.5	173.8	0	0	0	110.6	G278 I279 N285 L286 V315 F318 V488	G278-L282 WeakPolarHBondContact O-CG 3.42Å; G278-L282 PolarHBondContact O-N 3.18Å; I279-L282 PolarHBondContact O-N 3.24Å; L282-N285 PolarHBondContact O-N 3.19Å; L282-L286 PolarHBondContact O-N 2.69Å; L282-V315 HydrophobicContact CD1-CG2 4.32Å; L282-F318 HydrophobicContact CB-CB 4.28Å; L282-F318 HydrophobicContact CB-CD1 4.32Å; L282-F318 HydrophobicContact CB-CD2 3.63Å; L282-F318 HydrophobicContact CB-CE2 4.05Å; L282-F318 HydrophobicContact CB-CG 3.79Å; L282-F318 HydrophobicContact CD1-CB 3.63Å; L282-F318 HydrophobicContact CD1-CD1 4.31Å; L282-F318 HydrophobicContact CD1-CG 3.9Å; L282-F318 HydrophobicContact CG-CG 4.47Å; L282-V488 HydrophobicContact CD2-CG1 3.65Å; L282-V488 HydrophobicContact CD2-CG2 4.12Å
283	Y	95	Very high	93.3	Very high	5 Å²	5	15.3 Å²	15.3	2%	0.02	7%	0.074	C	C	.	.	H	α-helix	trans	-63.1	-48.6	176.3	-166.6	-81.1	0	0	0	112.5	V250 N251 V261 I279 R280 N285 V287 E288 L290 V321	V250-Y283 HydrophobicContact CG1-CD2 3.84Å; V250-Y283 HydrophobicContact CG1-CG 3.89Å; N251-Y283 HydrophobicContact CB-CD1 4.36Å; N251-Y283 HydrophobicContact CB-CE1 3.66Å; N251-Y283 HydrophobicContact CB-CE2 4.42Å; V261-Y283 HydrophobicContact CG1-CE2 4.46Å; I279-Y283 PolarHBondContact O-N 3.09Å; R280-Y283 PolarHBondContact O-N 3.35Å; Y283-N285 PolarHBondContact O-N 3.43Å; Y283-V287 HydrophobicContact CD1-CB 4.24Å; Y283-V287 HydrophobicContact CD2-CB 4.01Å; Y283-V287 HydrophobicContact CD2-CG1 4.31Å; Y283-V287 HydrophobicContact CD2-CG2 4.01Å; Y283-V287 HydrophobicContact CE1-CB 4.16Å; Y283-V287 HydrophobicContact CE1-CG1 4.06Å; Y283-V287 HydrophobicContact CE2-CB 3.95Å; Y283-V287 HydrophobicContact CE2-CG1 3.72Å; Y283-V287 HydrophobicContact CE2-CG2 4.17Å; Y283-V287 HydrophobicContact CG-CB 4.16Å; Y283-V287 HydrophobicContact CG-CG2 4.45Å; Y283-V287 PolarHBondContact O-N 3.47Å; Y283-E288 PolarHBondContact O-N 3.22Å; Y283-L290 WeakPolarHBondContact OH-CD2 3.12Å; Y283-V321 HydrophobicContact CD2-CG1 4.22Å; Y283-V321 HydrophobicContact CE2-CG1 4.33Å
284	D	93	Very high	93.3	Very high	18 Å²	18	20.1 Å²	20.1	10%	0.096	9%	0.091	C	C	.	.	H	α-helix	trans	-55.6	-18.8	175.7	-84.9	4	0	0	0	113.4	R136 L140 R144 H234 R280	R136-D284 PolarHBondContact NH1-O 2.79Å; L140-D284 HydrophobicContact CD1-CB 4.35Å; L140-D284 WeakPolarHBondContact CD1-O 3.29Å; R144-D284 IonicContact NH2-OD2 3.21Å; R144-D284 PolarHBondContact NH2-OD2 3.07Å; H234-D284 IonicContact CE1-OD2 2.74Å; H234-D284 PolarHBondContact CE1-OD2 3.09Å; H234-D284 IonicContact ND1-OD2 2.66Å; H234-D284 PolarHBondContact ND1-OD2 3.45Å; R280-D284 WeakPolarHBondContact O-CB 3.35Å; R280-D284 PolarHBondContact O-N 3.27Å
285	N	94.2	Very high	93.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-108.2	-45.9	179.7	-79.7	-88.6	0	0	0	113.8	R136 F281 L282 Y283 F299 C301 R510 G557 F558	R136-N285 VanDerWaalsContact CZ-OD1 3.26Å; R136-N285 PolarHBondContact NH1-OD1 3.49Å; R136-N285 VanDerWaalsContact NH1-OD1 3.09Å; R136-N285 PolarHBondContact NH2-OD1 3.45Å; F281-N285 WeakPolarHBondContact CE2-ND2 3.49Å; F281-N285 PolarHBondContact O-N 3.16Å; F281-N285 PolarHBondContact O-ND2 3.48Å; L282-N285 PolarHBondContact O-N 3.19Å; Y283-N285 PolarHBondContact O-N 3.43Å; N285-F299 WeakPolarHBondContact O-CB 3.39Å; N285-C301 HydrophobicContact CB-CB 3.79Å; N285-R510 PolarHBondContact OD1-NH2 2.93Å; N285-G557 PolarHBondContact ND2-O 2.92Å; N285-G557 PolarHBondContact OD1-O 2.75Å; N285-F558 VanDerWaalsContact OD1-CB 3.31Å; N285-F558 WeakPolarHBondContact OD1-CB 3.49Å
286	L	94.9	Very high	93	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-89.5	-26.8	-173	-84.1	68.7	0	0	0	113.3	L282 F299 F318 V459 R486 V488	L282-L286 PolarHBondContact O-N 2.69Å; L286-F299 WeakPolarHBondContact CD1-O 3.41Å; L286-F299 WeakPolarHBondContact CG-O 3.4Å; L286-F318 HydrophobicContact CB-CE1 4.45Å; L286-F318 HydrophobicContact CB-CZ 3.74Å; L286-F318 HydrophobicContact CD2-CE1 3.68Å; L286-F318 HydrophobicContact CD2-CZ 3.83Å; L286-F318 HydrophobicContact CG-CZ 4.39Å; L286-V459 HydrophobicContact CD2-CG1 3.6Å; L286-V459 HydrophobicContact CD2-CG2 4.25Å; L286-R486 HydrophobicContact CB-CG 4.5Å; L286-R486 HydrophobicContact CD2-CB 4.22Å; L286-R486 HydrophobicContact CG-CB 4.09Å; L286-R486 HydrophobicContact CG-CG 4.25Å; L286-R486 PolarHBondContact O-NE 3.24Å; L286-V488 HydrophobicContact CD1-CG2 4.03Å; L286-V488 HydrophobicContact CD2-CG2 3.59Å; L286-V488 HydrophobicContact CG-CG2 4.47Å
287	V	93.6	Very high	92.6	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.018	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-55.1	-174.9	-172.9	0	0	0	0	111	Y283 S289 L290 F293 F318 L322 T326	Y283-V287 HydrophobicContact CD1-CB 4.24Å; Y283-V287 HydrophobicContact CD2-CB 4.01Å; Y283-V287 HydrophobicContact CD2-CG1 4.31Å; Y283-V287 HydrophobicContact CD2-CG2 4.01Å; Y283-V287 HydrophobicContact CE1-CB 4.16Å; Y283-V287 HydrophobicContact CE1-CG1 4.06Å; Y283-V287 HydrophobicContact CE2-CB 3.95Å; Y283-V287 HydrophobicContact CE2-CG1 3.72Å; Y283-V287 HydrophobicContact CE2-CG2 4.17Å; Y283-V287 HydrophobicContact CG-CB 4.16Å; Y283-V287 HydrophobicContact CG-CG2 4.45Å; Y283-V287 PolarHBondContact O-N 3.47Å; V287-S289 PolarHBondContact O-N 3.25Å; V287-L290 HydrophobicContact CG1-CD2 4.33Å; V287-F293 HydrophobicContact CB-CD2 4.4Å; V287-F293 HydrophobicContact CG1-CB 4.21Å; V287-F293 HydrophobicContact CG1-CD2 4.29Å; V287-F293 HydrophobicContact CG2-CD2 4.13Å; V287-F318 HydrophobicContact CG2-CE2 4.01Å; V287-F318 HydrophobicContact CG2-CZ 4.13Å; V287-L322 HydrophobicContact CG2-CD1 4.29Å; V287-T326 HydrophobicContact CG1-CG2 4.27Å; V287-T326 HydrophobicContact CG2-CG2 4.44Å
288	E	90.2	Very high	92.3	Very high	14 Å²	14	29.2 Å²	29.2	7%	0.065	15%	0.152	C	C	.	.	S	Bend	trans	60.1	-58	-167.5	-57.8	176.4	-132	0	0	113.5	R136 L140 Y283 R292 F299	R136-E288 WeakPolarHBondContact CG-OE1 3.39Å; L140-E288 HydrophobicContact CD2-CB 4.36Å; L140-E288 HydrophobicContact CD2-CG 4.27Å; Y283-E288 PolarHBondContact O-N 3.22Å; E288-R292 IonicContact OE1-CZ 2.78Å; E288-R292 IonicContact OE1-NH1 3.64Å; E288-R292 PolarHBondContact OE1-NH1 2.78Å; E288-R292 IonicContact OE2-CZ 3.83Å; E288-R292 IonicContact OE2-NE 2.66Å; E288-R292 IonicContact OE2-NH1 3.24Å; E288-R292 PolarHBondContact OE2-NH1 2.81Å; E288-F299 WeakPolarHBondContact OE1-CD2 3.49Å
289	S	90	Very high	92.1	Very high	11 Å²	11	29.4 Å²	29.4	8%	0.077	15%	0.153	C	C	.	.	S	Bend	trans	-148.4	155.6	173	112.9	0	0	0	0	110	E258 V287 E291 R292 F293	E258-S289 WeakPolarHBondContact OE1-CB 3.42Å; E258-S289 PolarHBondContact OE1-OG 2.99Å; V287-S289 PolarHBondContact O-N 3.25Å; S289-E291 VanDerWaalsContact C-N 3.26Å; S289-E291 PolarHBondContact O-N 3.06Å; S289-E291 PolarHBondContact OG-N 3.15Å; S289-R292 PolarHBondContact O-N 2.86Å; S289-R292 PolarHBondContact OG-N 3Å; S289-R292 VanDerWaalsContact OG-N 3.08Å; S289-F293 PolarHBondContact O-N 2.86Å
290	L	92	Very high	92.1	Very high	13 Å²	13	29.4 Å²	29.4	7%	0.068	15%	0.153	C	C	.	.	H	α-helix	trans	-64.2	-30.4	178.6	-56.6	-179.2	0	0	0	112.2	E258 E259 V261 Y283 V287 K294 H325 T326	E258-L290 HydrophobicContact CB-CD1 4.4Å; E258-L290 HydrophobicContact CG-CB 4.33Å; E258-L290 PolarHBondContact OE1-N 3.16Å; E258-L290 PolarHBondContact OE2-N 3.42Å; E259-L290 HydrophobicContact CG-CD1 3.9Å; V261-L290 HydrophobicContact CG2-CD1 4.35Å; V261-L290 HydrophobicContact CG2-CD2 4.49Å; Y283-L290 WeakPolarHBondContact OH-CD2 3.12Å; V287-L290 HydrophobicContact CG1-CD2 4.33Å; L290-K294 WeakPolarHBondContact O-CD 3.38Å; L290-K294 WeakPolarHBondContact O-CE 3.47Å; L290-K294 WeakPolarHBondContact O-CG 3.34Å; L290-H325 HydrophobicContact CD2-CB 4.02Å; L290-T326 HydrophobicContact CD2-CG2 4.31Å
291	E	89.8	Confident	92.2	Very high	135 Å²	135	28.9 Å²	28.9	63%	0.631	15%	0.151	S	C	*	.	H	α-helix	trans	-71	-46.3	168	-63.5	-147.1	134.4	0	0	112.9	E258 S289 F293 K294 T295	E258-E291 PolarHBondContact OE1-N 3.05Å; S289-E291 VanDerWaalsContact C-N 3.26Å; S289-E291 PolarHBondContact O-N 3.06Å; S289-E291 PolarHBondContact OG-N 3.15Å; E291-F293 VanDerWaalsContact C-N 3.26Å; E291-F293 PolarHBondContact O-N 2.79Å; E291-K294 PolarHBondContact O-N 2.78Å; E291-T295 PolarHBondContact O-OG1 3.05Å
292	R	89.7	Confident	92.3	Very high	52 Å²	52	28.9 Å²	28.9	20%	0.196	15%	0.151	C	C	.	.	H	α-helix	trans	-65.9	-30.3	-178	-167.6	163	-165.1	-122.4	-23.3	112.2	R139 E288 S289 K294 T295 S296	R139-R292 VanDerWaalsContact NE-NH1 3.17Å; E288-R292 IonicContact OE1-CZ 2.78Å; E288-R292 IonicContact OE1-NH1 3.64Å; E288-R292 PolarHBondContact OE1-NH1 2.78Å; E288-R292 IonicContact OE2-CZ 3.83Å; E288-R292 IonicContact OE2-NE 2.66Å; E288-R292 IonicContact OE2-NH1 3.24Å; E288-R292 PolarHBondContact OE2-NH1 2.81Å; S289-R292 PolarHBondContact O-N 2.86Å; S289-R292 PolarHBondContact OG-N 3Å; S289-R292 VanDerWaalsContact OG-N 3.08Å; R292-K294 VanDerWaalsContact C-N 3.32Å; R292-K294 PolarHBondContact O-N 2.81Å; R292-T295 PolarHBondContact O-N 3.1Å; R292-T295 PolarHBondContact O-OG1 2.81Å; R292-S296 WeakPolarHBondContact O-CB 3.3Å; R292-S296 PolarHBondContact O-N 2.83Å
293	F	92.5	Very high	92.3	Very high	10 Å²	10	28.8 Å²	28.8	4%	0.044	15%	0.15	C	C	.	.	H	α-helix	trans	-58.5	-43.6	173.9	-170.5	-80.3	0	0	0	112.5	V287 S289 E291 T295 L322 T326 P327 A328 R486	V287-F293 HydrophobicContact CB-CD2 4.4Å; V287-F293 HydrophobicContact CG1-CB 4.21Å; V287-F293 HydrophobicContact CG1-CD2 4.29Å; V287-F293 HydrophobicContact CG2-CD2 4.13Å; S289-F293 PolarHBondContact O-N 2.86Å; E291-F293 VanDerWaalsContact C-N 3.26Å; E291-F293 PolarHBondContact O-N 2.79Å; F293-T295 VanDerWaalsContact C-N 3.29Å; F293-T295 PolarHBondContact O-N 2.82Å; F293-L322 HydrophobicContact CD2-CD1 4.49Å; F293-L322 HydrophobicContact CE2-CD1 3.68Å; F293-L322 HydrophobicContact CZ-CD1 4.11Å; F293-T326 HydrophobicContact CD1-CG2 4.43Å; F293-T326 HydrophobicContact CD2-CG2 4.1Å; F293-T326 HydrophobicContact CE2-CG2 4.42Å; F293-T326 HydrophobicContact CG-CG2 4.12Å; F293-P327 HydrophobicContact CD1-CG 3.98Å; F293-P327 HydrophobicContact CE1-CG 4.1Å; F293-A328 HydrophobicContact CE1-CB 4.28Å; F293-A328 HydrophobicContact CZ-CB 3.9Å; F293-R486 VanDerWaalsContact CE2-NE 3.25Å; F293-R486 PolarHBondContact O-NH2 2.78Å
294	K	91.2	Very high	92.3	Very high	134 Å²	134	28.6 Å²	28.6	58%	0.583	15%	0.149	S	C	*	.	H	α-helix	trans	-68.3	-25.8	-176	-62.4	160.1	-170.6	159.2	0	113.3	L290 E291 R292 P327	L290-K294 WeakPolarHBondContact O-CD 3.38Å; L290-K294 WeakPolarHBondContact O-CE 3.47Å; L290-K294 WeakPolarHBondContact O-CG 3.34Å; E291-K294 PolarHBondContact O-N 2.78Å; R292-K294 VanDerWaalsContact C-N 3.32Å; R292-K294 PolarHBondContact O-N 2.81Å; K294-P327 HydrophobicContact CG-CG 4.15Å
295	T	89.6	Confident	92.3	Very high	123 Å²	123	27.7 Å²	27.7	76%	0.755	15%	0.145	S	C	*	.	H	α-helix	trans	-109.6	-20.4	-172.5	51.5	0	0	0	0	113.7	E291 R292 F293	E291-T295 PolarHBondContact O-OG1 3.05Å; R292-T295 PolarHBondContact O-N 3.1Å; R292-T295 PolarHBondContact O-OG1 2.81Å; F293-T295 VanDerWaalsContact C-N 3.29Å; F293-T295 PolarHBondContact O-N 2.82Å
296	S	89.4	Confident	92	Very high	21 Å²	21	27.8 Å²	27.8	15%	0.147	15%	0.145	C	C	.	.			trans	-106.1	145.9	-178.1	-170.2	0	0	0	0	112.7	R292 G298 R486	R292-S296 WeakPolarHBondContact O-CB 3.3Å; R292-S296 PolarHBondContact O-N 2.83Å; S296-G298 PolarHBondContact O-N 2.91Å; S296-G298 VanDerWaalsContact O-N 3.16Å; S296-G298 PolarHBondContact OG-N 3.36Å; S296-G298 VanDerWaalsContact OG-N 3.09Å; S296-R486 PolarHBondContact O-NH1 3.46Å; S296-R486 VanDerWaalsContact O-NH1 3.08Å; S296-R486 PolarHBondContact O-NH2 3.14Å
297	S	86.7	Confident	91.5	Very high	59 Å²	59	28.1 Å²	28.1	41%	0.413	15%	0.147	S	C	.	.			trans	-59.1	-16.1	162.1	57.7	0	0	0	0	113.7	R485 R486	S297-R485 WeakPolarHBondContact OG-CD 3.13Å; S297-R485 PolarHBondContact OG-NH1 3.14Å; S297-R486 PolarHBondContact O-NH1 3.36Å
298	G	87.3	Confident	90.9	Very high	2 Å²	2	29 Å²	29	2%	0.021	16%	0.157	C	C	.	.			trans	68.8	-173.7	-176.9	0	0	0	0	0	113.7	S296 R485	S296-G298 PolarHBondContact O-N 2.91Å; S296-G298 VanDerWaalsContact O-N 3.16Å; S296-G298 PolarHBondContact OG-N 3.36Å; S296-G298 VanDerWaalsContact OG-N 3.09Å; G298-R485 WeakPolarHBondContact O-CB 3.4Å
299	F	93.2	Very high	90.7	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.018	15%	0.154	C	C	.	.			trans	-134.5	156.1	-175.5	-72.2	-75.7	0	0	0	110.9	E132 R136 N285 L286 E288 R485	E132-F299 HydrophobicContact CB-CE1 4.47Å; E132-F299 HydrophobicContact CB-CZ 4.3Å; E132-F299 HydrophobicContact CG-CE1 4.17Å; E132-F299 HydrophobicContact CG-CZ 3.75Å; E132-F299 WeakPolarHBondContact OE1-CZ 2.98Å; R136-F299 HydrophobicContact CB-CE2 4.07Å; R136-F299 HydrophobicContact CB-CZ 4.43Å; R136-F299 VanDerWaalsContact CD-CD2 3.45Å; R136-F299 HydrophobicContact CG-CD2 4.22Å; R136-F299 HydrophobicContact CG-CE2 3.97Å; N285-F299 WeakPolarHBondContact O-CB 3.39Å; L286-F299 WeakPolarHBondContact CD1-O 3.41Å; L286-F299 WeakPolarHBondContact CG-O 3.4Å; E288-F299 WeakPolarHBondContact OE1-CD2 3.49Å; F299-R485 CarbonylContact C-O 3.56Å
300	G	95.3	Very high	90.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.163	C	C	.	.			trans	-89	-178.6	171	0	0	0	0	0	114.3	R485 R487 R510	G300-R485 PolarHBondContact N-O 2.71Å; G300-R485 VanDerWaalsContact N-O 3.12Å; G300-R487 CarbonylContact C-O 3.55Å; G300-R487 WeakPolarHBondContact CA-O 3.44Å; G300-R510 PolarHBondContact O-NH1 2.7Å
301	C	97	Very high	90.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	167.2	168.1	58.1	0	0	0	0	112.4	F281 N285 R487 V488 V489 V509 F558	F281-C301 HydrophobicContact CE1-CB 3.75Å; F281-C301 HydrophobicContact CZ-CB 3.68Å; N285-C301 HydrophobicContact CB-CB 3.79Å; C301-R487 PolarHBondContact N-O 3.44Å; C301-V488 WeakPolarHBondContact O-CA 3.37Å; C301-V489 PolarHBondContact O-N 3.06Å; C301-V509 VanDerWaalsContact N-CG1 3.27Å; C301-F558 CarbonylContact C-O 3.58Å; C301-F558 VanDerWaalsContact CA-O 3.23Å; C301-F558 WeakPolarHBondContact CA-O 3.17Å; C301-F558 VanDerWaalsContact CB-O 3.27Å; C301-F558 WeakPolarHBondContact CB-O 3.41Å
302	I	97.4	Very high	90.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	116.3	174.8	-51.9	-178.1	0	0	0	109.2	A304 V489 T491 M505 V506 V509 F558 V559 Q560	I302-A304 HydrophobicContact CG2-CB 4.2Å; I302-A304 PolarHBondContact O-N 3.46Å; I302-V489 CarbonylContact C-O 3.56Å; I302-V489 WeakPolarHBondContact CA-O 3.47Å; I302-V489 HydrophobicContact CG1-CB 4.29Å; I302-V489 HydrophobicContact CG2-CB 4.33Å; I302-V489 HydrophobicContact CG2-CG1 4.2Å; I302-T491 HydrophobicContact CG2-CG2 4.28Å; I302-M505 HydrophobicContact CD1-CG 4.06Å; I302-M505 HydrophobicContact CD1-SD 4.27Å; I302-M505 HydrophobicContact CG2-SD 4.3Å; I302-V506 HydrophobicContact CD1-CG2 3.87Å; I302-V509 HydrophobicContact CG1-CB 4.3Å; I302-V509 HydrophobicContact CG1-CG1 4.2Å; I302-V509 HydrophobicContact CG1-CG2 4.01Å; I302-F558 PolarHBondContact N-O 2.75Å; I302-V559 HydrophobicContact CB-CB 4.45Å; I302-V559 HydrophobicContact CB-CG1 4.18Å; I302-V559 HydrophobicContact CB-CG2 4.09Å; I302-V559 HydrophobicContact CD1-CG2 4.03Å; I302-V559 HydrophobicContact CG1-CG2 4.23Å; I302-V559 HydrophobicContact CG2-CG1 4.45Å; I302-V559 WeakPolarHBondContact O-CA 3.46Å; I302-Q560 PolarHBondContact O-N 2.56Å
303	L	97	Very high	91.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	80.3	171.5	-166.2	72	0	0	0	108.8	F281 H305 K311 Q314 V489 L490 T491 Q560	F281-L303 HydrophobicContact CD1-CD1 4.08Å; F281-L303 HydrophobicContact CE1-CD1 4.36Å; L303-H305 VanDerWaalsContact CD1-CE1 3.48Å; L303-H305 WeakPolarHBondContact CD1-CE1 3.41Å; L303-H305 HydrophobicContact CG-CB 4.48Å; L303-H305 PolarHBondContact O-N 3.08Å; L303-K311 HydrophobicContact CD2-CB 4.29Å; L303-K311 HydrophobicContact CD2-CD 4.39Å; L303-K311 HydrophobicContact CD2-CG 4.12Å; L303-K311 HydrophobicContact CG-CD 4.48Å; L303-K311 VanDerWaalsContact O-CD 3.31Å; L303-K311 WeakPolarHBondContact O-CD 3.46Å; L303-Q314 HydrophobicContact CD2-CB 4.3Å; L303-V489 PolarHBondContact N-O 3.07Å; L303-L490 HydrophobicContact CB-CD2 3.93Å; L303-L490 HydrophobicContact CD2-CD2 4.04Å; L303-T491 PolarHBondContact O-N 2.71Å; L303-Q560 VanDerWaalsContact CD1-OE1 3.29Å
304	A	94.9	Very high	91.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.13	C	C	.	.			trans	-79.4	30	-176.3	0	0	0	0	0	113.3	I302 S306 T491 P494 V559 Q560 R561	I302-A304 HydrophobicContact CG2-CB 4.2Å; I302-A304 PolarHBondContact O-N 3.46Å; A304-S306 PolarHBondContact O-N 3.06Å; A304-T491 CarbonylContact C-O 3.13Å; A304-T491 WeakPolarHBondContact CA-O 3.11Å; A304-T491 HydrophobicContact CB-CG2 4.42Å; A304-P494 HydrophobicContact CB-CB 4.38Å; A304-P494 HydrophobicContact CB-CG 4.04Å; A304-V559 HydrophobicContact CB-CG1 4.23Å; A304-Q560 WeakPolarHBondContact CA-O 3.4Å; A304-Q560 WeakPolarHBondContact CB-O 3.24Å; A304-Q560 PolarHBondContact N-O 3.09Å; A304-R561 WeakPolarHBondContact O-CD 3.44Å; A304-R561 PolarHBondContact O-NH1 3.04Å
305	H	92.9	Very high	91.6	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-66.5	129.4	179.5	-70.4	-178.5	0	0	0	110.5	L303 L309 K311 Q314 T491 Q560 R562	L303-H305 VanDerWaalsContact CD1-CE1 3.48Å; L303-H305 WeakPolarHBondContact CD1-CE1 3.41Å; L303-H305 HydrophobicContact CG-CB 4.48Å; L303-H305 PolarHBondContact O-N 3.08Å; H305-L309 HydrophobicContact CB-CB 4.39Å; H305-L309 HydrophobicContact CB-CD1 4.15Å; H305-K311 HydrophobicContact CB-CD 4.11Å; H305-K311 HydrophobicContact CB-CG 3.9Å; H305-K311 PolarHBondContact O-NZ 2.84Å; H305-Q314 PolarHBondContact CE1-OE1 3.08Å; H305-Q314 VanDerWaalsContact CE1-OE1 3.26Å; H305-Q314 PolarHBondContact ND1-OE1 2.97Å; H305-T491 VanDerWaalsContact O-O 3.06Å; H305-Q560 WeakPolarHBondContact NE2-CG 3.45Å; H305-Q560 PolarHBondContact NE2-OE1 3.42Å; H305-R562 VanDerWaalsContact NE2-CG 3.27Å; H305-R562 WeakPolarHBondContact NE2-CG 3.44Å
306	S	88.3	Confident	92	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.007	7%	0.067	C	C	.	.	P	Polyproline II helix	trans	-48.3	157.7	178.6	-58.6	0	0	0	0	113.4	A304 L309 R562 G563 H564	A304-S306 PolarHBondContact O-N 3.06Å; S306-L309 WeakPolarHBondContact O-CB 3.45Å; S306-L309 PolarHBondContact O-N 2.97Å; S306-R562 WeakPolarHBondContact CB-O 3.44Å; S306-R562 PolarHBondContact N-O 3.34Å; S306-R562 VanDerWaalsContact N-O 3.08Å; S306-R562 PolarHBondContact OG-O 3.48Å; S306-G563 VanDerWaalsContact OG-CA 3.29Å; S306-G563 WeakPolarHBondContact OG-CA 3.07Å; S306-H564 PolarHBondContact OG-N 2.82Å
307	M	84.2	Confident	92.3	Very high	9 Å²	9	8.1 Å²	8.1	4%	0.044	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	150.2	176	-77.8	-160.1	150.8	0	0	111.9	L309 E464 Y493 Q845 C848	M307-L309 PolarHBondContact O-N 2.85Å; M307-L309 VanDerWaalsContact O-N 3.16Å; M307-E464 WeakPolarHBondContact CE-OE1 3.32Å; M307-Y493 HydrophobicContact CG-CE2 4.19Å; M307-Y493 HydrophobicContact SD-CE2 4.4Å; M307-Q845 HydrophobicContact CE-CB 4.26Å; M307-Q845 HydrophobicContact CE-CG 3.58Å; M307-Q845 HydrophobicContact SD-CB 4.17Å; M307-Q845 HydrophobicContact SD-CG 3.81Å; M307-C848 HydrophobicContact CB-CB 3.97Å; M307-C848 HydrophobicContact SD-CB 3.89Å
308	G	79.6	Confident	92.8	Very high	22 Å²	22	5.5 Å²	5.5	23%	0.227	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	-17.7	-178	0	0	0	0	0	115.8	G310 Y853	G308-G310 PolarHBondContact O-N 2.88Å; G308-Y853 VanDerWaalsContact O-CD2 3.24Å; G308-Y853 WeakPolarHBondContact O-CD2 3.48Å; G308-Y853 VanDerWaalsContact O-CE2 3.28Å; G308-Y853 WeakPolarHBondContact O-CE2 3.44Å
309	L	86.5	Confident	93.3	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	4%	0.04	C	C	.	.	S	Bend	trans	-70.4	0.9	-178.8	-68	179.9	0	0	0	115.5	H274 Q275 H305 S306 M307 Q314 R562 V566 L567	H274-L309 PolarHBondContact NE2-O 3.32Å; Q275-L309 PolarHBondContact NE2-O 2.83Å; H305-L309 HydrophobicContact CB-CB 4.39Å; H305-L309 HydrophobicContact CB-CD1 4.15Å; S306-L309 WeakPolarHBondContact O-CB 3.45Å; S306-L309 PolarHBondContact O-N 2.97Å; M307-L309 PolarHBondContact O-N 2.85Å; M307-L309 VanDerWaalsContact O-N 3.16Å; L309-Q314 PolarHBondContact O-NE2 3.05Å; L309-R562 HydrophobicContact CD1-CB 3.85Å; L309-R562 WeakPolarHBondContact CD1-O 3.42Å; L309-V566 HydrophobicContact CD2-CB 3.89Å; L309-V566 HydrophobicContact CD2-CG1 3.89Å; L309-L567 HydrophobicContact CD2-CD2 3.72Å; L309-L567 HydrophobicContact CD2-CG 3.74Å
310	G	87.5	Confident	93.4	Very high	26 Å²	26	5.4 Å²	5.4	27%	0.268	4%	0.04	S	C	.	.			trans	73.7	52.4	174.7	0	0	0	0	0	114.5	G308 T312 Q314	G308-G310 PolarHBondContact O-N 2.88Å; G310-T312 VanDerWaalsContact C-N 3.32Å; G310-T312 PolarHBondContact O-N 2.69Å; G310-Q314 VanDerWaalsContact C-NE2 3.25Å; G310-Q314 PolarHBondContact O-NE2 2.79Å
311	K	93.4	Very high	93.4	Very high	17 Å²	17	5.5 Å²	5.5	7%	0.074	4%	0.04	C	C	.	.	H	α-helix	trans	-59.1	-40.7	177.9	-71.2	-165.6	-67.7	-83.4	0	112.6	L303 H305 L313 Q314 V315 L490 T491	L303-K311 HydrophobicContact CD2-CB 4.29Å; L303-K311 HydrophobicContact CD2-CD 4.39Å; L303-K311 HydrophobicContact CD2-CG 4.12Å; L303-K311 HydrophobicContact CG-CD 4.48Å; L303-K311 VanDerWaalsContact O-CD 3.31Å; L303-K311 WeakPolarHBondContact O-CD 3.46Å; H305-K311 HydrophobicContact CB-CD 4.11Å; H305-K311 HydrophobicContact CB-CG 3.9Å; H305-K311 PolarHBondContact O-NZ 2.84Å; K311-L313 PolarHBondContact O-N 3.3Å; K311-Q314 WeakPolarHBondContact O-CB 3.42Å; K311-Q314 PolarHBondContact O-N 3.47Å; K311-Q314 VanDerWaalsContact O-N 3.14Å; K311-V315 PolarHBondContact O-N 3.3Å; K311-V315 VanDerWaalsContact O-N 3.09Å; K311-L490 HydrophobicContact CD-CB 4.05Å; K311-T491 PolarHBondContact NZ-O 2.87Å
312	T	94.7	Very high	93.4	Very high	20 Å²	20	5.5 Å²	5.5	12%	0.123	4%	0.041	C	C	.	.	H	α-helix	trans	-55.4	-50	-180	-38.1	0	0	0	0	111.9	G310 Q314 V315 I316 W343 E346	G310-T312 VanDerWaalsContact C-N 3.32Å; G310-T312 PolarHBondContact O-N 2.69Å; T312-Q314 VanDerWaalsContact C-N 3.34Å; T312-Q314 PolarHBondContact O-N 3.42Å; T312-V315 PolarHBondContact O-N 3.27Å; T312-V315 VanDerWaalsContact O-N 3.15Å; T312-I316 HydrophobicContact CG2-CD1 3.89Å; T312-I316 VanDerWaalsContact O-CG1 3.31Å; T312-I316 WeakPolarHBondContact O-CG1 3.38Å; T312-I316 PolarHBondContact O-N 3.4Å; T312-W343 HydrophobicContact CG2-CD2 3.79Å; T312-W343 HydrophobicContact CG2-CE3 3.7Å; T312-W343 HydrophobicContact CG2-CG 4.5Å; T312-W343 HydrophobicContact CG2-CH2 3.93Å; T312-W343 HydrophobicContact CG2-CZ2 3.99Å; T312-W343 HydrophobicContact CG2-CZ3 3.78Å; T312-E346 HydrophobicContact CG2-CB 3.93Å; T312-E346 HydrophobicContact CG2-CG 4Å
313	L	94.8	Very high	93.3	Very high	10 Å²	10	7.4 Å²	7.4	5%	0.052	5%	0.049	C	C	.	.	H	α-helix	trans	-59	-39.7	176.2	173.5	58.7	0	0	0	113.1	L267 V271 K311 V315 S317 W350	L267-L313 HydrophobicContact CD2-CD1 4.02Å; V271-L313 HydrophobicContact CG1-CD1 4.33Å; V271-L313 HydrophobicContact CG1-CD2 4.04Å; V271-L313 HydrophobicContact CG1-CG 4.03Å; K311-L313 PolarHBondContact O-N 3.3Å; L313-V315 VanDerWaalsContact C-N 3.33Å; L313-V315 PolarHBondContact O-N 2.87Å; L313-S317 VanDerWaalsContact O-CB 3.28Å; L313-S317 WeakPolarHBondContact O-CB 3.37Å; L313-S317 PolarHBondContact O-N 2.79Å; L313-S317 PolarHBondContact O-OG 3.24Å; L313-W350 HydrophobicContact CD1-CB 4.43Å; L313-W350 HydrophobicContact CD1-CD2 3.67Å; L313-W350 HydrophobicContact CD1-CE3 4.13Å; L313-W350 HydrophobicContact CD1-CG 3.8Å; L313-W350 HydrophobicContact CD1-CZ2 4.45Å; L313-W350 HydrophobicContact CD2-CH2 4.36Å; L313-W350 HydrophobicContact CD2-CZ2 4.13Å
314	Q	96.9	Very high	93.1	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-62.6	-42.4	176.7	-70.4	156.4	78.1	0	0	111.1	Q275 I279 L303 H305 L309 G310 K311 T312 F318	Q275-Q314 HydrophobicContact CB-CG 3.57Å; Q275-Q314 HydrophobicContact CG-CG 4.02Å; I279-Q314 HydrophobicContact CG1-CB 4.21Å; I279-Q314 HydrophobicContact CG1-CG 4.45Å; I279-Q314 WeakPolarHBondContact CG1-O 3.47Å; L303-Q314 HydrophobicContact CD2-CB 4.3Å; H305-Q314 PolarHBondContact CE1-OE1 3.08Å; H305-Q314 VanDerWaalsContact CE1-OE1 3.26Å; H305-Q314 PolarHBondContact ND1-OE1 2.97Å; L309-Q314 PolarHBondContact O-NE2 3.05Å; G310-Q314 VanDerWaalsContact C-NE2 3.25Å; G310-Q314 PolarHBondContact O-NE2 2.79Å; K311-Q314 WeakPolarHBondContact O-CB 3.42Å; K311-Q314 PolarHBondContact O-N 3.47Å; K311-Q314 VanDerWaalsContact O-N 3.14Å; T312-Q314 VanDerWaalsContact C-N 3.34Å; T312-Q314 PolarHBondContact O-N 3.42Å; Q314-F318 WeakPolarHBondContact O-CB 3.37Å; Q314-F318 PolarHBondContact O-N 3.25Å
315	V	97.5	Very high	93.1	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.006	7%	0.07	C	C	.	.	H	α-helix	trans	-70.8	-45	179.1	172.3	0	0	0	0	111.7	L282 K311 T312 L313 S317 F318 I319 W343 I461 L490	L282-V315 HydrophobicContact CD1-CG2 4.32Å; K311-V315 PolarHBondContact O-N 3.3Å; K311-V315 VanDerWaalsContact O-N 3.09Å; T312-V315 PolarHBondContact O-N 3.27Å; T312-V315 VanDerWaalsContact O-N 3.15Å; L313-V315 VanDerWaalsContact C-N 3.33Å; L313-V315 PolarHBondContact O-N 2.87Å; V315-S317 VanDerWaalsContact C-N 3.3Å; V315-S317 PolarHBondContact O-N 2.82Å; V315-F318 PolarHBondContact O-N 3.34Å; V315-F318 VanDerWaalsContact O-N 3.16Å; V315-I319 HydrophobicContact CG1-CD1 3.78Å; V315-I319 HydrophobicContact CG1-CG1 4.39Å; V315-I319 VanDerWaalsContact O-CG1 3.28Å; V315-I319 WeakPolarHBondContact O-CG1 3.37Å; V315-I319 PolarHBondContact O-N 3.03Å; V315-W343 HydrophobicContact CB-CH2 4.23Å; V315-W343 HydrophobicContact CG1-CH2 3.99Å; V315-W343 HydrophobicContact CG1-CZ3 4.11Å; V315-I461 HydrophobicContact CG1-CD1 3.64Å; V315-I461 HydrophobicContact CG1-CG1 4.39Å; V315-I461 HydrophobicContact CG1-CG2 4.34Å; V315-L490 HydrophobicContact CG2-CD1 3.88Å; V315-L490 HydrophobicContact CG2-CD2 3.56Å; V315-L490 HydrophobicContact CG2-CG 4.35Å
316	I	97.2	Very high	93.1	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-58.9	-43.3	175.7	-69.4	172	0	0	0	110.6	T312 F318 I319 D320 E346 F347 W350 L351	T312-I316 HydrophobicContact CG2-CD1 3.89Å; T312-I316 VanDerWaalsContact O-CG1 3.31Å; T312-I316 WeakPolarHBondContact O-CG1 3.38Å; T312-I316 PolarHBondContact O-N 3.4Å; I316-F318 VanDerWaalsContact C-N 3.33Å; I316-F318 PolarHBondContact O-N 3.26Å; I316-I319 PolarHBondContact O-N 2.82Å; I316-D320 PolarHBondContact O-N 3.44Å; I316-D320 VanDerWaalsContact O-N 3.08Å; I316-E346 HydrophobicContact CD1-CB 3.64Å; I316-F347 HydrophobicContact CB-CE1 4.37Å; I316-F347 HydrophobicContact CD1-CD1 4.29Å; I316-F347 HydrophobicContact CD1-CD2 4.4Å; I316-F347 HydrophobicContact CD1-CG 4.2Å; I316-F347 HydrophobicContact CG1-CD1 3.97Å; I316-F347 HydrophobicContact CG1-CD2 4.44Å; I316-F347 HydrophobicContact CG1-CE1 3.79Å; I316-F347 HydrophobicContact CG1-CE2 4.26Å; I316-F347 HydrophobicContact CG1-CG 4.29Å; I316-F347 HydrophobicContact CG1-CZ 3.94Å; I316-F347 HydrophobicContact CG2-CD1 4.07Å; I316-F347 HydrophobicContact CG2-CE1 4.18Å; I316-W350 HydrophobicContact CG2-CB 4.2Å; I316-L351 HydrophobicContact CG2-CD1 3.48Å; I316-L351 VanDerWaalsContact CG2-CD1 3.48Å; I316-L351 HydrophobicContact CG2-CG 3.94Å
317	S	97.1	Very high	93.4	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.6	-34.4	176.9	-56.2	0	0	0	0	113.1	I279 L313 V315 V321	I279-S317 VanDerWaalsContact CD1-CB 3.48Å; L313-S317 VanDerWaalsContact O-CB 3.28Å; L313-S317 WeakPolarHBondContact O-CB 3.37Å; L313-S317 PolarHBondContact O-N 2.79Å; L313-S317 PolarHBondContact O-OG 3.24Å; V315-S317 VanDerWaalsContact C-N 3.3Å; V315-S317 PolarHBondContact O-N 2.82Å; S317-V321 PolarHBondContact O-N 3.46Å
318	F	97.2	Very high	93.8	Very high	4 Å²	4	17 Å²	17	2%	0.018	10%	0.1	C	C	.	.	H	α-helix	trans	-71.8	-38.3	173.4	171.7	-99.2	0	0	0	112.4	L282 L286 V287 Q314 V315 I316 V321 L322	L282-F318 HydrophobicContact CB-CB 4.28Å; L282-F318 HydrophobicContact CB-CD1 4.32Å; L282-F318 HydrophobicContact CB-CD2 3.63Å; L282-F318 HydrophobicContact CB-CE2 4.05Å; L282-F318 HydrophobicContact CB-CG 3.79Å; L282-F318 HydrophobicContact CD1-CB 3.63Å; L282-F318 HydrophobicContact CD1-CD1 4.31Å; L282-F318 HydrophobicContact CD1-CG 3.9Å; L282-F318 HydrophobicContact CG-CG 4.47Å; L286-F318 HydrophobicContact CB-CE1 4.45Å; L286-F318 HydrophobicContact CB-CZ 3.74Å; L286-F318 HydrophobicContact CD2-CE1 3.68Å; L286-F318 HydrophobicContact CD2-CZ 3.83Å; L286-F318 HydrophobicContact CG-CZ 4.39Å; V287-F318 HydrophobicContact CG2-CE2 4.01Å; V287-F318 HydrophobicContact CG2-CZ 4.13Å; Q314-F318 WeakPolarHBondContact O-CB 3.37Å; Q314-F318 PolarHBondContact O-N 3.25Å; V315-F318 PolarHBondContact O-N 3.34Å; V315-F318 VanDerWaalsContact O-N 3.16Å; I316-F318 VanDerWaalsContact C-N 3.33Å; I316-F318 PolarHBondContact O-N 3.26Å; F318-V321 PolarHBondContact O-N 3.2Å; F318-L322 HydrophobicContact CE1-CB 4.43Å; F318-L322 HydrophobicContact CE1-CD1 4.47Å; F318-L322 HydrophobicContact CE1-CD2 4.29Å; F318-L322 HydrophobicContact CZ-CB 4.5Å; F318-L322 HydrophobicContact CZ-CD1 4.12Å; F318-L322 VanDerWaalsContact O-CB 3.29Å; F318-L322 WeakPolarHBondContact O-CB 3.32Å; F318-L322 PolarHBondContact O-N 2.97Å
319	I	97.4	Very high	94.6	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-64.2	-40.6	177.7	-71	166.9	0	0	0	111.5	V315 I316 L322 F323 V331 F347 F371 V399 I461	V315-I319 HydrophobicContact CG1-CD1 3.78Å; V315-I319 HydrophobicContact CG1-CG1 4.39Å; V315-I319 VanDerWaalsContact O-CG1 3.28Å; V315-I319 WeakPolarHBondContact O-CG1 3.37Å; V315-I319 PolarHBondContact O-N 3.03Å; I316-I319 PolarHBondContact O-N 2.82Å; I319-L322 WeakPolarHBondContact O-CB 3.46Å; I319-L322 PolarHBondContact O-N 2.79Å; I319-F323 HydrophobicContact CG2-CD2 3.56Å; I319-F323 HydrophobicContact CG2-CE2 3.45Å; I319-F323 VanDerWaalsContact CG2-CE2 3.45Å; I319-F323 WeakPolarHBondContact O-CD2 2.91Å; I319-F323 PolarHBondContact O-N 2.92Å; I319-V331 HydrophobicContact CD1-CG1 4.11Å; I319-V331 HydrophobicContact CG1-CG1 4.37Å; I319-F347 HydrophobicContact CD1-CE1 4.28Å; I319-F347 HydrophobicContact CD1-CZ 3.76Å; I319-F347 HydrophobicContact CG2-CE1 4.47Å; I319-F371 HydrophobicContact CG2-CE1 4.3Å; I319-F371 HydrophobicContact CG2-CE2 4.17Å; I319-F371 HydrophobicContact CG2-CZ 3.87Å; I319-V399 HydrophobicContact CG2-CG2 3.94Å; I319-I461 HydrophobicContact CD1-CD1 3.73Å; I319-I461 HydrophobicContact CG1-CD1 4.31Å
320	D	95.6	Very high	95.1	Very high	2 Å²	2	24 Å²	24	1%	0.011	13%	0.126	C	C	.	.	H	α-helix	trans	-55.8	-53	171.8	170.1	50.2	0	0	0	111.8	L267 I316 L322 F323 R324 L351	L267-D320 HydrophobicContact CD1-CB 4.2Å; I316-D320 PolarHBondContact O-N 3.44Å; I316-D320 VanDerWaalsContact O-N 3.08Å; D320-L322 VanDerWaalsContact C-N 3.34Å; D320-L322 PolarHBondContact O-N 2.94Å; D320-F323 PolarHBondContact O-N 2.81Å; D320-R324 VanDerWaalsContact CG-NE 3.27Å; D320-R324 WeakPolarHBondContact O-CB 3.41Å; D320-R324 WeakPolarHBondContact O-CG 3.43Å; D320-R324 PolarHBondContact O-N 3.04Å; D320-R324 WeakPolarHBondContact OD1-CD 3.26Å; D320-R324 IonicContact OD1-CZ 2.59Å; D320-R324 IonicContact OD1-NE 3.6Å; D320-R324 PolarHBondContact OD1-NE 3.02Å; D320-R324 IonicContact OD1-NH2 3.67Å; D320-R324 IonicContact OD2-CZ 3.68Å; D320-R324 IonicContact OD2-NE 2.63Å; D320-R324 PolarHBondContact OD2-NE 2.81Å; D320-R324 IonicContact OD2-NH2 3.14Å; D320-R324 PolarHBondContact OD2-NH2 3.29Å; D320-L351 HydrophobicContact CB-CD1 3.76Å; D320-L351 HydrophobicContact CB-CD2 4.33Å
321	V	94.9	Very high	95.5	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.012	11%	0.113	C	C	.	.	H	α-helix	trans	-58.3	-44	174.9	161.1	0	0	0	0	112.3	V250 V261 L263 Y283 S317 F318 R324 H325	V250-V321 HydrophobicContact CG2-CG2 4.35Å; V261-V321 HydrophobicContact CG1-CB 4.34Å; V261-V321 HydrophobicContact CG1-CG1 3.4Å; V261-V321 VanDerWaalsContact CG1-CG1 3.4Å; V261-V321 HydrophobicContact CG1-CG2 4.06Å; L263-V321 HydrophobicContact CD2-CG2 3.77Å; Y283-V321 HydrophobicContact CD2-CG1 4.22Å; Y283-V321 HydrophobicContact CE2-CG1 4.33Å; S317-V321 PolarHBondContact O-N 3.46Å; F318-V321 PolarHBondContact O-N 3.2Å; V321-R324 PolarHBondContact O-N 2.91Å; V321-H325 PolarHBondContact O-N 2.85Å
322	L	95.9	Very high	95.7	Very high	1 Å²	1	22 Å²	22	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-59	-51.2	-179.2	-177.5	74.7	0	0	0	111	V287 F293 F318 I319 D320 T326 A328 V331 V459	V287-L322 HydrophobicContact CG2-CD1 4.29Å; F293-L322 HydrophobicContact CD2-CD1 4.49Å; F293-L322 HydrophobicContact CE2-CD1 3.68Å; F293-L322 HydrophobicContact CZ-CD1 4.11Å; F318-L322 HydrophobicContact CE1-CB 4.43Å; F318-L322 HydrophobicContact CE1-CD1 4.47Å; F318-L322 HydrophobicContact CE1-CD2 4.29Å; F318-L322 HydrophobicContact CZ-CB 4.5Å; F318-L322 HydrophobicContact CZ-CD1 4.12Å; F318-L322 VanDerWaalsContact O-CB 3.29Å; F318-L322 WeakPolarHBondContact O-CB 3.32Å; F318-L322 PolarHBondContact O-N 2.97Å; I319-L322 WeakPolarHBondContact O-CB 3.46Å; I319-L322 PolarHBondContact O-N 2.79Å; D320-L322 VanDerWaalsContact C-N 3.34Å; D320-L322 PolarHBondContact O-N 2.94Å; L322-T326 HydrophobicContact CD1-CG2 4.05Å; L322-T326 WeakPolarHBondContact CD1-OG1 3.47Å; L322-T326 WeakPolarHBondContact O-CB 3.36Å; L322-T326 PolarHBondContact O-N 3.12Å; L322-T326 PolarHBondContact O-OG1 3.26Å; L322-A328 HydrophobicContact CD1-CB 4.28Å; L322-A328 HydrophobicContact CD2-CB 4.19Å; L322-A328 HydrophobicContact CG-CB 3.96Å; L322-V331 HydrophobicContact CD2-CG2 3.88Å; L322-V459 HydrophobicContact CD2-CG2 3.76Å
323	F	95.9	Very high	95.9	Very high	40 Å²	40	21 Å²	21	18%	0.175	10%	0.104	C	C	.	.	H	α-helix	trans	-73.8	-26.7	-179	-72.1	-48.9	0	0	0	113.6	I319 D320 A328 V331 F371 V399	I319-F323 HydrophobicContact CG2-CD2 3.56Å; I319-F323 HydrophobicContact CG2-CE2 3.45Å; I319-F323 VanDerWaalsContact CG2-CE2 3.45Å; I319-F323 WeakPolarHBondContact O-CD2 2.91Å; I319-F323 PolarHBondContact O-N 2.92Å; D320-F323 PolarHBondContact O-N 2.81Å; F323-A328 HydrophobicContact CD1-CB 4.48Å; F323-A328 WeakPolarHBondContact CD1-O 3.26Å; F323-V331 HydrophobicContact CE1-CG2 4.06Å; F323-V331 HydrophobicContact CE2-CG2 4Å; F323-V331 HydrophobicContact CZ-CB 4.07Å; F323-V331 HydrophobicContact CZ-CG2 3.44Å; F323-V331 VanDerWaalsContact CZ-CG2 3.44Å; F323-F371 HydrophobicContact CB-CD1 4.31Å; F323-F371 HydrophobicContact CD2-CB 4.02Å; F323-F371 AromaticContact CD2-CD1 3.46Å; F323-F371 HydrophobicContact CD2-CD1 3.46Å; F323-F371 VanDerWaalsContact CD2-CD1 3.46Å; F323-F371 HydrophobicContact CD2-CD2 4.17Å; F323-F371 AromaticContact CD2-CE1 3.9Å; F323-F371 HydrophobicContact CD2-CE1 3.9Å; F323-F371 AromaticContact CD2-CG 3.62Å; F323-F371 HydrophobicContact CD2-CG 3.62Å; F323-F371 HydrophobicContact CD2-CZ 4.41Å; F323-F371 HydrophobicContact CE2-CB 4.16Å; F323-F371 HydrophobicContact CE2-CD1 4.14Å; F323-F371 AromaticContact CE2-CD2 4Å; F323-F371 HydrophobicContact CE2-CD2 4Å; F323-F371 HydrophobicContact CE2-CE2 4.43Å; F323-F371 AromaticContact CE2-CG 3.84Å; F323-F371 HydrophobicContact CE2-CG 3.84Å; F323-F371 HydrophobicContact CG-CD1 4.25Å; F323-V399 HydrophobicContact CE2-CG2 4Å
324	R	93.5	Very high	96	Very high	67 Å²	67	20.6 Å²	20.6	25%	0.253	10%	0.102	S	C	.	.	H	α-helix	trans	-76	-34.2	176.5	-74.6	-169.3	-69.8	105.1	-6.9	114	F262 D320 V321	F262-R324 PolarHBondContact O-NH1 2.89Å; F262-R324 PolarHBondContact O-NH2 3.38Å; D320-R324 VanDerWaalsContact CG-NE 3.27Å; D320-R324 WeakPolarHBondContact O-CB 3.41Å; D320-R324 WeakPolarHBondContact O-CG 3.43Å; D320-R324 PolarHBondContact O-N 3.04Å; D320-R324 WeakPolarHBondContact OD1-CD 3.26Å; D320-R324 IonicContact OD1-CZ 2.59Å; D320-R324 IonicContact OD1-NE 3.6Å; D320-R324 PolarHBondContact OD1-NE 3.02Å; D320-R324 IonicContact OD1-NH2 3.67Å; D320-R324 IonicContact OD2-CZ 3.68Å; D320-R324 IonicContact OD2-NE 2.63Å; D320-R324 PolarHBondContact OD2-NE 2.81Å; D320-R324 IonicContact OD2-NH2 3.14Å; D320-R324 PolarHBondContact OD2-NH2 3.29Å; V321-R324 PolarHBondContact O-N 2.91Å
325	H	93.4	Very high	95.9	Very high	39 Å²	39	20.6 Å²	20.6	18%	0.181	10%	0.102	C	C	.	.	H	α-helix	trans	-119.4	-8.7	-169.3	-62.9	-79.6	0	0	0	115.5	E259 V261 L290 V321	E259-H325 IonicContact OE1-CE1 2.73Å; E259-H325 IonicContact OE1-CG 3.33Å; E259-H325 IonicContact OE1-ND1 2.69Å; E259-H325 PolarHBondContact OE1-ND1 2.66Å; V261-H325 HydrophobicContact CG2-CB 4.31Å; L290-H325 HydrophobicContact CD2-CB 4.02Å; V321-H325 PolarHBondContact O-N 2.85Å
326	T	93.8	Very high	95.4	Very high	15 Å²	15	21 Å²	21	9%	0.092	11%	0.105	C	C	.	.	S	Bend	trans	-121.5	156.3	179.9	81.7	0	0	0	0	111.6	V287 L290 F293 L322 A328	V287-T326 HydrophobicContact CG1-CG2 4.27Å; V287-T326 HydrophobicContact CG2-CG2 4.44Å; L290-T326 HydrophobicContact CD2-CG2 4.31Å; F293-T326 HydrophobicContact CD1-CG2 4.43Å; F293-T326 HydrophobicContact CD2-CG2 4.1Å; F293-T326 HydrophobicContact CE2-CG2 4.42Å; F293-T326 HydrophobicContact CG-CG2 4.12Å; L322-T326 HydrophobicContact CD1-CG2 4.05Å; L322-T326 WeakPolarHBondContact CD1-OG1 3.47Å; L322-T326 WeakPolarHBondContact O-CB 3.36Å; L322-T326 PolarHBondContact O-N 3.12Å; L322-T326 PolarHBondContact O-OG1 3.26Å; T326-A328 PolarHBondContact O-N 3.12Å; T326-A328 WeakPolarHBondContact OG1-CB 3.28Å; T326-A328 PolarHBondContact OG1-N 2.67Å
327	P	93.6	Very high	94.8	Very high	81 Å²	81	24.5 Å²	24.5	53%	0.526	13%	0.126	S	C	.	.	S	Bend	trans	-72.8	12.8	176.6	32.1	-39.1	0	0	0	114.8	F293 K294	F293-P327 HydrophobicContact CD1-CG 3.98Å; F293-P327 HydrophobicContact CE1-CG 4.1Å; K294-P327 HydrophobicContact CG-CG 4.15Å
328	A	94.5	Very high	94	Very high	9 Å²	9	28.2 Å²	28.2	7%	0.074	15%	0.145	C	C	.	.			trans	-60.9	144.9	175.9	0	0	0	0	0	111.5	F293 L322 F323 T326 D458	F293-A328 HydrophobicContact CE1-CB 4.28Å; F293-A328 HydrophobicContact CZ-CB 3.9Å; L322-A328 HydrophobicContact CD1-CB 4.28Å; L322-A328 HydrophobicContact CD2-CB 4.19Å; L322-A328 HydrophobicContact CG-CB 3.96Å; F323-A328 HydrophobicContact CD1-CB 4.48Å; F323-A328 WeakPolarHBondContact CD1-O 3.26Å; T326-A328 PolarHBondContact O-N 3.12Å; T326-A328 WeakPolarHBondContact OG1-CB 3.28Å; T326-A328 PolarHBondContact OG1-N 2.67Å; A328-D458 HydrophobicContact CB-CB 4.18Å
329	K	94.7	Very high	93.4	Very high	151 Å²	151	28.9 Å²	28.9	66%	0.657	15%	0.15	S	C	*	.			trans	-126	-24.3	178.2	-64.5	-171.2	177.4	-170.8	0	114	G397 G398 D458	K329-G397 CarbonylContact O-C 3.54Å; K329-G397 WeakPolarHBondContact O-CA 3.43Å; K329-G398 PolarHBondContact O-N 2.91Å; K329-D458 PolarHBondContact N-OD2 3.26Å
330	T	96.9	Very high	92.9	Very high	18 Å²	18	29.1 Å²	29.1	11%	0.11	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	119.2	-167.4	52.6	0	0	0	0	111.6	W393 P457 D458 V459	T330-W393 HydrophobicContact CG2-CZ2 4.22Å; T330-P457 WeakPolarHBondContact OG1-CA 3.27Å; T330-D458 PolarHBondContact N-OD2 2.64Å; T330-D458 WeakPolarHBondContact O-CB 3.43Å; T330-D458 PolarHBondContact O-N 2.75Å; T330-D458 PolarHBondContact OG1-N 3.13Å; T330-D458 PolarHBondContact OG1-OD2 3.39Å; T330-V459 PolarHBondContact O-N 2.88Å
331	V	97.6	Very high	92.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	123.3	174.1	175.1	0	0	0	0	108.5	I319 L322 F323 G398 V399 L400 V459 I461	I319-V331 HydrophobicContact CD1-CG1 4.11Å; I319-V331 HydrophobicContact CG1-CG1 4.37Å; L322-V331 HydrophobicContact CD2-CG2 3.88Å; F323-V331 HydrophobicContact CE1-CG2 4.06Å; F323-V331 HydrophobicContact CE2-CG2 4Å; F323-V331 HydrophobicContact CZ-CB 4.07Å; F323-V331 HydrophobicContact CZ-CG2 3.44Å; F323-V331 VanDerWaalsContact CZ-CG2 3.44Å; V331-G398 PolarHBondContact N-O 2.97Å; V331-V399 HydrophobicContact CB-CG2 4.3Å; V331-V399 HydrophobicContact CG1-CG1 4.45Å; V331-V399 CarbonylContact O-C 3.6Å; V331-V399 VanDerWaalsContact O-CA 3.32Å; V331-V399 WeakPolarHBondContact O-CA 3.4Å; V331-L400 PolarHBondContact O-N 3.33Å; V331-V459 WeakPolarHBondContact CA-O 3.27Å; V331-V459 HydrophobicContact CG2-CB 4.32Å; V331-I461 HydrophobicContact CG1-CD1 3.52Å; V331-I461 HydrophobicContact CG1-CG1 4.45Å
332	L	97.7	Very high	92	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	119	176.2	-178.6	63.8	0	0	0	109.6	I334 W393 L400 M402 Y407 L452 P457 V459 V460 I461	L332-I334 HydrophobicContact CD2-CD1 4.11Å; L332-I334 HydrophobicContact CD2-CG1 4.2Å; L332-I334 HydrophobicContact CG-CD1 4.48Å; L332-I334 HydrophobicContact CG-CG1 4.04Å; L332-W393 HydrophobicContact CB-CH2 4.21Å; L332-W393 HydrophobicContact CB-CZ2 4.34Å; L332-W393 HydrophobicContact CD1-CH2 4.3Å; L332-L400 HydrophobicContact CD1-CB 4.07Å; L332-L400 HydrophobicContact CD1-CD2 3.91Å; L332-L400 HydrophobicContact CD1-CG 3.99Å; L332-M402 HydrophobicContact CD1-CG 4.24Å; L332-M402 HydrophobicContact CD1-SD 3.73Å; L332-Y407 HydrophobicContact CD2-CD2 4.26Å; L332-Y407 HydrophobicContact CD2-CE2 4.18Å; L332-L452 HydrophobicContact CD1-CD2 4.13Å; L332-L452 HydrophobicContact CD2-CD2 4.14Å; L332-P457 HydrophobicContact CB-CB 3.95Å; L332-P457 HydrophobicContact CB-CG 3.66Å; L332-P457 HydrophobicContact CD2-CG 4.12Å; L332-V459 PolarHBondContact N-O 2.98Å; L332-V460 CarbonylContact O-C 3.59Å; L332-V460 WeakPolarHBondContact O-CA 3.4Å; L332-I461 PolarHBondContact O-N 2.67Å
333	A	97.7	Very high	91.9	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	108.7	173.7	0	0	0	0	0	110.3	V335 V399 L400 L401 M402 I461	A333-V335 HydrophobicContact CB-CG1 4.32Å; A333-V399 HydrophobicContact CB-CG1 4.49Å; A333-L400 PolarHBondContact N-O 2.83Å; A333-L401 HydrophobicContact CB-CD2 3.8Å; A333-L401 WeakPolarHBondContact O-CA 3.37Å; A333-M402 PolarHBondContact O-N 2.95Å; A333-I461 WeakPolarHBondContact CA-O 3.49Å; A333-I461 HydrophobicContact CB-CB 4.31Å
334	I	96.8	Very high	91.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	116.5	175.9	-53.3	175.9	0	0	0	107.1	L332 M402 Y404 Y407 V460 I461 C462 D463 L479	L332-I334 HydrophobicContact CD2-CD1 4.11Å; L332-I334 HydrophobicContact CD2-CG1 4.2Å; L332-I334 HydrophobicContact CG-CD1 4.48Å; L332-I334 HydrophobicContact CG-CG1 4.04Å; I334-M402 WeakPolarHBondContact CA-O 3.32Å; I334-M402 HydrophobicContact CG1-CG 4.36Å; I334-Y404 HydrophobicContact CG2-CD1 3.67Å; I334-Y404 HydrophobicContact CG2-CD2 3.96Å; I334-Y404 HydrophobicContact CG2-CE1 3.93Å; I334-Y404 HydrophobicContact CG2-CE2 4.19Å; I334-Y404 HydrophobicContact CG2-CG 3.69Å; I334-Y407 HydrophobicContact CD1-CD1 4.2Å; I334-Y407 HydrophobicContact CD1-CD2 3.6Å; I334-Y407 HydrophobicContact CD1-CE2 4.01Å; I334-Y407 HydrophobicContact CD1-CG 3.73Å; I334-Y407 HydrophobicContact CG1-CD2 4.36Å; I334-V460 HydrophobicContact CD1-CG1 4.37Å; I334-I461 PolarHBondContact N-O 2.79Å; I334-C462 WeakPolarHBondContact O-CA 3.38Å; I334-D463 PolarHBondContact O-N 2.73Å; I334-L479 HydrophobicContact CD1-CD2 3.46Å; I334-L479 VanDerWaalsContact CD1-CD2 3.46Å
335	V	94.2	Very high	91.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	163.2	-170.7	-52.4	0	0	0	0	110.9	A333 V337 L340 W343 M402 G403 Y404 D463	A333-V335 HydrophobicContact CB-CG1 4.32Å; V335-V337 PolarHBondContact O-N 3.44Å; V335-L340 HydrophobicContact CG2-CD2 3.39Å; V335-L340 HydrophobicContact CG2-CG 3.8Å; V335-W343 HydrophobicContact CG1-CD2 4.28Å; V335-W343 HydrophobicContact CG1-CG 4.28Å; V335-M402 PolarHBondContact N-O 3.02Å; V335-G403 WeakPolarHBondContact O-CA 3.49Å; V335-Y404 WeakPolarHBondContact O-CD2 3.39Å; V335-Y404 PolarHBondContact O-N 3.38Å; V335-D463 HydrophobicContact CB-CB 4.11Å; V335-D463 HydrophobicContact CG1-CB 3.75Å
336	P	88.5	Confident	91.5	Very high	11 Å²	11	37.7 Å²	37.7	7%	0.071	21%	0.208	C	C	.	.			trans	-57.1	136.2	165.9	-23.7	34.4	0	0	0	110.8	N338 T339 E464	P336-N338 PolarHBondContact O-N 3.19Å; P336-N338 VanDerWaalsContact O-N 3.14Å; P336-T339 HydrophobicContact CB-CG2 4.47Å; P336-T339 PolarHBondContact O-N 3.36Å; P336-T339 PolarHBondContact O-OG1 2.99Å; P336-T339 VanDerWaalsContact O-OG1 3.09Å; P336-E464 HydrophobicContact CG-CB 4.08Å; P336-E464 HydrophobicContact CG-CG 4.38Å
337	V	84.9	Confident	91.6	Very high	73 Å²	73	37 Å²	37	44%	0.442	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-53	-41.1	-178.3	66	0	0	0	0	111.9	V335 T339 L340	V335-V337 PolarHBondContact O-N 3.44Å; V337-T339 PolarHBondContact O-N 2.98Å; V337-L340 HydrophobicContact CB-CD1 4.48Å; V337-L340 HydrophobicContact CG2-CD1 3.97Å; V337-L340 WeakPolarHBondContact O-CB 3.49Å; V337-L340 PolarHBondContact O-N 2.84Å; V337-L340 VanDerWaalsContact O-N 3.16Å
338	N	79	Confident	91.6	Very high	77 Å²	77	36.3 Å²	36.3	41%	0.412	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-69.5	2.6	178.1	-62.5	-51.4	0	0	0	115.2	P336 L821	P336-N338 PolarHBondContact O-N 3.19Å; P336-N338 VanDerWaalsContact O-N 3.14Å; N338-L821 HydrophobicContact CB-CB 4.31Å; N338-L821 HydrophobicContact CB-CD1 4.46Å; N338-L821 HydrophobicContact CB-CD2 4.41Å; N338-L821 WeakPolarHBondContact ND2-CD1 3.48Å
339	T	84.8	Confident	91.4	Very high	18 Å²	18	41.4 Å²	41.4	11%	0.11	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-120.2	-0.6	171	65.1	0	0	0	0	114	P336 V337 Q341 N342 W343	P336-T339 HydrophobicContact CB-CG2 4.47Å; P336-T339 PolarHBondContact O-N 3.36Å; P336-T339 PolarHBondContact O-OG1 2.99Å; P336-T339 VanDerWaalsContact O-OG1 3.09Å; V337-T339 PolarHBondContact O-N 2.98Å; T339-Q341 PolarHBondContact O-N 2.57Å; T339-N342 WeakPolarHBondContact O-CB 3.27Å; T339-N342 PolarHBondContact O-N 3.09Å; T339-N342 VanDerWaalsContact O-N 3.14Å; T339-W343 PolarHBondContact O-N 2.91Å
340	L	87.7	Confident	91.2	Very high	7 Å²	7	37.2 Å²	37.2	4%	0.037	20%	0.199	C	C	.	.	H	α-helix	trans	-53.2	-50.6	-179.9	-77.5	167.3	0	0	0	112.9	V335 V337 W343 L344 N377 L401	V335-L340 HydrophobicContact CG2-CD2 3.39Å; V335-L340 HydrophobicContact CG2-CG 3.8Å; V337-L340 HydrophobicContact CB-CD1 4.48Å; V337-L340 HydrophobicContact CG2-CD1 3.97Å; V337-L340 WeakPolarHBondContact O-CB 3.49Å; V337-L340 PolarHBondContact O-N 2.84Å; V337-L340 VanDerWaalsContact O-N 3.16Å; L340-W343 PolarHBondContact O-N 3.31Å; L340-L344 PolarHBondContact O-N 2.88Å; L340-N377 HydrophobicContact CD1-CB 4.46Å; L340-L401 HydrophobicContact CD2-CB 3.84Å
341	Q	85.2	Confident	91	Very high	109 Å²	109	36.3 Å²	36.3	51%	0.509	19%	0.194	S	C	.	.	H	α-helix	trans	-69.8	-32.9	-180	-59.9	-63.4	5.1	0	0	112.4	T339 L344 A345	T339-Q341 PolarHBondContact O-N 2.57Å; Q341-L344 PolarHBondContact O-N 3.27Å; Q341-A345 WeakPolarHBondContact O-CB 3.33Å; Q341-A345 PolarHBondContact O-N 3.47Å
342	N	86.8	Confident	90.7	Very high	85 Å²	85	37.2 Å²	37.2	46%	0.455	20%	0.199	S	C	.	.	H	α-helix	trans	-64.6	-41.6	172.5	-172.1	104.4	0	0	0	111.1	T339 A345 E346	T339-N342 WeakPolarHBondContact O-CB 3.27Å; T339-N342 PolarHBondContact O-N 3.09Å; T339-N342 VanDerWaalsContact O-N 3.14Å; N342-A345 PolarHBondContact O-N 2.78Å; N342-E346 WeakPolarHBondContact O-CB 3.35Å; N342-E346 WeakPolarHBondContact O-CG 3.4Å; N342-E346 PolarHBondContact O-N 3.41Å
343	W	93	Very high	90.2	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-61.6	-41.9	174.6	-90.2	90.1	0	0	0	111.7	T312 V315 V335 T339 L340 E346 F347 L401 D463 L490	T312-W343 HydrophobicContact CG2-CD2 3.79Å; T312-W343 HydrophobicContact CG2-CE3 3.7Å; T312-W343 HydrophobicContact CG2-CG 4.5Å; T312-W343 HydrophobicContact CG2-CH2 3.93Å; T312-W343 HydrophobicContact CG2-CZ2 3.99Å; T312-W343 HydrophobicContact CG2-CZ3 3.78Å; V315-W343 HydrophobicContact CB-CH2 4.23Å; V315-W343 HydrophobicContact CG1-CH2 3.99Å; V315-W343 HydrophobicContact CG1-CZ3 4.11Å; V335-W343 HydrophobicContact CG1-CD2 4.28Å; V335-W343 HydrophobicContact CG1-CG 4.28Å; T339-W343 PolarHBondContact O-N 2.91Å; L340-W343 PolarHBondContact O-N 3.31Å; W343-E346 PolarHBondContact O-N 2.89Å; W343-F347 AromaticContact CE3-CE2 3.94Å; W343-F347 HydrophobicContact CE3-CE2 3.94Å; W343-F347 HydrophobicContact CZ3-CE2 4.37Å; W343-F347 VanDerWaalsContact O-CD2 3.27Å; W343-F347 WeakPolarHBondContact O-CD2 3.49Å; W343-F347 PolarHBondContact O-N 3.15Å; W343-L401 HydrophobicContact CB-CD1 3.93Å; W343-D463 HydrophobicContact CZ2-CB 3.9Å; W343-D463 PolarHBondContact NE1-OD2 3.4Å; W343-L490 HydrophobicContact CH2-CD1 3.74Å; W343-L490 HydrophobicContact CZ2-CD1 3.67Å
344	L	92	Very high	89.7	Confident	40 Å²	40	41.1 Å²	41.1	21%	0.209	23%	0.226	C	C	.	.	H	α-helix	trans	-61.6	-46.1	172.6	-179.7	67.7	0	0	0	112.2	L340 Q341 E346 F347 N348 V373 I375 L401	L340-L344 PolarHBondContact O-N 2.88Å; Q341-L344 PolarHBondContact O-N 3.27Å; L344-E346 PolarHBondContact O-N 3.2Å; L344-F347 PolarHBondContact O-N 2.91Å; L344-N348 WeakPolarHBondContact O-CB 3.28Å; L344-N348 VanDerWaalsContact O-CG 3.32Å; L344-N348 PolarHBondContact O-N 3.5Å; L344-N348 PolarHBondContact O-ND2 3.09Å; L344-V373 HydrophobicContact CD1-CB 4.35Å; L344-V373 HydrophobicContact CD1-CG1 4Å; L344-I375 HydrophobicContact CB-CD1 3.92Å; L344-I375 HydrophobicContact CD1-CD1 4.18Å; L344-I375 HydrophobicContact CD2-CD1 3.73Å; L344-I375 HydrophobicContact CG-CD1 4.12Å; L344-L401 HydrophobicContact CB-CD1 4.38Å
345	A	90.3	Very high	89.1	Confident	55 Å²	55	49.2 Å²	49.2	46%	0.455	26%	0.264	S	S	.	.	H	α-helix	trans	-60.9	-43.4	179.2	0	0	0	0	0	111.7	Q341 N342 N348 M349	Q341-A345 WeakPolarHBondContact O-CB 3.33Å; Q341-A345 PolarHBondContact O-N 3.47Å; N342-A345 PolarHBondContact O-N 2.78Å; A345-N348 PolarHBondContact O-N 3.25Å; A345-M349 VanDerWaalsContact O-CB 3.26Å; A345-M349 WeakPolarHBondContact O-CB 3.48Å; A345-M349 PolarHBondContact O-N 3.09Å
346	E	92.9	Very high	88.5	Confident	39 Å²	39	52.6 Å²	52.6	18%	0.182	29%	0.292	C	S	.	.	H	α-helix	trans	-61.9	-44.2	174.6	-66.1	-107	-149.6	0	0	111.4	T312 I316 N342 W343 L344 N348 M349 W350	T312-E346 HydrophobicContact CG2-CB 3.93Å; T312-E346 HydrophobicContact CG2-CG 4Å; I316-E346 HydrophobicContact CD1-CB 3.64Å; N342-E346 WeakPolarHBondContact O-CB 3.35Å; N342-E346 WeakPolarHBondContact O-CG 3.4Å; N342-E346 PolarHBondContact O-N 3.41Å; W343-E346 PolarHBondContact O-N 2.89Å; L344-E346 PolarHBondContact O-N 3.2Å; E346-N348 PolarHBondContact O-N 3.34Å; E346-M349 PolarHBondContact O-N 3.11Å; E346-W350 PolarHBondContact O-N 2.92Å; E346-W350 PolarHBondContact OE2-NE1 2.88Å
347	F	94.6	Very high	88.1	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-59.4	-44.4	173.3	-90.3	-68.8	0	0	0	112.1	I316 I319 W343 L344 L351 R369 F371 V373 V399 L401	I316-F347 HydrophobicContact CB-CE1 4.37Å; I316-F347 HydrophobicContact CD1-CD1 4.29Å; I316-F347 HydrophobicContact CD1-CD2 4.4Å; I316-F347 HydrophobicContact CD1-CG 4.2Å; I316-F347 HydrophobicContact CG1-CD1 3.97Å; I316-F347 HydrophobicContact CG1-CD2 4.44Å; I316-F347 HydrophobicContact CG1-CE1 3.79Å; I316-F347 HydrophobicContact CG1-CE2 4.26Å; I316-F347 HydrophobicContact CG1-CG 4.29Å; I316-F347 HydrophobicContact CG1-CZ 3.94Å; I316-F347 HydrophobicContact CG2-CD1 4.07Å; I316-F347 HydrophobicContact CG2-CE1 4.18Å; I319-F347 HydrophobicContact CD1-CE1 4.28Å; I319-F347 HydrophobicContact CD1-CZ 3.76Å; I319-F347 HydrophobicContact CG2-CE1 4.47Å; W343-F347 AromaticContact CE3-CE2 3.94Å; W343-F347 HydrophobicContact CE3-CE2 3.94Å; W343-F347 HydrophobicContact CZ3-CE2 4.37Å; W343-F347 VanDerWaalsContact O-CD2 3.27Å; W343-F347 WeakPolarHBondContact O-CD2 3.49Å; W343-F347 PolarHBondContact O-N 3.15Å; L344-F347 PolarHBondContact O-N 2.91Å; F347-L351 CarbonylContact O-C 3.58Å; F347-L351 WeakPolarHBondContact O-CA 3.29Å; F347-L351 PolarHBondContact O-N 3.12Å; F347-R369 PolarHBondContact O-NH1 3.04Å; F347-F371 HydrophobicContact CD1-CE2 4.17Å; F347-F371 HydrophobicContact CD1-CZ 4.37Å; F347-F371 AromaticContact CE1-CE2 3.91Å; F347-F371 HydrophobicContact CE1-CE2 3.91Å; F347-F371 HydrophobicContact CE1-CZ 4.1Å; F347-V373 HydrophobicContact CB-CG2 4.23Å; F347-V373 HydrophobicContact CD1-CG2 4.2Å; F347-V373 HydrophobicContact CD2-CG1 4.31Å; F347-V373 HydrophobicContact CD2-CG2 4.36Å; F347-V373 HydrophobicContact CG-CG2 4.03Å; F347-V399 HydrophobicContact CE1-CG2 4.2Å; F347-V399 HydrophobicContact CE2-CG1 4.13Å; F347-V399 HydrophobicContact CZ-CB 4.4Å; F347-V399 HydrophobicContact CZ-CG1 4.04Å; F347-V399 HydrophobicContact CZ-CG2 3.92Å; F347-L401 HydrophobicContact CE2-CD2 4.07Å
348	N	93	Very high	87.8	Confident	68 Å²	68	54.9 Å²	54.9	36%	0.364	31%	0.306	S	S	.	.	H	α-helix	trans	-68.8	-31.6	179.2	-69.8	-19.2	0	0	0	113.2	L344 A345 E346 P352 R369	L344-N348 WeakPolarHBondContact O-CB 3.28Å; L344-N348 VanDerWaalsContact O-CG 3.32Å; L344-N348 PolarHBondContact O-N 3.5Å; L344-N348 PolarHBondContact O-ND2 3.09Å; A345-N348 PolarHBondContact O-N 3.25Å; E346-N348 PolarHBondContact O-N 3.34Å; N348-P352 WeakPolarHBondContact O-CA 3.46Å; N348-R369 VanDerWaalsContact OD1-CZ 3.31Å; N348-R369 PolarHBondContact OD1-NH1 3.29Å; N348-R369 PolarHBondContact OD1-NH2 3.12Å
349	M	90.2	Very high	87.5	Confident	116 Å²	116	56.4 Å²	56.4	57%	0.571	33%	0.329	S	S	*	.	H	α-helix	trans	-76.7	-44.8	179.9	177.4	169.7	66.3	0	0	112.8	A345 E346	A345-M349 VanDerWaalsContact O-CB 3.26Å; A345-M349 WeakPolarHBondContact O-CB 3.48Å; A345-M349 PolarHBondContact O-N 3.09Å; E346-M349 PolarHBondContact O-N 3.11Å
350	W	92.6	Very high	87	Confident	62 Å²	62	63.1 Å²	63.1	24%	0.235	36%	0.364	C	S	.	.	H	α-helix	trans	-88.5	-31.8	-176.1	-60.8	120.2	0	0	0	113.5	Q266 L267 A270 L313 I316 E346	Q266-W350 WeakPolarHBondContact CG-O 3.49Å; Q266-W350 PolarHBondContact NE2-O 3.33Å; Q266-W350 VanDerWaalsContact NE2-O 3.13Å; L267-W350 HydrophobicContact CD2-CB 3.83Å; A270-W350 HydrophobicContact CB-CE3 4.18Å; A270-W350 HydrophobicContact CB-CH2 4.12Å; A270-W350 HydrophobicContact CB-CZ3 3.5Å; L313-W350 HydrophobicContact CD1-CB 4.43Å; L313-W350 HydrophobicContact CD1-CD2 3.67Å; L313-W350 HydrophobicContact CD1-CE3 4.13Å; L313-W350 HydrophobicContact CD1-CG 3.8Å; L313-W350 HydrophobicContact CD1-CZ2 4.45Å; L313-W350 HydrophobicContact CD2-CH2 4.36Å; L313-W350 HydrophobicContact CD2-CZ2 4.13Å; I316-W350 HydrophobicContact CG2-CB 4.2Å; E346-W350 PolarHBondContact O-N 2.92Å; E346-W350 PolarHBondContact OE2-NE1 2.88Å
351	L	91.8	Very high	86.2	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	38%	0.377	C	S	.	.	S	Bend	trans	-136.6	69.5	-177.4	-68.4	176.3	0	0	0	110	L267 I316 D320 F347 R369 F371	L267-L351 HydrophobicContact CD1-CD2 3.95Å; L267-L351 HydrophobicContact CD1-CG 4.49Å; L267-L351 HydrophobicContact CD2-CD2 4.43Å; L267-L351 HydrophobicContact CD2-CG 4.48Å; L267-L351 HydrophobicContact CG-CD2 4.25Å; I316-L351 HydrophobicContact CG2-CD1 3.48Å; I316-L351 VanDerWaalsContact CG2-CD1 3.48Å; I316-L351 HydrophobicContact CG2-CG 3.94Å; D320-L351 HydrophobicContact CB-CD1 3.76Å; D320-L351 HydrophobicContact CB-CD2 4.33Å; F347-L351 CarbonylContact O-C 3.58Å; F347-L351 WeakPolarHBondContact O-CA 3.29Å; F347-L351 PolarHBondContact O-N 3.12Å; L351-R369 HydrophobicContact CB-CB 4.2Å; L351-R369 VanDerWaalsContact O-CD 3.27Å; L351-R369 WeakPolarHBondContact O-CD 3.34Å; L351-R369 WeakPolarHBondContact O-CG 3.39Å; L351-R369 PolarHBondContact O-NH1 2.94Å; L351-F371 HydrophobicContact CD1-CE1 4.3Å; L351-F371 HydrophobicContact CD1-CZ 3.94Å
352	P	90.5	Very high	85.7	Confident	18 Å²	18	64.9 Å²	64.9	12%	0.117	38%	0.375	C	S	.	.			trans	-55.9	147.2	179.2	23.3	-34.3	0	0	0	111.8	N348 A356 L357 V366 P368 R369	N348-P352 WeakPolarHBondContact O-CA 3.46Å; P352-A356 HydrophobicContact CB-CB 4.4Å; P352-L357 HydrophobicContact CB-CD2 4.1Å; P352-L357 HydrophobicContact CB-CG 4.38Å; P352-L357 HydrophobicContact CG-CD2 3.59Å; P352-L357 HydrophobicContact CG-CG 4.17Å; P352-V366 HydrophobicContact CG-CG1 4.13Å; P352-P368 WeakPolarHBondContact O-CA 3.41Å; P352-R369 PolarHBondContact O-N 3.49Å
353	A	88.7	Confident	85	Confident	15 Å²	15	66.1 Å²	66.1	12%	0.124	39%	0.388	C	S	.	.			trans	-67.5	153.8	172.4	0	0	0	0	0	110.5	E355 A356	A353-E355 VanDerWaalsContact CB-OE2 3.25Å; A353-E355 WeakPolarHBondContact CB-OE2 3.42Å; A353-E355 PolarHBondContact O-N 3.26Å; A353-E355 VanDerWaalsContact O-N 3.13Å; A353-A356 PolarHBondContact O-N 2.84Å
354	P	85.3	Confident	84	Confident	69 Å²	69	73.9 Å²	73.9	45%	0.448	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-53.4	-33.8	178.9	-25.9	34.6	0	0	0	113.7	A356 P368	P354-A356 VanDerWaalsContact C-N 3.3Å; P354-A356 PolarHBondContact O-N 2.87Å; P354-P368 HydrophobicContact CG-CB 4.15Å
355	E	84.3	Confident	83.3	Confident	169 Å²	169	76 Å²	76	79%	0.79	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-76.5	-15.4	-178.9	-50.3	75.6	-165.7	0	0	113.3	A353	A353-E355 VanDerWaalsContact CB-OE2 3.25Å; A353-E355 WeakPolarHBondContact CB-OE2 3.42Å; A353-E355 PolarHBondContact O-N 3.26Å; A353-E355 VanDerWaalsContact O-N 3.13Å
356	A	82.3	Confident	83	Confident	72 Å²	72	75.3 Å²	75.3	60%	0.595	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-96	-7.9	-179.3	0	0	0	0	0	113.3	P352 A353 P354	P352-A356 HydrophobicContact CB-CB 4.4Å; A353-A356 PolarHBondContact O-N 2.84Å; P354-A356 VanDerWaalsContact C-N 3.3Å; P354-A356 PolarHBondContact O-N 2.87Å
357	L	80.5	Confident	82.7	Confident	44 Å²	44	76 Å²	76	23%	0.23	43%	0.426	C	S	.	.	S	Bend	trans	-85.8	135.5	176.8	-72.4	-179.6	0	0	0	111.5	P352 V366 P368	P352-L357 HydrophobicContact CB-CD2 4.1Å; P352-L357 HydrophobicContact CB-CG 4.38Å; P352-L357 HydrophobicContact CG-CD2 3.59Å; P352-L357 HydrophobicContact CG-CG 4.17Å; L357-V366 HydrophobicContact CD1-CG1 4.48Å; L357-V366 HydrophobicContact CD2-CG1 3.95Å; L357-P368 HydrophobicContact CD1-CB 3.78Å; L357-P368 HydrophobicContact CD1-CG 4.15Å
358	P	78.3	Confident	82.4	Confident	88 Å²	88	77.3 Å²	77.3	57%	0.571	44%	0.435	S	S	*	.			trans	-54.9	141.5	164.8	-25	34.4	0	0	0	111.7	D360 S361	P358-D360 PolarHBondContact O-N 2.66Å; P358-S361 VanDerWaalsContact O-CB 3.26Å; P358-S361 WeakPolarHBondContact O-CB 3.43Å; P358-S361 PolarHBondContact O-N 2.77Å; P358-S361 PolarHBondContact O-OG 2.86Å
359	A	72.4	Confident	82.3	Confident	109 Å²	109	75.2 Å²	75.2	90%	0.901	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-23.3	-177.2	0	0	0	0	0	114.2	S361	A359-S361 VanDerWaalsContact C-N 3.34Å
360	D	74.5	Confident	82.2	Confident	159 Å²	159	76.9 Å²	76.9	85%	0.85	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	4.3	177.6	-58.2	-49.6	0	0	0	113.9	P358 K362	P358-D360 PolarHBondContact O-N 2.66Å; D360-K362 PolarHBondContact O-N 2.94Å
361	S	71.3	Confident	82.3	Confident	43 Å²	43	75 Å²	75	30%	0.301	42%	0.42	S	S	.	.			trans	-65.2	118.7	-179.9	-71.4	0	0	0	0	112.3	P358 A359	P358-S361 VanDerWaalsContact O-CB 3.26Å; P358-S361 WeakPolarHBondContact O-CB 3.43Å; P358-S361 PolarHBondContact O-N 2.77Å; P358-S361 PolarHBondContact O-OG 2.86Å; A359-S361 VanDerWaalsContact C-N 3.34Å
362	K	74.8	Confident	82.4	Confident	109 Å²	109	79.5 Å²	79.5	47%	0.474	44%	0.44	S	S	.	.			trans	-71.5	129.5	178.5	-52.5	-162.6	-158.8	75.4	0	111	D360 E364 E365 V366	D360-K362 PolarHBondContact O-N 2.94Å; K362-E364 PolarHBondContact O-N 3.35Å; K362-E364 VanDerWaalsContact O-N 3.12Å; K362-E365 HydrophobicContact CB-CB 4.36Å; K362-E365 HydrophobicContact CB-CG 4.24Å; K362-E365 WeakPolarHBondContact CD-OE1 3.4Å; K362-E365 IonicContact NZ-OE1 3.63Å; K362-E365 PolarHBondContact NZ-OE1 3.26Å; K362-E365 IonicContact NZ-OE2 3.54Å; K362-E365 PolarHBondContact O-N 3.47Å; K362-V366 PolarHBondContact O-N 3.29Å
363	P	71.8	Confident	82.7	Confident	112 Å²	112	79.6 Å²	79.6	73%	0.727	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.3	176.9	-26.7	35.5	0	0	0	114.8	E365	P363-E365 VanDerWaalsContact C-N 3.31Å
364	E	71.9	Confident	83	Confident	164 Å²	164	79.5 Å²	79.5	77%	0.766	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-21.9	175.4	-60	-179.5	159	0	0	113.1	P265 K362	P265-E364 WeakPolarHBondContact CB-O 3.42Å; P265-E364 WeakPolarHBondContact CG-O 3.17Å; K362-E364 PolarHBondContact O-N 3.35Å; K362-E364 VanDerWaalsContact O-N 3.12Å
365	E	78	Confident	83.4	Confident	86 Å²	86	77.5 Å²	77.5	40%	0.402	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-38.2	-175.8	-71.6	176.1	-154.2	0	0	112.9	K362 P363	K362-E365 HydrophobicContact CB-CB 4.36Å; K362-E365 HydrophobicContact CB-CG 4.24Å; K362-E365 WeakPolarHBondContact CD-OE1 3.4Å; K362-E365 IonicContact NZ-OE1 3.63Å; K362-E365 PolarHBondContact NZ-OE1 3.26Å; K362-E365 IonicContact NZ-OE2 3.54Å; K362-E365 PolarHBondContact O-N 3.47Å; P363-E365 VanDerWaalsContact C-N 3.31Å
366	V	83.8	Confident	83.8	Confident	40 Å²	40	69.4 Å²	69.4	24%	0.242	38%	0.384	C	S	.	.			trans	-143.7	125.6	179.6	-173.8	0	0	0	0	110.5	Q266 P352 L357 K362	Q266-V366 HydrophobicContact CG-CG1 4.35Å; P352-V366 HydrophobicContact CG-CG1 4.13Å; L357-V366 HydrophobicContact CD1-CG1 4.48Å; L357-V366 HydrophobicContact CD2-CG1 3.95Å; K362-V366 PolarHBondContact O-N 3.29Å
367	Q	86.5	Confident	84	Confident	52 Å²	52	66.7 Å²	66.7	24%	0.243	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-101.6	123.7	172	-173.2	173.4	9.8	0	0	109.8	A264 Q266 F370	A264-Q367 HydrophobicContact CB-CB 4.09Å; Q266-Q367 PolarHBondContact NE2-O 2.98Å; Q367-F370 HydrophobicContact CG-CE2 4.05Å
368	P	88.1	Confident	84.1	Confident	28 Å²	28	69.2 Å²	69.2	18%	0.182	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-70.6	161.4	177	28.8	-34.1	0	0	0	112	P352 P354 L357 F370	P352-P368 WeakPolarHBondContact O-CA 3.41Å; P354-P368 HydrophobicContact CG-CB 4.15Å; L357-P368 HydrophobicContact CD1-CB 3.78Å; L357-P368 HydrophobicContact CD1-CG 4.15Å; P368-F370 HydrophobicContact CG-CZ 4.3Å; P368-F370 VanDerWaalsContact O-CE2 3.3Å; P368-F370 WeakPolarHBondContact O-CE2 3.42Å
369	R	90.9	Very high	84.3	Confident	24 Å²	24	72 Å²	72	9%	0.091	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-72.3	141.4	167.9	59.9	-179	-176.7	-117.9	10	111.7	F347 N348 L351 P352 F371	F347-R369 PolarHBondContact O-NH1 3.04Å; N348-R369 VanDerWaalsContact OD1-CZ 3.31Å; N348-R369 PolarHBondContact OD1-NH1 3.29Å; N348-R369 PolarHBondContact OD1-NH2 3.12Å; L351-R369 HydrophobicContact CB-CB 4.2Å; L351-R369 VanDerWaalsContact O-CD 3.27Å; L351-R369 WeakPolarHBondContact O-CD 3.34Å; L351-R369 WeakPolarHBondContact O-CG 3.39Å; L351-R369 PolarHBondContact O-NH1 2.94Å; P352-R369 PolarHBondContact O-N 3.49Å; R369-F371 HydrophobicContact CB-CD1 4.02Å; R369-F371 HydrophobicContact CB-CE1 3.82Å; R369-F371 HydrophobicContact CB-CE2 4.47Å; R369-F371 HydrophobicContact CB-CG 4.44Å; R369-F371 HydrophobicContact CB-CZ 4.06Å; R369-F371 VanDerWaalsContact CD-O 3.27Å; R369-F371 WeakPolarHBondContact CD-O 3.36Å; R369-F371 WeakPolarHBondContact CG-O 3.35Å
370	F	88.6	Confident	84.9	Confident	151 Å²	151	69 Å²	69	66%	0.662	35%	0.346	S	S	*	.	S	Bend	trans	-100.4	15.4	173.4	-57.4	-81.2	0	0	0	112.7	Q367 P368	Q367-F370 HydrophobicContact CG-CE2 4.05Å; P368-F370 HydrophobicContact CG-CZ 4.3Å; P368-F370 VanDerWaalsContact O-CE2 3.3Å; P368-F370 WeakPolarHBondContact O-CE2 3.42Å
371	F	93.8	Very high	85.4	Confident	24 Å²	24	70 Å²	70	11%	0.105	34%	0.343	C	S	.	.	S	Bend	trans	-133.9	152.5	-178.5	61.7	-94	0	0	0	111	I319 F323 F347 L351 R369 V373 V399	I319-F371 HydrophobicContact CG2-CE1 4.3Å; I319-F371 HydrophobicContact CG2-CE2 4.17Å; I319-F371 HydrophobicContact CG2-CZ 3.87Å; F323-F371 HydrophobicContact CB-CD1 4.31Å; F323-F371 HydrophobicContact CD2-CB 4.02Å; F323-F371 AromaticContact CD2-CD1 3.46Å; F323-F371 HydrophobicContact CD2-CD1 3.46Å; F323-F371 VanDerWaalsContact CD2-CD1 3.46Å; F323-F371 HydrophobicContact CD2-CD2 4.17Å; F323-F371 AromaticContact CD2-CE1 3.9Å; F323-F371 HydrophobicContact CD2-CE1 3.9Å; F323-F371 AromaticContact CD2-CG 3.62Å; F323-F371 HydrophobicContact CD2-CG 3.62Å; F323-F371 HydrophobicContact CD2-CZ 4.41Å; F323-F371 HydrophobicContact CE2-CB 4.16Å; F323-F371 HydrophobicContact CE2-CD1 4.14Å; F323-F371 AromaticContact CE2-CD2 4Å; F323-F371 HydrophobicContact CE2-CD2 4Å; F323-F371 HydrophobicContact CE2-CE2 4.43Å; F323-F371 AromaticContact CE2-CG 3.84Å; F323-F371 HydrophobicContact CE2-CG 3.84Å; F323-F371 HydrophobicContact CG-CD1 4.25Å; F347-F371 HydrophobicContact CD1-CE2 4.17Å; F347-F371 HydrophobicContact CD1-CZ 4.37Å; F347-F371 AromaticContact CE1-CE2 3.91Å; F347-F371 HydrophobicContact CE1-CE2 3.91Å; F347-F371 HydrophobicContact CE1-CZ 4.1Å; L351-F371 HydrophobicContact CD1-CE1 4.3Å; L351-F371 HydrophobicContact CD1-CZ 3.94Å; R369-F371 HydrophobicContact CB-CD1 4.02Å; R369-F371 HydrophobicContact CB-CE1 3.82Å; R369-F371 HydrophobicContact CB-CE2 4.47Å; R369-F371 HydrophobicContact CB-CG 4.44Å; R369-F371 HydrophobicContact CB-CZ 4.06Å; R369-F371 VanDerWaalsContact CD-O 3.27Å; R369-F371 WeakPolarHBondContact CD-O 3.36Å; R369-F371 WeakPolarHBondContact CG-O 3.35Å; F371-V373 HydrophobicContact CD2-CG2 4.46Å; F371-V373 HydrophobicContact CE2-CG2 4.2Å; F371-V399 HydrophobicContact CD2-CG2 3.93Å; F371-V399 HydrophobicContact CE2-CG2 3.76Å
372	K	94.3	Very high	86.2	Confident	94 Å²	94	72 Å²	72	41%	0.409	35%	0.353	S	S	.	.			trans	-87.8	154.3	178.7	-164	167.9	172.9	-171.6	0	110.7	H374 E396 V399	K372-H374 WeakPolarHBondContact CD-NE2 2.92Å; K372-E396 WeakPolarHBondContact CD-OE2 3.31Å; K372-E396 IonicContact NZ-OE1 3.44Å; K372-E396 PolarHBondContact NZ-OE1 2.98Å; K372-E396 IonicContact NZ-OE2 3.3Å; K372-E396 PolarHBondContact NZ-OE2 2.73Å; K372-V399 PolarHBondContact O-N 3.24Å
373	V	95.9	Very high	86.7	Confident	20 Å²	20	69 Å²	69	12%	0.121	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	114.9	171.7	-177.2	0	0	0	0	107	L344 F347 F371 V399 L401	L344-V373 HydrophobicContact CD1-CB 4.35Å; L344-V373 HydrophobicContact CD1-CG1 4Å; F347-V373 HydrophobicContact CB-CG2 4.23Å; F347-V373 HydrophobicContact CD1-CG2 4.2Å; F347-V373 HydrophobicContact CD2-CG1 4.31Å; F347-V373 HydrophobicContact CD2-CG2 4.36Å; F347-V373 HydrophobicContact CG-CG2 4.03Å; F371-V373 HydrophobicContact CD2-CG2 4.46Å; F371-V373 HydrophobicContact CE2-CG2 4.2Å; V373-V399 CarbonylContact C-O 3.6Å; V373-V399 WeakPolarHBondContact CA-O 3.29Å; V373-V399 HydrophobicContact CG2-CB 4.48Å; V373-L401 HydrophobicContact CG1-CD1 3.84Å; V373-L401 HydrophobicContact CG1-CG 3.93Å
374	H	95.5	Very high	87.6	Confident	12 Å²	12	66 Å²	66	6%	0.056	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	148.9	178.6	-60.9	-118.7	0	0	0	108.8	K372 V389 W393 E396 V399 L400 L401	K372-H374 WeakPolarHBondContact CD-NE2 2.92Å; H374-V389 HydrophobicContact CB-CG1 4.29Å; H374-W393 HydrophobicContact CB-CB 4.37Å; H374-W393 AromaticContact CD2-CD1 3.89Å; H374-W393 WeakPolarHBondContact CE1-CA 2.97Å; H374-W393 PolarHBondContact CE1-N 3.33Å; H374-E396 IonicContact CE1-OE2 3.39Å; H374-E396 PolarHBondContact CE1-OE2 3.3Å; H374-E396 IonicContact NE2-OE2 2.66Å; H374-V399 PolarHBondContact N-O 2.85Å; H374-L400 HydrophobicContact CB-CD1 3.76Å; H374-L401 PolarHBondContact O-N 2.92Å
375	I	94.1	Very high	88.5	Confident	27 Å²	27	59.7 Å²	59.7	14%	0.138	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	134.5	176.9	-60.9	-175.1	0	0	0	108.8	L344 N377 L401	L344-I375 HydrophobicContact CB-CD1 3.92Å; L344-I375 HydrophobicContact CD1-CD1 4.18Å; L344-I375 HydrophobicContact CD2-CD1 3.73Å; L344-I375 HydrophobicContact CG-CD1 4.12Å; I375-N377 HydrophobicContact CG2-CB 3.99Å; I375-L401 WeakPolarHBondContact CA-O 3.42Å; I375-L401 HydrophobicContact CD1-CD1 4.43Å; I375-L401 HydrophobicContact CG1-CB 4.3Å; I375-L401 HydrophobicContact CG1-CD1 4.19Å
376	L	92.9	Very high	89.2	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	100.3	168.4	-159.2	70.3	0	0	0	110.6	H380 R386 V389 L400 L401 M402 M406 L410	L376-H380 HydrophobicContact CD1-CB 4.16Å; L376-R386 HydrophobicContact CD1-CB 3.99Å; L376-R386 HydrophobicContact CD1-CG 4.05Å; L376-R386 HydrophobicContact CD2-CB 4.3Å; L376-V389 HydrophobicContact CD1-CB 4.03Å; L376-V389 HydrophobicContact CD1-CG1 4.15Å; L376-V389 HydrophobicContact CD1-CG2 4.49Å; L376-L400 HydrophobicContact CB-CD1 4.22Å; L376-L401 PolarHBondContact N-O 3.25Å; L376-M402 HydrophobicContact CB-CB 4.11Å; L376-M402 HydrophobicContact CD2-CE 4.03Å; L376-M406 HydrophobicContact CD2-CG 3.81Å; L376-M406 HydrophobicContact CD2-SD 4.27Å; L376-M406 HydrophobicContact CG-CG 4.04Å; L376-M406 HydrophobicContact CG-SD 4.38Å; L376-L410 HydrophobicContact CD2-CD1 3.49Å; L376-L410 VanDerWaalsContact CD2-CD1 3.49Å
377	N	86	Confident	89.6	Confident	15 Å²	15	55.8 Å²	55.8	8%	0.08	28%	0.281	C	S	.	.			trans	-125.3	-179.7	-177.5	62.3	-8.3	0	0	0	110.2	L340 I375 E379 H380	L340-N377 HydrophobicContact CD1-CB 4.46Å; I375-N377 HydrophobicContact CG2-CB 3.99Å; N377-E379 VanDerWaalsContact C-N 3.29Å; N377-E379 PolarHBondContact ND2-OE2 3.13Å; N377-E379 PolarHBondContact O-N 2.9Å; N377-H380 WeakPolarHBondContact O-CB 3.44Å; N377-H380 PolarHBondContact O-N 3.01Å; N377-H380 PolarHBondContact OD1-CE1 3.23Å; N377-H380 PolarHBondContact OD1-ND1 3.01Å
378	D	82.1	Confident	89.9	Confident	97 Å²	97	59.8 Å²	59.8	52%	0.519	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-8.5	-169.6	-51.9	-68.5	0	0	0	114.6	H380 K381 M406	D378-H380 PolarHBondContact O-N 3.46Å; D378-K381 WeakPolarHBondContact O-CG 3.32Å; D378-M406 VanDerWaalsContact OD1-CE 3.29Å; D378-M406 WeakPolarHBondContact OD1-CE 3.33Å
379	E	82.5	Confident	90.2	Very high	147 Å²	147	59.3 Å²	59.3	69%	0.687	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-32.3	164	-63.8	169.1	172.3	0	0	111.3	N377 K381	N377-E379 VanDerWaalsContact C-N 3.29Å; N377-E379 PolarHBondContact ND2-OE2 3.13Å; N377-E379 PolarHBondContact O-N 2.9Å; E379-K381 PolarHBondContact O-N 2.98Å
380	H	85.4	Confident	90.4	Very high	44 Å²	44	58.4 Å²	58.4	20%	0.204	29%	0.291	C	S	.	.			trans	-78.9	64.9	175	-62.4	82.7	0	0	0	110.3	L376 N377 D378 T382 S385 R386 V389	L376-H380 HydrophobicContact CD1-CB 4.16Å; N377-H380 WeakPolarHBondContact O-CB 3.44Å; N377-H380 PolarHBondContact O-N 3.01Å; N377-H380 PolarHBondContact OD1-CE1 3.23Å; N377-H380 PolarHBondContact OD1-ND1 3.01Å; D378-H380 PolarHBondContact O-N 3.46Å; H380-T382 VanDerWaalsContact C-N 3.31Å; H380-T382 PolarHBondContact O-N 3.3Å; H380-S385 VanDerWaalsContact C-OG 3.32Å; H380-S385 WeakPolarHBondContact CA-OG 3.46Å; H380-S385 WeakPolarHBondContact CB-OG 3.37Å; H380-R386 HydrophobicContact CB-CG 3.88Å; H380-R386 WeakPolarHBondContact O-CG 3.41Å; H380-R386 PolarHBondContact O-NE 3.2Å; H380-R386 PolarHBondContact O-NH2 2.96Å; H380-V389 WeakPolarHBondContact NE2-CG2 3.4Å
381	K	84.7	Confident	90.6	Very high	181 Å²	181	53.3 Å²	53.3	79%	0.787	28%	0.277	S	S	*	.			trans	-59.8	-33.9	-172.9	-67	-167.6	176.9	-168.2	0	113.8	D378 E379	D378-K381 WeakPolarHBondContact O-CG 3.32Å; E379-K381 PolarHBondContact O-N 2.98Å
382	T	88.2	Confident	90.6	Very high	86 Å²	86	54.7 Å²	54.7	53%	0.528	29%	0.285	S	S	.	.	S	Bend	trans	-97.3	146.4	-176	67.1	0	0	0	0	113.2	H380 A384 S385 R386	H380-T382 VanDerWaalsContact C-N 3.31Å; H380-T382 PolarHBondContact O-N 3.3Å; T382-A384 PolarHBondContact O-N 3.33Å; T382-S385 PolarHBondContact N-OG 2.89Å; T382-S385 PolarHBondContact O-N 3.48Å; T382-S385 PolarHBondContact O-OG 3.07Å; T382-S385 WeakPolarHBondContact OG1-CB 3.3Å; T382-S385 PolarHBondContact OG1-N 3.49Å; T382-S385 PolarHBondContact OG1-OG 3.14Å; T382-R386 PolarHBondContact O-N 2.9Å; T382-R386 VanDerWaalsContact O-N 3.13Å
383	V	86.6	Confident	90.7	Very high	44 Å²	44	50.2 Å²	50.2	27%	0.267	27%	0.266	S	S	.	.	H	α-helix	trans	-56.1	-39.8	176.8	-175.3	0	0	0	0	111.7	S385 R386 A387 L416 F444 F448	V383-S385 PolarHBondContact O-N 3.17Å; V383-R386 PolarHBondContact O-N 3.36Å; V383-A387 WeakPolarHBondContact O-CB 3.35Å; V383-A387 PolarHBondContact O-N 3.25Å; V383-L416 HydrophobicContact CG2-CD2 3.9Å; V383-F444 HydrophobicContact CB-CD2 4.38Å; V383-F444 HydrophobicContact CG1-CB 3.98Å; V383-F444 HydrophobicContact CG1-CD2 3.74Å; V383-F444 HydrophobicContact CG1-CG 4.13Å; V383-F448 HydrophobicContact CG1-CE2 3.9Å; V383-F448 HydrophobicContact CG1-CZ 4.4Å
384	A	89.6	Confident	90.6	Very high	50 Å²	50	52.8 Å²	52.8	41%	0.413	28%	0.282	S	S	.	.	H	α-helix	trans	-62.1	-39.1	176	0	0	0	0	0	113	T382 A387 K388 F444	T382-A384 PolarHBondContact O-N 3.33Å; A384-A387 PolarHBondContact O-N 3.03Å; A384-K388 WeakPolarHBondContact O-CB 3.36Å; A384-K388 PolarHBondContact O-N 3.28Å; A384-F444 HydrophobicContact CB-CE2 3.95Å; A384-F444 HydrophobicContact CB-CZ 3.66Å
385	S	91.5	Very high	90.6	Very high	31 Å²	31	56.8 Å²	56.8	22%	0.217	31%	0.311	C	S	.	.	H	α-helix	trans	-65.9	-38.2	174.8	70.8	0	0	0	0	112.1	H380 T382 V383 K388 V389	H380-S385 VanDerWaalsContact C-OG 3.32Å; H380-S385 WeakPolarHBondContact CA-OG 3.46Å; H380-S385 WeakPolarHBondContact CB-OG 3.37Å; T382-S385 PolarHBondContact N-OG 2.89Å; T382-S385 PolarHBondContact O-N 3.48Å; T382-S385 PolarHBondContact O-OG 3.07Å; T382-S385 WeakPolarHBondContact OG1-CB 3.3Å; T382-S385 PolarHBondContact OG1-N 3.49Å; T382-S385 PolarHBondContact OG1-OG 3.14Å; V383-S385 PolarHBondContact O-N 3.17Å; S385-K388 PolarHBondContact O-N 2.89Å; S385-V389 PolarHBondContact O-N 3.16Å
386	R	92.8	Very high	90.6	Very high	40 Å²	40	60.5 Å²	60.5	15%	0.151	33%	0.328	C	S	.	.	H	α-helix	trans	-67.9	-41.5	175.9	-59.7	179	-174	-169.4	-1.7	112.4	L376 H380 T382 V383 T390 M406 F448	L376-R386 HydrophobicContact CD1-CB 3.99Å; L376-R386 HydrophobicContact CD1-CG 4.05Å; L376-R386 HydrophobicContact CD2-CB 4.3Å; H380-R386 HydrophobicContact CB-CG 3.88Å; H380-R386 WeakPolarHBondContact O-CG 3.41Å; H380-R386 PolarHBondContact O-NE 3.2Å; H380-R386 PolarHBondContact O-NH2 2.96Å; T382-R386 PolarHBondContact O-N 2.9Å; T382-R386 VanDerWaalsContact O-N 3.13Å; V383-R386 PolarHBondContact O-N 3.36Å; R386-T390 WeakPolarHBondContact O-CB 3.44Å; R386-T390 PolarHBondContact O-N 3.15Å; R386-T390 VanDerWaalsContact O-N 3.17Å; R386-T390 PolarHBondContact O-OG1 3.16Å; R386-M406 VanDerWaalsContact CZ-SD 3.57Å; R386-M406 PolarHBondContact NH1-SD 3.06Å; R386-F448 HydrophobicContact CB-CE1 4.26Å; R386-F448 HydrophobicContact CB-CZ 3.93Å
387	A	91.4	Very high	90.6	Very high	4 Å²	4	60.9 Å²	60.9	3%	0.033	33%	0.331	C	S	.	.	H	α-helix	trans	-62.5	-44.9	175.7	0	0	0	0	0	110.7	V383 A384 V389 T390 A391 F444 F448	V383-A387 WeakPolarHBondContact O-CB 3.35Å; V383-A387 PolarHBondContact O-N 3.25Å; A384-A387 PolarHBondContact O-N 3.03Å; A387-V389 PolarHBondContact O-N 3.4Å; A387-T390 PolarHBondContact O-N 2.89Å; A387-A391 WeakPolarHBondContact O-CB 3.5Å; A387-A391 PolarHBondContact O-N 3.09Å; A387-F444 HydrophobicContact CB-CB 4.42Å; A387-F444 HydrophobicContact CB-CD1 3.36Å; A387-F444 HydrophobicContact CB-CE1 3.73Å; A387-F444 HydrophobicContact CB-CG 4.01Å; A387-F448 HydrophobicContact CB-CE1 4.39Å; A387-F448 HydrophobicContact CB-CE2 4.41Å; A387-F448 HydrophobicContact CB-CZ 3.83Å
388	K	93.3	Very high	91.1	Very high	136 Å²	136	60.3 Å²	60.3	59%	0.591	33%	0.329	S	S	*	.	H	α-helix	trans	-55.6	-54.5	175.7	-171.8	-166	169.4	-168.4	0	112.2	A384 S385 T390 A391 D392	A384-K388 WeakPolarHBondContact O-CB 3.36Å; A384-K388 PolarHBondContact O-N 3.28Å; S385-K388 PolarHBondContact O-N 2.89Å; K388-T390 PolarHBondContact O-N 2.86Å; K388-A391 PolarHBondContact O-N 3.45Å; K388-A391 VanDerWaalsContact O-N 3.11Å; K388-D392 WeakPolarHBondContact CE-OD2 3.07Å; K388-D392 WeakPolarHBondContact O-CB 3.2Å; K388-D392 VanDerWaalsContact O-CG 3.23Å; K388-D392 PolarHBondContact O-N 2.94Å
389	V	94.6	Very high	91.9	Very high	19 Å²	19	55.7 Å²	55.7	12%	0.115	30%	0.304	C	S	.	.	H	α-helix	trans	-59	-36.2	-179.6	172.9	0	0	0	0	112	H374 L376 H380 S385 A387 W393 L400	H374-V389 HydrophobicContact CB-CG1 4.29Å; L376-V389 HydrophobicContact CD1-CB 4.03Å; L376-V389 HydrophobicContact CD1-CG1 4.15Å; L376-V389 HydrophobicContact CD1-CG2 4.49Å; H380-V389 WeakPolarHBondContact NE2-CG2 3.4Å; S385-V389 PolarHBondContact O-N 3.16Å; A387-V389 PolarHBondContact O-N 3.4Å; V389-W393 WeakPolarHBondContact O-CB 3.4Å; V389-W393 PolarHBondContact O-N 3.49Å; V389-L400 HydrophobicContact CG1-CD1 4.37Å
390	T	94.1	Very high	92.6	Very high	4 Å²	4	48.7 Å²	48.7	3%	0.025	27%	0.271	C	S	.	.	H	α-helix	trans	-69.9	-41	177.7	-52.9	0	0	0	0	111.5	R386 A387 K388 W393 V394 F448 A451	R386-T390 WeakPolarHBondContact O-CB 3.44Å; R386-T390 PolarHBondContact O-N 3.15Å; R386-T390 VanDerWaalsContact O-N 3.17Å; R386-T390 PolarHBondContact O-OG1 3.16Å; A387-T390 PolarHBondContact O-N 2.89Å; K388-T390 PolarHBondContact O-N 2.86Å; T390-W393 HydrophobicContact CG2-CE3 4.44Å; T390-V394 VanDerWaalsContact O-CG2 3.31Å; T390-V394 WeakPolarHBondContact O-CG2 3.4Å; T390-V394 PolarHBondContact O-N 3.13Å; T390-F448 HydrophobicContact CG2-CD1 4.26Å; T390-A451 HydrophobicContact CG2-CB 3.49Å; T390-A451 VanDerWaalsContact CG2-CB 3.49Å
391	A	93.1	Very high	93.1	Very high	45 Å²	45	46.6 Å²	46.6	37%	0.372	26%	0.262	S	S	.	.	H	α-helix	trans	-68.9	-42.9	176.1	0	0	0	0	0	112.2	A387 K388 W393 V394 S395	A387-A391 WeakPolarHBondContact O-CB 3.5Å; A387-A391 PolarHBondContact O-N 3.09Å; K388-A391 PolarHBondContact O-N 3.45Å; K388-A391 VanDerWaalsContact O-N 3.11Å; A391-W393 PolarHBondContact O-N 3.05Å; A391-V394 PolarHBondContact O-N 3.42Å; A391-S395 WeakPolarHBondContact O-CB 3.47Å; A391-S395 PolarHBondContact O-N 3.49Å; A391-S395 PolarHBondContact O-OG 2.82Å
392	D	94.9	Very high	93.6	Very high	52 Å²	52	38 Å²	38	28%	0.278	22%	0.224	S	C	.	.	H	α-helix	trans	-53.6	-53.4	173	-69.6	-13.4	0	0	0	109	K388 V394 S395 E396	K388-D392 WeakPolarHBondContact CE-OD2 3.07Å; K388-D392 WeakPolarHBondContact O-CB 3.2Å; K388-D392 VanDerWaalsContact O-CG 3.23Å; K388-D392 PolarHBondContact O-N 2.94Å; D392-V394 PolarHBondContact O-N 3.14Å; D392-S395 PolarHBondContact O-N 3.09Å; D392-S395 VanDerWaalsContact O-N 3.07Å; D392-S395 PolarHBondContact O-OG 3.05Å; D392-E396 WeakPolarHBondContact O-CB 3.45Å; D392-E396 PolarHBondContact O-N 3.32Å
393	W	96.2	Very high	93.9	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	20%	0.202	C	C	.	.	H	α-helix	trans	-59.9	-41.5	176.8	169.1	63.4	0	0	0	114.3	T330 L332 H374 V389 T390 A391 S395 G397 G398 L400 L452 P457	T330-W393 HydrophobicContact CG2-CZ2 4.22Å; L332-W393 HydrophobicContact CB-CH2 4.21Å; L332-W393 HydrophobicContact CB-CZ2 4.34Å; L332-W393 HydrophobicContact CD1-CH2 4.3Å; H374-W393 HydrophobicContact CB-CB 4.37Å; H374-W393 AromaticContact CD2-CD1 3.89Å; H374-W393 WeakPolarHBondContact CE1-CA 2.97Å; H374-W393 PolarHBondContact CE1-N 3.33Å; V389-W393 WeakPolarHBondContact O-CB 3.4Å; V389-W393 PolarHBondContact O-N 3.49Å; T390-W393 HydrophobicContact CG2-CE3 4.44Å; A391-W393 PolarHBondContact O-N 3.05Å; W393-S395 PolarHBondContact O-N 3.35Å; W393-G397 VanDerWaalsContact O-CA 3.22Å; W393-G397 WeakPolarHBondContact O-CA 3.46Å; W393-G397 PolarHBondContact O-N 2.88Å; W393-G398 PolarHBondContact NE1-O 2.87Å; W393-L400 HydrophobicContact CD2-CB 3.59Å; W393-L400 HydrophobicContact CD2-CD2 3.93Å; W393-L400 HydrophobicContact CD2-CG 4.35Å; W393-L400 VanDerWaalsContact CE2-CB 3.5Å; W393-L400 HydrophobicContact CE3-CB 4.1Å; W393-L400 HydrophobicContact CE3-CD2 3.55Å; W393-L400 HydrophobicContact CE3-CG 4.45Å; W393-L400 HydrophobicContact CG-CB 3.88Å; W393-L400 HydrophobicContact CH2-CB 4.34Å; W393-L400 HydrophobicContact CH2-CD2 4.32Å; W393-L400 HydrophobicContact CZ2-CB 3.89Å; W393-L400 HydrophobicContact CZ3-CB 4.45Å; W393-L400 HydrophobicContact CZ3-CD2 3.78Å; W393-L452 HydrophobicContact CZ3-CD2 4.07Å; W393-P457 HydrophobicContact CH2-CB 3.99Å; W393-P457 HydrophobicContact CZ2-CB 4.26Å
394	V	94.1	Very high	94.2	Very high	74 Å²	74	32.6 Å²	32.6	45%	0.448	19%	0.192	S	C	.	.	H	α-helix	trans	-66.6	-26.1	176.3	168.1	0	0	0	0	112	T390 A391 D392 A451	T390-V394 VanDerWaalsContact O-CG2 3.31Å; T390-V394 WeakPolarHBondContact O-CG2 3.4Å; T390-V394 PolarHBondContact O-N 3.13Å; A391-V394 PolarHBondContact O-N 3.42Å; D392-V394 PolarHBondContact O-N 3.14Å; V394-A451 HydrophobicContact CG2-CB 3.64Å
395	S	94.1	Very high	94.2	Very high	96 Å²	96	34.1 Å²	34.1	67%	0.671	19%	0.19	S	C	*	.	H	α-helix	trans	-89.4	-41	-179.7	75.9	0	0	0	0	114.1	A391 D392 W393	A391-S395 WeakPolarHBondContact O-CB 3.47Å; A391-S395 PolarHBondContact O-N 3.49Å; A391-S395 PolarHBondContact O-OG 2.82Å; D392-S395 PolarHBondContact O-N 3.09Å; D392-S395 VanDerWaalsContact O-N 3.07Å; D392-S395 PolarHBondContact O-OG 3.05Å; W393-S395 PolarHBondContact O-N 3.35Å
396	E	94	Very high	94.2	Very high	105 Å²	105	33 Å²	33	49%	0.491	18%	0.182	S	C	.	.	H	α-helix	trans	-87.2	-29.7	-179.2	-66.2	174.1	121.4	0	0	112.3	K372 H374 D392	K372-E396 WeakPolarHBondContact CD-OE2 3.31Å; K372-E396 IonicContact NZ-OE1 3.44Å; K372-E396 PolarHBondContact NZ-OE1 2.98Å; K372-E396 IonicContact NZ-OE2 3.3Å; K372-E396 PolarHBondContact NZ-OE2 2.73Å; H374-E396 IonicContact CE1-OE2 3.39Å; H374-E396 PolarHBondContact CE1-OE2 3.3Å; H374-E396 IonicContact NE2-OE2 2.66Å; D392-E396 WeakPolarHBondContact O-CB 3.45Å; D392-E396 PolarHBondContact O-N 3.32Å
397	G	94.5	Very high	94.3	Very high	7 Å²	7	31.1 Å²	31.1	7%	0.072	18%	0.175	C	C	.	.			trans	80.1	-170.6	-172.8	0	0	0	0	0	113.9	K329 W393	K329-G397 CarbonylContact O-C 3.54Å; K329-G397 WeakPolarHBondContact O-CA 3.43Å; W393-G397 VanDerWaalsContact O-CA 3.22Å; W393-G397 WeakPolarHBondContact O-CA 3.46Å; W393-G397 PolarHBondContact O-N 2.88Å
398	G	96.3	Very high	94.3	Very high	3 Å²	3	34 Å²	34	3%	0.031	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	94.6	-147.4	-177.2	0	0	0	0	0	113.5	K329 V331 W393	K329-G398 PolarHBondContact O-N 2.91Å; V331-G398 PolarHBondContact N-O 2.97Å; W393-G398 PolarHBondContact NE1-O 2.87Å
399	V	97.5	Very high	94.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	130.9	-170.2	-172.7	0	0	0	0	110.6	I319 F323 V331 A333 F347 F371 K372 V373 H374 L401	I319-V399 HydrophobicContact CG2-CG2 3.94Å; F323-V399 HydrophobicContact CE2-CG2 4Å; V331-V399 HydrophobicContact CB-CG2 4.3Å; V331-V399 HydrophobicContact CG1-CG1 4.45Å; V331-V399 CarbonylContact O-C 3.6Å; V331-V399 VanDerWaalsContact O-CA 3.32Å; V331-V399 WeakPolarHBondContact O-CA 3.4Å; A333-V399 HydrophobicContact CB-CG1 4.49Å; F347-V399 HydrophobicContact CE1-CG2 4.2Å; F347-V399 HydrophobicContact CE2-CG1 4.13Å; F347-V399 HydrophobicContact CZ-CB 4.4Å; F347-V399 HydrophobicContact CZ-CG1 4.04Å; F347-V399 HydrophobicContact CZ-CG2 3.92Å; F371-V399 HydrophobicContact CD2-CG2 3.93Å; F371-V399 HydrophobicContact CE2-CG2 3.76Å; K372-V399 PolarHBondContact O-N 3.24Å; V373-V399 CarbonylContact C-O 3.6Å; V373-V399 WeakPolarHBondContact CA-O 3.29Å; V373-V399 HydrophobicContact CG2-CB 4.48Å; H374-V399 PolarHBondContact N-O 2.85Å; V399-L401 HydrophobicContact CG1-CD2 3.74Å
400	L	97.6	Very high	93.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	119.4	166.4	177.3	59.9	0	0	0	109.9	V331 L332 A333 H374 L376 V389 W393 L452	V331-L400 PolarHBondContact O-N 3.33Å; L332-L400 HydrophobicContact CD1-CB 4.07Å; L332-L400 HydrophobicContact CD1-CD2 3.91Å; L332-L400 HydrophobicContact CD1-CG 3.99Å; A333-L400 PolarHBondContact N-O 2.83Å; H374-L400 HydrophobicContact CB-CD1 3.76Å; L376-L400 HydrophobicContact CB-CD1 4.22Å; V389-L400 HydrophobicContact CG1-CD1 4.37Å; W393-L400 HydrophobicContact CD2-CB 3.59Å; W393-L400 HydrophobicContact CD2-CD2 3.93Å; W393-L400 HydrophobicContact CD2-CG 4.35Å; W393-L400 VanDerWaalsContact CE2-CB 3.5Å; W393-L400 HydrophobicContact CE3-CB 4.1Å; W393-L400 HydrophobicContact CE3-CD2 3.55Å; W393-L400 HydrophobicContact CE3-CG 4.45Å; W393-L400 HydrophobicContact CG-CB 3.88Å; W393-L400 HydrophobicContact CH2-CB 4.34Å; W393-L400 HydrophobicContact CH2-CD2 4.32Å; W393-L400 HydrophobicContact CZ2-CB 3.89Å; W393-L400 HydrophobicContact CZ3-CB 4.45Å; W393-L400 HydrophobicContact CZ3-CD2 3.78Å; L400-L452 HydrophobicContact CD2-CD2 4.21Å
401	L	96.8	Very high	93.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127.4	171.5	-50.6	-175.4	0	0	0	109.3	A333 L340 W343 L344 F347 V373 H374 I375 L376 V399	A333-L401 HydrophobicContact CB-CD2 3.8Å; A333-L401 WeakPolarHBondContact O-CA 3.37Å; L340-L401 HydrophobicContact CD2-CB 3.84Å; W343-L401 HydrophobicContact CB-CD1 3.93Å; L344-L401 HydrophobicContact CB-CD1 4.38Å; F347-L401 HydrophobicContact CE2-CD2 4.07Å; V373-L401 HydrophobicContact CG1-CD1 3.84Å; V373-L401 HydrophobicContact CG1-CG 3.93Å; H374-L401 PolarHBondContact O-N 2.92Å; I375-L401 WeakPolarHBondContact CA-O 3.42Å; I375-L401 HydrophobicContact CD1-CD1 4.43Å; I375-L401 HydrophobicContact CG1-CB 4.3Å; I375-L401 HydrophobicContact CG1-CD1 4.19Å; L376-L401 PolarHBondContact N-O 3.25Å; V399-L401 HydrophobicContact CG1-CD2 3.74Å
402	M	95.1	Very high	93.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	156.6	174.9	73.4	-174.6	-48.7	0	0	113.3	L332 A333 I334 V335 L376 M406 Y407 L410 L452	L332-M402 HydrophobicContact CD1-CG 4.24Å; L332-M402 HydrophobicContact CD1-SD 3.73Å; A333-M402 PolarHBondContact O-N 2.95Å; I334-M402 WeakPolarHBondContact CA-O 3.32Å; I334-M402 HydrophobicContact CG1-CG 4.36Å; V335-M402 PolarHBondContact N-O 3.02Å; L376-M402 HydrophobicContact CB-CB 4.11Å; L376-M402 HydrophobicContact CD2-CE 4.03Å; M402-M406 HydrophobicContact CE-CB 4.08Å; M402-M406 HydrophobicContact CE-CG 3.74Å; M402-Y407 HydrophobicContact SD-CD2 3.9Å; M402-Y407 HydrophobicContact SD-CG 4.39Å; M402-L410 HydrophobicContact CE-CD1 4.01Å; M402-L452 HydrophobicContact CE-CD1 4.39Å; M402-L452 HydrophobicContact SD-CD2 4.35Å
403	G	93.4	Very high	91.7	Very high	7 Å²	7	36.2 Å²	36.2	7%	0.072	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	147.6	173.5	0	0	0	0	0	113	V335 E405 M406 Y407	V335-G403 WeakPolarHBondContact O-CA 3.49Å; G403-E405 PolarHBondContact O-N 3.3Å; G403-M406 WeakPolarHBondContact O-CB 3.37Å; G403-M406 PolarHBondContact O-N 2.88Å; G403-Y407 PolarHBondContact O-N 3.3Å
404	Y	92.7	Very high	89.7	Confident	10 Å²	10	45.6 Å²	45.6	4%	0.039	23%	0.23	C	C	.	.	H	α-helix	trans	-49.5	-42.6	169.5	-83.1	-87.7	0	0	0	113.1	I334 V335 Y407 R408 D463 R467 T475 L479	I334-Y404 HydrophobicContact CG2-CD1 3.67Å; I334-Y404 HydrophobicContact CG2-CD2 3.96Å; I334-Y404 HydrophobicContact CG2-CE1 3.93Å; I334-Y404 HydrophobicContact CG2-CE2 4.19Å; I334-Y404 HydrophobicContact CG2-CG 3.69Å; V335-Y404 WeakPolarHBondContact O-CD2 3.39Å; V335-Y404 PolarHBondContact O-N 3.38Å; Y404-Y407 PolarHBondContact O-N 3.46Å; Y404-R408 PolarHBondContact O-N 3.26Å; Y404-D463 VanDerWaalsContact CE2-O 3.29Å; Y404-D463 WeakPolarHBondContact CE2-O 3.31Å; Y404-D463 PolarHBondContact OH-O 2.67Å; Y404-R467 HydrophobicContact CE1-CB 4.4Å; Y404-T475 HydrophobicContact CD1-CG2 3.83Å; Y404-L479 HydrophobicContact CD1-CD1 4.22Å; Y404-L479 HydrophobicContact CE1-CD1 3.96Å
405	E	90.6	Very high	87.5	Confident	83 Å²	83	46 Å²	46	39%	0.388	24%	0.236	S	C	.	.	H	α-helix	trans	-71.5	-43.1	-178.9	-177.4	51.9	-148.7	0	0	111.9	G403 Y407 R408 L409	G403-E405 PolarHBondContact O-N 3.3Å; E405-Y407 VanDerWaalsContact C-N 3.26Å; E405-Y407 PolarHBondContact O-N 3.34Å; E405-R408 VanDerWaalsContact CD-NE 3.25Å; E405-R408 WeakPolarHBondContact O-CB 3.32Å; E405-R408 PolarHBondContact O-N 2.84Å; E405-R408 VanDerWaalsContact O-N 3.11Å; E405-R408 IonicContact OE1-CZ 3.09Å; E405-R408 VanDerWaalsContact OE1-CZ 3.24Å; E405-R408 IonicContact OE1-NE 3.39Å; E405-R408 PolarHBondContact OE1-NE 3.27Å; E405-R408 IonicContact OE1-NH2 2.7Å; E405-R408 PolarHBondContact OE1-NH2 2.94Å; E405-R408 WeakPolarHBondContact OE2-CD 3.37Å; E405-R408 IonicContact OE2-CZ 2.69Å; E405-R408 IonicContact OE2-NE 2.77Å; E405-R408 PolarHBondContact OE2-NE 3.28Å; E405-R408 IonicContact OE2-NH2 3.96Å; E405-L409 HydrophobicContact CG-CD1 4.11Å; E405-L409 HydrophobicContact CG-CG 4.47Å; E405-L409 WeakPolarHBondContact O-CG 3.44Å; E405-L409 PolarHBondContact O-N 3.3Å; E405-L409 VanDerWaalsContact OE1-CG 3.3Å; E405-L409 WeakPolarHBondContact OE1-CG 3.5Å
406	M	92	Very high	85.4	Confident	8 Å²	8	46.1 Å²	46.1	4%	0.039	23%	0.228	C	C	.	.	H	α-helix	trans	-55.8	-42.3	171.7	-171.3	64.8	67.6	0	0	111.4	L376 D378 R386 M402 G403 L410	L376-M406 HydrophobicContact CD2-CG 3.81Å; L376-M406 HydrophobicContact CD2-SD 4.27Å; L376-M406 HydrophobicContact CG-CG 4.04Å; L376-M406 HydrophobicContact CG-SD 4.38Å; D378-M406 VanDerWaalsContact OD1-CE 3.29Å; D378-M406 WeakPolarHBondContact OD1-CE 3.33Å; R386-M406 VanDerWaalsContact CZ-SD 3.57Å; R386-M406 PolarHBondContact NH1-SD 3.06Å; M402-M406 HydrophobicContact CE-CB 4.08Å; M402-M406 HydrophobicContact CE-CG 3.74Å; G403-M406 WeakPolarHBondContact O-CB 3.37Å; G403-M406 PolarHBondContact O-N 2.88Å; M406-L410 HydrophobicContact CG-CD1 4.02Å; M406-L410 WeakPolarHBondContact O-CB 3.35Å; M406-L410 VanDerWaalsContact O-CG 3.25Å; M406-L410 WeakPolarHBondContact O-CG 3.5Å; M406-L410 PolarHBondContact O-N 3.09Å; M406-L410 VanDerWaalsContact O-N 3.16Å; M406-L410 HydrophobicContact SD-CD1 4.12Å; M406-L410 HydrophobicContact SD-CG 4.46Å
407	Y	94	Very high	83	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.4	-43.5	176.4	176.3	-86	0	0	0	111.7	L332 I334 M402 G403 Y404 E405 L410 T411 L452 C453 A478 L479 I482	L332-Y407 HydrophobicContact CD2-CD2 4.26Å; L332-Y407 HydrophobicContact CD2-CE2 4.18Å; I334-Y407 HydrophobicContact CD1-CD1 4.2Å; I334-Y407 HydrophobicContact CD1-CD2 3.6Å; I334-Y407 HydrophobicContact CD1-CE2 4.01Å; I334-Y407 HydrophobicContact CD1-CG 3.73Å; I334-Y407 HydrophobicContact CG1-CD2 4.36Å; M402-Y407 HydrophobicContact SD-CD2 3.9Å; M402-Y407 HydrophobicContact SD-CG 4.39Å; G403-Y407 PolarHBondContact O-N 3.3Å; Y404-Y407 PolarHBondContact O-N 3.46Å; E405-Y407 VanDerWaalsContact C-N 3.26Å; E405-Y407 PolarHBondContact O-N 3.34Å; Y407-L410 PolarHBondContact O-N 3.4Å; Y407-T411 HydrophobicContact CD2-CG2 4.3Å; Y407-T411 HydrophobicContact CE1-CG2 4.24Å; Y407-T411 HydrophobicContact CE2-CG2 3.84Å; Y407-T411 WeakPolarHBondContact O-CB 3.32Å; Y407-T411 WeakPolarHBondContact O-CG2 2.75Å; Y407-T411 PolarHBondContact O-N 3.02Å; Y407-T411 PolarHBondContact O-OG1 2.99Å; Y407-L452 HydrophobicContact CE2-CB 4.1Å; Y407-C453 PolarHBondContact OH-SG 2.87Å; Y407-A478 HydrophobicContact CD1-CB 4.24Å; Y407-A478 HydrophobicContact CE1-CB 3.83Å; Y407-A478 PolarHBondContact OH-O 2.61Å; Y407-A478 VanDerWaalsContact OH-O 3.12Å; Y407-L479 HydrophobicContact CD1-CD2 4.02Å; Y407-L479 HydrophobicContact CD1-CG 4.48Å; Y407-L479 HydrophobicContact CE1-CD2 3.91Å; Y407-L479 HydrophobicContact CE1-CG 4.29Å; Y407-I482 HydrophobicContact CE2-CD1 4.24Å; Y407-I482 HydrophobicContact CE2-CG1 4.45Å; Y407-I482 WeakPolarHBondContact OH-CG1 3.38Å
408	R	92.2	Very high	80.4	Confident	65 Å²	65	48.7 Å²	48.7	25%	0.245	26%	0.255	C	S	.	.	H	α-helix	trans	-59.5	-49.1	177	-171.1	-170.3	80.5	100.3	1.7	111.7	Y404 E405 L410 T411 L412 S474 T475 A478	Y404-R408 PolarHBondContact O-N 3.26Å; E405-R408 VanDerWaalsContact CD-NE 3.25Å; E405-R408 WeakPolarHBondContact O-CB 3.32Å; E405-R408 PolarHBondContact O-N 2.84Å; E405-R408 VanDerWaalsContact O-N 3.11Å; E405-R408 IonicContact OE1-CZ 3.09Å; E405-R408 VanDerWaalsContact OE1-CZ 3.24Å; E405-R408 IonicContact OE1-NE 3.39Å; E405-R408 PolarHBondContact OE1-NE 3.27Å; E405-R408 IonicContact OE1-NH2 2.7Å; E405-R408 PolarHBondContact OE1-NH2 2.94Å; E405-R408 WeakPolarHBondContact OE2-CD 3.37Å; E405-R408 IonicContact OE2-CZ 2.69Å; E405-R408 IonicContact OE2-NE 2.77Å; E405-R408 PolarHBondContact OE2-NE 3.28Å; E405-R408 IonicContact OE2-NH2 3.96Å; R408-L410 PolarHBondContact O-N 3.44Å; R408-T411 PolarHBondContact O-N 3.23Å; R408-L412 HydrophobicContact CG-CD1 3.6Å; R408-L412 HydrophobicContact CG-CG 4.23Å; R408-L412 WeakPolarHBondContact O-CB 3.26Å; R408-L412 WeakPolarHBondContact O-CG 3.33Å; R408-L412 PolarHBondContact O-N 2.85Å; R408-S474 WeakPolarHBondContact CD-OG 3.42Å; R408-S474 PolarHBondContact NH1-OG 2.7Å; R408-S474 VanDerWaalsContact NH1-OG 3.09Å; R408-T475 WeakPolarHBondContact CD-OG1 3.38Å; R408-A478 HydrophobicContact CG-CB 4.42Å
409	L	89.3	Confident	77.7	Confident	66 Å²	66	53.6 Å²	53.6	35%	0.346	29%	0.288	S	S	.	.	H	α-helix	trans	-63.6	-36.8	-178.6	-70	170.5	0	0	0	113.3	E405	E405-L409 HydrophobicContact CG-CD1 4.11Å; E405-L409 HydrophobicContact CG-CG 4.47Å; E405-L409 WeakPolarHBondContact O-CG 3.44Å; E405-L409 PolarHBondContact O-N 3.3Å; E405-L409 VanDerWaalsContact OE1-CG 3.3Å; E405-L409 WeakPolarHBondContact OE1-CG 3.5Å
410	L	90	Very high	74.8	Confident	22 Å²	22	64 Å²	64	12%	0.115	33%	0.328	C	S	.	.	H	α-helix	trans	-82.2	-17.1	-177.9	-65.3	175.8	0	0	0	114	L376 M402 M406 Y407 R408 F448 L452	L376-L410 HydrophobicContact CD2-CD1 3.49Å; L376-L410 VanDerWaalsContact CD2-CD1 3.49Å; M402-L410 HydrophobicContact CE-CD1 4.01Å; M406-L410 HydrophobicContact CG-CD1 4.02Å; M406-L410 WeakPolarHBondContact O-CB 3.35Å; M406-L410 VanDerWaalsContact O-CG 3.25Å; M406-L410 WeakPolarHBondContact O-CG 3.5Å; M406-L410 PolarHBondContact O-N 3.09Å; M406-L410 VanDerWaalsContact O-N 3.16Å; M406-L410 HydrophobicContact SD-CD1 4.12Å; M406-L410 HydrophobicContact SD-CG 4.46Å; Y407-L410 PolarHBondContact O-N 3.4Å; R408-L410 PolarHBondContact O-N 3.44Å; L410-F448 HydrophobicContact CB-CD1 4.32Å; L410-F448 HydrophobicContact CB-CG 4.24Å; L410-F448 HydrophobicContact CD1-CD1 4.14Å; L410-F448 HydrophobicContact CD1-CE1 3.96Å; L410-F448 HydrophobicContact CD1-CZ 4.47Å; L410-F448 HydrophobicContact CD2-CD1 4.3Å; L410-F448 HydrophobicContact CD2-CD2 4.06Å; L410-F448 HydrophobicContact CD2-CE1 3.97Å; L410-F448 HydrophobicContact CD2-CE2 3.74Å; L410-F448 HydrophobicContact CD2-CG 4.36Å; L410-F448 HydrophobicContact CD2-CZ 3.69Å; L410-F448 HydrophobicContact CG-CD1 4.49Å; L410-F448 HydrophobicContact CG-CE1 4.45Å; L410-L452 HydrophobicContact CB-CD1 4.25Å
411	T	88.1	Confident	72.1	Confident	20 Å²	20	69.4 Å²	69.4	12%	0.123	36%	0.363	C	S	.	.	H	α-helix	trans	-113.8	-23.8	-173.4	60.5	0	0	0	0	114.8	Y407 R408 L452 C453	Y407-T411 HydrophobicContact CD2-CG2 4.3Å; Y407-T411 HydrophobicContact CE1-CG2 4.24Å; Y407-T411 HydrophobicContact CE2-CG2 3.84Å; Y407-T411 WeakPolarHBondContact O-CB 3.32Å; Y407-T411 WeakPolarHBondContact O-CG2 2.75Å; Y407-T411 PolarHBondContact O-N 3.02Å; Y407-T411 PolarHBondContact O-OG1 2.99Å; R408-T411 PolarHBondContact O-N 3.23Å; T411-L452 HydrophobicContact CG2-CB 4.03Å; T411-L452 HydrophobicContact CG2-CD1 4.02Å; T411-C453 VanDerWaalsContact CG2-SG 3.57Å
412	L	81.2	Confident	69.4	Low	44 Å²	44	77.7 Å²	77.7	23%	0.23	40%	0.399	C	S	.	.			trans	-80.8	128.9	176.2	-67.3	-174.8	0	0	0	112.2	R408 K414 A478	R408-L412 HydrophobicContact CG-CD1 3.6Å; R408-L412 HydrophobicContact CG-CG 4.23Å; R408-L412 WeakPolarHBondContact O-CB 3.26Å; R408-L412 WeakPolarHBondContact O-CG 3.33Å; R408-L412 PolarHBondContact O-N 2.85Å; L412-K414 PolarHBondContact O-N 2.85Å; L412-A478 HydrophobicContact CD1-CB 4.44Å; L412-A478 HydrophobicContact CD2-CB 3.79Å; L412-A478 HydrophobicContact CG-CB 3.93Å
413	K	65.2	Low	66.9	Low	150 Å²	150	88 Å²	88	65%	0.652	44%	0.443	S	S	*	.	S	Bend	trans	-74.1	16.5	-175	-54.4	-167.7	177.1	-169.9	0	115	E449	K413-E449 WeakPolarHBondContact CE-OE2 3.41Å; K413-E449 IonicContact NZ-OE1 3.88Å; K413-E449 PolarHBondContact NZ-OE1 3.23Å; K413-E449 IonicContact NZ-OE2 2.59Å; K413-E449 PolarHBondContact NZ-OE2 2.66Å
414	K	54.7	Low	64.5	Low	198 Å²	198	92.9 Å²	92.9	86%	0.861	47%	0.472	S	S	*	.	S	Bend	trans	-135.9	90.4	-177.7	-68.6	179.7	-178.7	173.7	0	110.5	L412	L412-K414 PolarHBondContact O-N 2.85Å
415	S	48.9	Very low	62.3	Low	83 Å²	83	101.3 Å²	101.3	58%	0.58	51%	0.509	S	S	*	.	S	Bend	trans	-161.3	-72.2	162.5	-179.6	0	0	0	0	111.1	A417	S415-A417 PolarHBondContact O-N 3.3Å
416	L	49.4	Very low	59.8	Low	98 Å²	98	107.3 Å²	107.3	51%	0.513	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-40.2	-159.6	-159.8	68.5	0	0	0	115.8	V383 T418 Q441	V383-L416 HydrophobicContact CG2-CD2 3.9Å; L416-T418 PolarHBondContact O-N 2.79Å; L416-Q441 HydrophobicContact CD2-CG 4.02Å
417	A	44.2	Very low	57.3	Low	46 Å²	46	118.3 Å²	118.3	38%	0.38	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.6	9.1	-163.7	0	0	0	0	0	115.8	S415	S415-A417 PolarHBondContact O-N 3.3Å
418	T	39.7	Very low	54.8	Low	119 Å²	119	123.9 Å²	123.9	73%	0.73	61%	0.614	S	S	*	*			trans	-153.1	65.7	176	-34.8	0	0	0	0	113.5	L416 R420	L416-T418 PolarHBondContact O-N 2.79Å; T418-R420 PolarHBondContact O-N 2.95Å
419	S	38.3	Very low	52.6	Low	106 Å²	106	128.7 Å²	128.7	74%	0.741	64%	0.639	S	S	*	*			trans	-60.1	105.6	152.7	-174.8	0	0	0	0	108.1	P421	S419-P421 WeakPolarHBondContact O-CD 3.37Å
420	R	38.1	Very low	50.8	Low	220 Å²	220	130.5 Å²	130.5	83%	0.83	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-59.1	122.5	160.5	-80.9	-175.6	173.8	-178.9	0.6	105.3	T418 K422	T418-R420 PolarHBondContact O-N 2.95Å; R420-K422 PolarHBondContact O-N 2.89Å
421	P	39.9	Very low	49.4	Very low	112 Å²	112	135.7 Å²	135.7	73%	0.727	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-54.6	122.2	179.3	20.9	-31.8	0	0	0	109.1	S419 K423	S419-P421 WeakPolarHBondContact O-CD 3.37Å; P421-K423 PolarHBondContact O-N 3.29Å
422	K	41.4	Very low	48.1	Very low	174 Å²	174	141.8 Å²	141.8	76%	0.757	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-46.8	138.8	163.7	-88.6	-174.3	174.3	-179.5	0	105.7	R420 T424	R420-K422 PolarHBondContact O-N 2.89Å; K422-T424 HydrophobicContact CB-CG2 4.45Å; K422-T424 PolarHBondContact O-N 3.45Å; K422-T424 PolarHBondContact O-OG1 3.49Å
423	K	40.8	Very low	47.4	Very low	216 Å²	216	145.1 Å²	145.1	94%	0.939	73%	0.734	S	S	*	*			trans	-73.5	42.9	-174.7	-88.8	-172.1	172.1	-176.9	0	112.7	P421 K425	P421-K423 PolarHBondContact O-N 3.29Å; K423-K425 PolarHBondContact O-N 2.85Å
424	T	44.3	Very low	47.8	Very low	110 Å²	110	142.3 Å²	142.3	68%	0.675	73%	0.726	S	S	*	*			trans	-87.4	110	-177.3	38.7	0	0	0	0	111.2	K422 K426	K422-T424 HydrophobicContact CB-CG2 4.45Å; K422-T424 PolarHBondContact O-N 3.45Å; K422-T424 PolarHBondContact O-OG1 3.49Å; T424-K426 PolarHBondContact O-N 3.05Å
425	K	45.9	Very low	49	Very low	188 Å²	188	138.5 Å²	138.5	82%	0.817	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	51.7	53.5	148.9	-136.6	165.5	-172.2	170.9	0	117.6	K423 R427	K423-K425 PolarHBondContact O-N 2.85Å; K425-R427 PolarHBondContact O-N 3.38Å
426	K	38.9	Very low	50.5	Low	208 Å²	208	140.3 Å²	140.3	90%	0.904	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	50.5	39.9	143.2	-157.3	-173.3	179.7	-178	0	116.8	T424 S428	T424-K426 PolarHBondContact O-N 3.05Å; K426-S428 PolarHBondContact O-N 3.07Å
427	R	40	Very low	51.8	Low	240 Å²	240	138.5 Å²	138.5	91%	0.906	71%	0.706	S	S	*	*			trans	-66.8	115.5	174	-76.4	-171.6	170.4	-171.1	-2.3	110.9	K425 H429	K425-R427 PolarHBondContact O-N 3.38Å; R427-H429 PolarHBondContact O-N 2.9Å
428	S	40.8	Very low	53.3	Low	116 Å²	116	140.1 Å²	140.1	81%	0.811	71%	0.706	S	S	*	*			trans	-90.1	65	-173.7	58.8	0	0	0	0	113	K426	K426-S428 PolarHBondContact O-N 3.07Å
429	H	45.9	Very low	55.5	Low	167 Å²	167	138.9 Å²	138.9	77%	0.773	70%	0.695	S	S	*	*	S	Bend	trans	-135.8	148.5	167.2	-101.4	-102.7	0	0	0	109.9	R427	R427-H429 PolarHBondContact O-N 2.9Å
430	P	51.9	Low	57.6	Low	103 Å²	103	139.2 Å²	139.2	67%	0.669	68%	0.68	S	S	*	*			trans	-63.8	139.5	171.8	28.5	-34.1	0	0	0	109.9	I432	P430-I432 PolarHBondContact O-N 2.91Å
431	V	60.1	Low	59.5	Low	131 Å²	131	130.4 Å²	130.4	79%	0.794	65%	0.648	S	S	*	*			trans	-69.5	103.9	170.3	179.7	0	0	0	0	107.6	I433	V431-I433 HydrophobicContact CG1-CG1 4.33Å; V431-I433 PolarHBondContact O-N 3.29Å
432	I	61.3	Low	61.5	Low	149 Å²	149	128.3 Å²	128.3	76%	0.764	63%	0.629	S	S	*	*			trans	-75.1	107.3	169.5	-59.1	175.4	0	0	0	106.2	P430 D434	P430-I432 PolarHBondContact O-N 2.91Å; I432-D434 PolarHBondContact O-N 2.74Å
433	I	66.6	Low	63.7	Low	114 Å²	114	125.5 Å²	125.5	59%	0.585	62%	0.618	S	S	*	*			trans	-78.6	113.9	167.5	-58.9	174.3	0	0	0	106.1	V431 L435	V431-I433 HydrophobicContact CG1-CG1 4.33Å; V431-I433 PolarHBondContact O-N 3.29Å; I433-L435 HydrophobicContact CG2-CD2 4.45Å; I433-L435 PolarHBondContact O-N 2.66Å
434	D	72.5	Confident	65.8	Low	91 Å²	91	117 Å²	117	49%	0.487	58%	0.582	S	S	.	*			trans	-74.9	105.1	172	-173.2	-19.6	0	0	0	108.6	I432 D436 E437 E438	I432-D434 PolarHBondContact O-N 2.74Å; D434-D436 VanDerWaalsContact C-N 3.32Å; D434-D436 WeakPolarHBondContact OD1-CB 3.45Å; D434-D436 PolarHBondContact OD1-N 3.44Å; D434-E437 HydrophobicContact CB-CB 4.04Å; D434-E437 PolarHBondContact O-N 3.02Å; D434-E437 PolarHBondContact OD1-N 3.4Å; D434-E438 PolarHBondContact O-N 3.43Å
435	L	79.9	Confident	67.7	Low	117 Å²	117	116.1 Å²	116.1	61%	0.613	57%	0.566	S	S	*	*	H	α-helix	trans	-67.9	-32.9	-179.8	-64.3	175	0	0	0	111.7	I433 E437 E438 D439	I433-L435 HydrophobicContact CG2-CD2 4.45Å; I433-L435 PolarHBondContact O-N 2.66Å; L435-E437 VanDerWaalsContact C-N 3.29Å; L435-E437 PolarHBondContact O-N 2.95Å; L435-E438 PolarHBondContact O-N 3.4Å; L435-D439 WeakPolarHBondContact O-CB 3.48Å; L435-D439 PolarHBondContact O-N 3.45Å
436	D	80.2	Confident	69.6	Low	121 Å²	121	113.9 Å²	113.9	65%	0.647	55%	0.552	S	S	*	*	H	α-helix	trans	-69.8	-31.5	179.9	-64.1	-21.3	0	0	0	110.5	D434 R440	D434-D436 VanDerWaalsContact C-N 3.32Å; D434-D436 WeakPolarHBondContact OD1-CB 3.45Å; D434-D436 PolarHBondContact OD1-N 3.44Å; D436-R440 WeakPolarHBondContact O-CB 3.46Å; D436-R440 PolarHBondContact O-N 3.03Å; D436-R440 VanDerWaalsContact O-N 3.16Å
437	E	77.2	Confident	72	Confident	61 Å²	61	108.4 Å²	108.4	29%	0.285	53%	0.53	S	S	.	.	H	α-helix	trans	-79.3	-37.8	172.1	-179.7	57.2	-155.3	0	0	112.8	D434 L435 R440 Q441	D434-E437 HydrophobicContact CB-CB 4.04Å; D434-E437 PolarHBondContact O-N 3.02Å; D434-E437 PolarHBondContact OD1-N 3.4Å; L435-E437 VanDerWaalsContact C-N 3.29Å; L435-E437 PolarHBondContact O-N 2.95Å; E437-R440 PolarHBondContact O-N 2.8Å; E437-R440 WeakPolarHBondContact OE2-CD 3.46Å; E437-R440 IonicContact OE2-CZ 3.52Å; E437-R440 IonicContact OE2-NE 3.84Å; E437-R440 IonicContact OE2-NH1 2.66Å; E437-R440 PolarHBondContact OE2-NH1 2.97Å; E437-Q441 WeakPolarHBondContact O-CB 3.41Å; E437-Q441 VanDerWaalsContact O-CG 3.27Å; E437-Q441 WeakPolarHBondContact O-CG 3.15Å; E437-Q441 PolarHBondContact O-N 3.29Å; E437-Q441 WeakPolarHBondContact OE1-CG 3.48Å; E437-Q441 PolarHBondContact OE1-NE2 3.45Å
438	E	76.7	Confident	74.5	Confident	80 Å²	80	97.1 Å²	97.1	37%	0.374	49%	0.487	S	S	.	.	H	α-helix	trans	-65.1	-41.5	174.2	-176.2	170.7	-171.6	0	0	112	D434 L435 Q441 Q442	D434-E438 PolarHBondContact O-N 3.43Å; L435-E438 PolarHBondContact O-N 3.4Å; E438-Q441 PolarHBondContact O-N 3.08Å; E438-Q442 WeakPolarHBondContact O-CB 3.36Å; E438-Q442 PolarHBondContact O-N 3Å
439	D	84.3	Confident	76.8	Confident	93 Å²	93	93.9 Å²	93.9	50%	0.497	46%	0.459	S	S	.	.	H	α-helix	trans	-65.9	-43.8	175.3	-89.6	-22.8	0	0	0	111.1	L435 Q441 Q442 E443	L435-D439 WeakPolarHBondContact O-CB 3.48Å; L435-D439 PolarHBondContact O-N 3.45Å; D439-Q441 VanDerWaalsContact C-N 3.33Å; D439-Q441 PolarHBondContact O-N 2.76Å; D439-Q442 CarbonylContact O-C 3.47Å; D439-Q442 WeakPolarHBondContact O-CA 3.49Å; D439-Q442 VanDerWaalsContact O-CB 3.3Å; D439-Q442 WeakPolarHBondContact O-CB 3.31Å; D439-Q442 PolarHBondContact O-N 3.2Å; D439-E443 WeakPolarHBondContact O-CG 3.28Å; D439-E443 PolarHBondContact O-N 2.83Å
440	R	82.6	Confident	78.9	Confident	113 Å²	113	92.8 Å²	92.8	43%	0.426	45%	0.452	S	S	.	.	H	α-helix	trans	-57.4	-43.2	172.7	-175.6	-173.6	-57	141.1	5.7	112.3	D436 E437 Q442 E443 F444	D436-R440 WeakPolarHBondContact O-CB 3.46Å; D436-R440 PolarHBondContact O-N 3.03Å; D436-R440 VanDerWaalsContact O-N 3.16Å; E437-R440 PolarHBondContact O-N 2.8Å; E437-R440 WeakPolarHBondContact OE2-CD 3.46Å; E437-R440 IonicContact OE2-CZ 3.52Å; E437-R440 IonicContact OE2-NE 3.84Å; E437-R440 IonicContact OE2-NH1 2.66Å; E437-R440 PolarHBondContact OE2-NH1 2.97Å; R440-Q442 VanDerWaalsContact C-N 3.26Å; R440-Q442 PolarHBondContact O-N 3.43Å; R440-E443 PolarHBondContact O-N 3.43Å; R440-F444 HydrophobicContact CG-CD2 4.22Å; R440-F444 HydrophobicContact CG-CE2 3.64Å; R440-F444 HydrophobicContact CG-CZ 4.02Å; R440-F444 WeakPolarHBondContact O-CD2 3.38Å; R440-F444 PolarHBondContact O-N 3.1Å
441	Q	77.9	Confident	80.8	Confident	35 Å²	35	88.5 Å²	88.5	16%	0.164	43%	0.425	C	S	.	.	H	α-helix	trans	-66.8	-26.7	172.5	-72.2	177.9	22.8	0	0	112.6	L416 E437 E438 D439 R445	L416-Q441 HydrophobicContact CD2-CG 4.02Å; E437-Q441 WeakPolarHBondContact O-CB 3.41Å; E437-Q441 VanDerWaalsContact O-CG 3.27Å; E437-Q441 WeakPolarHBondContact O-CG 3.15Å; E437-Q441 PolarHBondContact O-N 3.29Å; E437-Q441 WeakPolarHBondContact OE1-CG 3.48Å; E437-Q441 PolarHBondContact OE1-NE2 3.45Å; E438-Q441 PolarHBondContact O-N 3.08Å; D439-Q441 VanDerWaalsContact C-N 3.33Å; D439-Q441 PolarHBondContact O-N 2.76Å; Q441-R445 WeakPolarHBondContact O-CB 3.46Å; Q441-R445 VanDerWaalsContact O-CG 3.25Å; Q441-R445 WeakPolarHBondContact O-CG 3.32Å; Q441-R445 PolarHBondContact O-N 3.16Å; Q441-R445 PolarHBondContact O-NE 3.5Å
442	Q	82.9	Confident	82.3	Confident	68 Å²	68	82.2 Å²	82.2	32%	0.318	39%	0.387	S	S	.	.	H	α-helix	trans	-75.2	-36.1	172.3	-153	-177.6	126.2	0	0	112.1	E438 D439 R440 R445 R446	E438-Q442 WeakPolarHBondContact O-CB 3.36Å; E438-Q442 PolarHBondContact O-N 3Å; D439-Q442 CarbonylContact O-C 3.47Å; D439-Q442 WeakPolarHBondContact O-CA 3.49Å; D439-Q442 VanDerWaalsContact O-CB 3.3Å; D439-Q442 WeakPolarHBondContact O-CB 3.31Å; D439-Q442 PolarHBondContact O-N 3.2Å; R440-Q442 VanDerWaalsContact C-N 3.26Å; R440-Q442 PolarHBondContact O-N 3.43Å; Q442-R445 PolarHBondContact O-N 3.27Å; Q442-R446 VanDerWaalsContact O-CG 3.3Å; Q442-R446 WeakPolarHBondContact O-CG 3.43Å; Q442-R446 PolarHBondContact O-N 2.81Å; Q442-R446 VanDerWaalsContact O-N 3.08Å
443	E	86.6	Confident	83.7	Confident	115 Å²	115	75.3 Å²	75.3	54%	0.537	35%	0.352	S	S	.	.	H	α-helix	trans	-63.5	-53.7	173.1	-68.8	-171.8	144.7	0	0	111.3	D439 R440 R445 R446 E447	D439-E443 WeakPolarHBondContact O-CG 3.28Å; D439-E443 PolarHBondContact O-N 2.83Å; R440-E443 PolarHBondContact O-N 3.43Å; E443-R445 VanDerWaalsContact C-N 3.26Å; E443-R445 PolarHBondContact O-N 3.41Å; E443-R446 WeakPolarHBondContact O-CA 3.38Å; E443-R446 WeakPolarHBondContact O-CB 3.5Å; E443-R446 PolarHBondContact O-N 3.04Å; E443-E447 PolarHBondContact O-N 2.65Å
444	F	86.4	Confident	84.6	Confident	38 Å²	38	75.3 Å²	75.3	17%	0.167	35%	0.345	C	S	.	.	H	α-helix	trans	-55	-40.7	175.4	-65.5	-40.3	0	0	0	112.3	V383 A384 A387 R440 R446 E447 F448	V383-F444 HydrophobicContact CB-CD2 4.38Å; V383-F444 HydrophobicContact CG1-CB 3.98Å; V383-F444 HydrophobicContact CG1-CD2 3.74Å; V383-F444 HydrophobicContact CG1-CG 4.13Å; A384-F444 HydrophobicContact CB-CE2 3.95Å; A384-F444 HydrophobicContact CB-CZ 3.66Å; A387-F444 HydrophobicContact CB-CB 4.42Å; A387-F444 HydrophobicContact CB-CD1 3.36Å; A387-F444 HydrophobicContact CB-CE1 3.73Å; A387-F444 HydrophobicContact CB-CG 4.01Å; R440-F444 HydrophobicContact CG-CD2 4.22Å; R440-F444 HydrophobicContact CG-CE2 3.64Å; R440-F444 HydrophobicContact CG-CZ 4.02Å; R440-F444 WeakPolarHBondContact O-CD2 3.38Å; R440-F444 PolarHBondContact O-N 3.1Å; F444-R446 VanDerWaalsContact C-N 3.34Å; F444-R446 PolarHBondContact O-N 3.48Å; F444-E447 WeakPolarHBondContact O-CB 3.41Å; F444-E447 PolarHBondContact O-N 2.85Å; F444-E447 VanDerWaalsContact O-N 3.17Å; F444-F448 HydrophobicContact CB-CD2 4.44Å; F444-F448 HydrophobicContact CB-CE2 3.99Å; F444-F448 WeakPolarHBondContact O-CD2 3.49Å; F444-F448 WeakPolarHBondContact O-CG 3.47Å; F444-F448 PolarHBondContact O-N 2.81Å
445	R	83.2	Confident	85.1	Confident	91 Å²	91	75.5 Å²	75.5	34%	0.343	35%	0.351	S	S	.	.	H	α-helix	trans	-61.4	-37.5	174.4	-80.3	177.8	-70	166.7	-4.7	113.2	Q441 Q442 E443 E449	Q441-R445 WeakPolarHBondContact O-CB 3.46Å; Q441-R445 VanDerWaalsContact O-CG 3.25Å; Q441-R445 WeakPolarHBondContact O-CG 3.32Å; Q441-R445 PolarHBondContact O-N 3.16Å; Q441-R445 PolarHBondContact O-NE 3.5Å; Q442-R445 PolarHBondContact O-N 3.27Å; E443-R445 VanDerWaalsContact C-N 3.26Å; E443-R445 PolarHBondContact O-N 3.41Å; R445-E449 PolarHBondContact O-N 3.11Å
446	R	86.7	Confident	85.5	Confident	140 Å²	140	70.6 Å²	70.6	53%	0.528	33%	0.329	S	S	.	.	H	α-helix	trans	-68.3	-36.4	174.3	-66.8	164.5	-171.4	166.4	3	111.1	Q442 E443 F444 K450	Q442-R446 VanDerWaalsContact O-CG 3.3Å; Q442-R446 WeakPolarHBondContact O-CG 3.43Å; Q442-R446 PolarHBondContact O-N 2.81Å; Q442-R446 VanDerWaalsContact O-N 3.08Å; E443-R446 WeakPolarHBondContact O-CA 3.38Å; E443-R446 WeakPolarHBondContact O-CB 3.5Å; E443-R446 PolarHBondContact O-N 3.04Å; F444-R446 VanDerWaalsContact C-N 3.34Å; F444-R446 PolarHBondContact O-N 3.48Å; R446-K450 WeakPolarHBondContact O-CB 3.29Å; R446-K450 PolarHBondContact O-N 3.17Å
447	E	88.7	Confident	86.2	Confident	94 Å²	94	65 Å²	65	44%	0.439	30%	0.299	S	S	.	.	H	α-helix	trans	-66.1	-46.2	174.8	-65.1	-173.4	141.2	0	0	112	E443 F444 K450 A451	E443-E447 PolarHBondContact O-N 2.65Å; F444-E447 WeakPolarHBondContact O-CB 3.41Å; F444-E447 PolarHBondContact O-N 2.85Å; F444-E447 VanDerWaalsContact O-N 3.17Å; E447-K450 PolarHBondContact O-N 2.94Å; E447-A451 VanDerWaalsContact O-CB 3.31Å; E447-A451 WeakPolarHBondContact O-CB 3.31Å; E447-A451 PolarHBondContact O-N 2.81Å
448	F	91.7	Very high	87.1	Confident	3 Å²	3	64.9 Å²	64.9	1%	0.013	30%	0.3	C	S	.	.	H	α-helix	trans	-62.9	-45.7	174.6	-64.3	-59	0	0	0	112.4	V383 R386 A387 T390 L410 F444 K450 A451 L452	V383-F448 HydrophobicContact CG1-CE2 3.9Å; V383-F448 HydrophobicContact CG1-CZ 4.4Å; R386-F448 HydrophobicContact CB-CE1 4.26Å; R386-F448 HydrophobicContact CB-CZ 3.93Å; A387-F448 HydrophobicContact CB-CE1 4.39Å; A387-F448 HydrophobicContact CB-CE2 4.41Å; A387-F448 HydrophobicContact CB-CZ 3.83Å; T390-F448 HydrophobicContact CG2-CD1 4.26Å; L410-F448 HydrophobicContact CB-CD1 4.32Å; L410-F448 HydrophobicContact CB-CG 4.24Å; L410-F448 HydrophobicContact CD1-CD1 4.14Å; L410-F448 HydrophobicContact CD1-CE1 3.96Å; L410-F448 HydrophobicContact CD1-CZ 4.47Å; L410-F448 HydrophobicContact CD2-CD1 4.3Å; L410-F448 HydrophobicContact CD2-CD2 4.06Å; L410-F448 HydrophobicContact CD2-CE1 3.97Å; L410-F448 HydrophobicContact CD2-CE2 3.74Å; L410-F448 HydrophobicContact CD2-CG 4.36Å; L410-F448 HydrophobicContact CD2-CZ 3.69Å; L410-F448 HydrophobicContact CG-CD1 4.49Å; L410-F448 HydrophobicContact CG-CE1 4.45Å; F444-F448 HydrophobicContact CB-CD2 4.44Å; F444-F448 HydrophobicContact CB-CE2 3.99Å; F444-F448 WeakPolarHBondContact O-CD2 3.49Å; F444-F448 WeakPolarHBondContact O-CG 3.47Å; F444-F448 PolarHBondContact O-N 2.81Å; F448-K450 VanDerWaalsContact C-N 3.26Å; F448-K450 PolarHBondContact O-N 3.11Å; F448-A451 PolarHBondContact O-N 3.37Å; F448-L452 HydrophobicContact CB-CD1 4.45Å; F448-L452 HydrophobicContact CD1-CD1 4.36Å; F448-L452 VanDerWaalsContact O-CB 3.31Å; F448-L452 WeakPolarHBondContact O-CB 3.41Å; F448-L452 PolarHBondContact O-N 3.28Å
449	E	89.1	Confident	88	Confident	48 Å²	48	61.1 Å²	61.1	22%	0.224	28%	0.283	C	S	.	.	I	π-helix	trans	-61.4	-36.9	176.1	-175.9	168.1	-173.1	0	0	111.3	K413 R445 C453 R454	K413-E449 WeakPolarHBondContact CE-OE2 3.41Å; K413-E449 IonicContact NZ-OE1 3.88Å; K413-E449 PolarHBondContact NZ-OE1 3.23Å; K413-E449 IonicContact NZ-OE2 2.59Å; K413-E449 PolarHBondContact NZ-OE2 2.66Å; R445-E449 PolarHBondContact O-N 3.11Å; E449-C453 HydrophobicContact CG-CB 4.34Å; E449-C453 CarbonylContact O-C 3.56Å; E449-C453 WeakPolarHBondContact O-CA 3.49Å; E449-C453 WeakPolarHBondContact O-CB 3.43Å; E449-C453 PolarHBondContact O-N 2.75Å; E449-C453 VanDerWaalsContact O-N 3.09Å; E449-R454 PolarHBondContact O-N 2.83Å; E449-R454 IonicContact OE1-CZ 2.64Å; E449-R454 IonicContact OE1-NH1 3.53Å; E449-R454 PolarHBondContact OE1-NH1 3.46Å
450	K	90	Very high	88.7	Confident	144 Å²	144	56.7 Å²	56.7	63%	0.626	26%	0.259	S	S	*	.	I	π-helix	trans	-67	-48.1	176.9	-175.9	-176.8	175.7	-169.5	0	112.8	R446 E447 F448 R454 P455 G456	R446-K450 WeakPolarHBondContact O-CB 3.29Å; R446-K450 PolarHBondContact O-N 3.17Å; E447-K450 PolarHBondContact O-N 2.94Å; F448-K450 VanDerWaalsContact C-N 3.26Å; F448-K450 PolarHBondContact O-N 3.11Å; K450-R454 WeakPolarHBondContact CA-O 3.27Å; K450-R454 CarbonylContact O-C 3.44Å; K450-P455 WeakPolarHBondContact O-CD 3.23Å; K450-G456 PolarHBondContact O-N 2.92Å
451	A	92.3	Very high	89.4	Confident	12 Å²	12	51.4 Å²	51.4	10%	0.099	24%	0.239	C	C	.	.	I	π-helix	trans	-74.1	-41.4	-175.9	0	0	0	0	0	113.3	T390 V394 E447 F448 G456	T390-A451 HydrophobicContact CG2-CB 3.49Å; T390-A451 VanDerWaalsContact CG2-CB 3.49Å; V394-A451 HydrophobicContact CG2-CB 3.64Å; E447-A451 VanDerWaalsContact O-CB 3.31Å; E447-A451 WeakPolarHBondContact O-CB 3.31Å; E447-A451 PolarHBondContact O-N 2.81Å; F448-A451 PolarHBondContact O-N 3.37Å; A451-G456 CarbonylContact O-C 3.43Å; A451-G456 WeakPolarHBondContact O-CA 3.49Å
452	L	92.5	Very high	90.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.231	C	C	.	.	I	π-helix	trans	-100.1	-23	-170	-57.3	177.7	0	0	0	113.5	L332 W393 L400 M402 Y407 L410 T411 F448	L332-L452 HydrophobicContact CD1-CD2 4.13Å; L332-L452 HydrophobicContact CD2-CD2 4.14Å; W393-L452 HydrophobicContact CZ3-CD2 4.07Å; L400-L452 HydrophobicContact CD2-CD2 4.21Å; M402-L452 HydrophobicContact CE-CD1 4.39Å; M402-L452 HydrophobicContact SD-CD2 4.35Å; Y407-L452 HydrophobicContact CE2-CB 4.1Å; L410-L452 HydrophobicContact CB-CD1 4.25Å; T411-L452 HydrophobicContact CG2-CB 4.03Å; T411-L452 HydrophobicContact CG2-CD1 4.02Å; F448-L452 HydrophobicContact CB-CD1 4.45Å; F448-L452 HydrophobicContact CD1-CD1 4.36Å; F448-L452 VanDerWaalsContact O-CB 3.31Å; F448-L452 WeakPolarHBondContact O-CB 3.41Å; F448-L452 PolarHBondContact O-N 3.28Å
453	C	88.9	Confident	90.9	Very high	4 Å²	4	47 Å²	47	3%	0.027	22%	0.219	C	C	.	.	I	π-helix	trans	-125.7	-47.1	-173.4	-54.6	0	0	0	0	115.8	Y407 T411 E449 P455 R483	Y407-C453 PolarHBondContact OH-SG 2.87Å; T411-C453 VanDerWaalsContact CG2-SG 3.57Å; E449-C453 HydrophobicContact CG-CB 4.34Å; E449-C453 CarbonylContact O-C 3.56Å; E449-C453 WeakPolarHBondContact O-CA 3.49Å; E449-C453 WeakPolarHBondContact O-CB 3.43Å; E449-C453 PolarHBondContact O-N 2.75Å; E449-C453 VanDerWaalsContact O-N 3.09Å; C453-P455 CarbonylContact O-C 3.57Å; C453-R483 WeakPolarHBondContact O-CB 3.47Å; C453-R483 PolarHBondContact O-N 2.75Å
454	R	86.2	Confident	91.1	Very high	113 Å²	113	42.9 Å²	42.9	43%	0.426	20%	0.2	S	C	.	.	S	Bend	trans	-147.6	93.9	-165.5	-64.8	179.9	-177.2	129.1	5	112.6	E449 K450 G456 N481 R483	E449-R454 PolarHBondContact O-N 2.83Å; E449-R454 IonicContact OE1-CZ 2.64Å; E449-R454 IonicContact OE1-NH1 3.53Å; E449-R454 PolarHBondContact OE1-NH1 3.46Å; K450-R454 WeakPolarHBondContact CA-O 3.27Å; K450-R454 CarbonylContact O-C 3.44Å; R454-G456 VanDerWaalsContact N-N 3.15Å; R454-N481 PolarHBondContact NH2-OD1 3.08Å; R454-R483 HydrophobicContact CG-CB 4.44Å
455	P	83.2	Confident	91.3	Very high	96 Å²	96	41 Å²	41	62%	0.623	19%	0.192	S	C	*	.	S	Bend	cis	-68	-28.7	10.5	26.7	-35.7	0	0	0	114.1	K450 C453	K450-P455 WeakPolarHBondContact O-CD 3.23Å; C453-P455 CarbonylContact O-C 3.57Å
456	G	88.8	Confident	91.6	Very high	13 Å²	13	38 Å²	38	13%	0.134	18%	0.181	C	C	.	.			trans	79.5	-176.1	-169.5	0	0	0	0	0	112.4	K450 A451 R454	K450-G456 PolarHBondContact O-N 2.92Å; A451-G456 CarbonylContact O-C 3.43Å; A451-G456 WeakPolarHBondContact O-CA 3.49Å; R454-G456 VanDerWaalsContact N-N 3.15Å
457	P	94.8	Very high	91.6	Very high	4 Å²	4	37.2 Å²	37.2	3%	0.026	18%	0.178	C	C	.	.			trans	-70.9	162.4	178.7	29.8	-37.5	0	0	0	113.2	T330 L332 W393 V459 V460 S484	T330-P457 WeakPolarHBondContact OG1-CA 3.27Å; L332-P457 HydrophobicContact CB-CB 3.95Å; L332-P457 HydrophobicContact CB-CG 3.66Å; L332-P457 HydrophobicContact CD2-CG 4.12Å; W393-P457 HydrophobicContact CH2-CB 3.99Å; W393-P457 HydrophobicContact CZ2-CB 4.26Å; P457-V459 VanDerWaalsContact C-N 3.35Å; P457-V460 HydrophobicContact CG-CG2 3.52Å; P457-S484 VanDerWaalsContact O-CB 3.24Å; P457-S484 WeakPolarHBondContact O-CB 3.49Å; P457-S484 PolarHBondContact O-OG 2.91Å
458	D	95.1	Very high	91.7	Very high	58 Å²	58	33 Å²	33	31%	0.31	16%	0.159	S	C	.	.	S	Bend	trans	-66	-37.3	173.5	-58.9	-72.9	0	0	0	112.2	A328 K329 T330	A328-D458 HydrophobicContact CB-CB 4.18Å; K329-D458 PolarHBondContact N-OD2 3.26Å; T330-D458 PolarHBondContact N-OD2 2.64Å; T330-D458 WeakPolarHBondContact O-CB 3.43Å; T330-D458 PolarHBondContact O-N 2.75Å; T330-D458 PolarHBondContact OG1-N 3.13Å; T330-D458 PolarHBondContact OG1-OD2 3.39Å
459	V	96.8	Very high	91.6	Very high	1 Å²	1	35 Å²	35	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	138.9	177.7	-178	0	0	0	0	110.7	L286 L322 T330 V331 L332 P457 I461 R486	L286-V459 HydrophobicContact CD2-CG1 3.6Å; L286-V459 HydrophobicContact CD2-CG2 4.25Å; L322-V459 HydrophobicContact CD2-CG2 3.76Å; T330-V459 PolarHBondContact O-N 2.88Å; V331-V459 WeakPolarHBondContact CA-O 3.27Å; V331-V459 HydrophobicContact CG2-CB 4.32Å; L332-V459 PolarHBondContact N-O 2.98Å; P457-V459 VanDerWaalsContact C-N 3.35Å; V459-I461 HydrophobicContact CG1-CG1 4.4Å; V459-R486 WeakPolarHBondContact CA-O 3.47Å; V459-R486 HydrophobicContact CB-CB 4.42Å; V459-R486 HydrophobicContact CG1-CB 4.41Å; V459-R486 HydrophobicContact CG2-CB 3.99Å
460	V	97.4	Very high	91.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	138.4	169.8	-179.5	0	0	0	0	110.1	L332 I334 P457 I482 R486 R487 V488	L332-V460 CarbonylContact O-C 3.59Å; L332-V460 WeakPolarHBondContact O-CA 3.4Å; I334-V460 HydrophobicContact CD1-CG1 4.37Å; P457-V460 HydrophobicContact CG-CG2 3.52Å; V460-I482 HydrophobicContact CG1-CD1 4.24Å; V460-I482 HydrophobicContact CG2-CD1 4.22Å; V460-I482 HydrophobicContact CG2-CG2 3.97Å; V460-R486 PolarHBondContact N-O 3.09Å; V460-R487 HydrophobicContact CB-CG 4.48Å; V460-R487 CarbonylContact O-C 3.57Å; V460-R487 WeakPolarHBondContact O-CA 3.48Å; V460-V488 PolarHBondContact O-N 3.38Å
461	I	97.9	Very high	91.4	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	131.9	172.9	-60.4	155.3	0	0	0	107.5	V315 I319 V331 L332 A333 I334 V459 V488 L490	V315-I461 HydrophobicContact CG1-CD1 3.64Å; V315-I461 HydrophobicContact CG1-CG1 4.39Å; V315-I461 HydrophobicContact CG1-CG2 4.34Å; I319-I461 HydrophobicContact CD1-CD1 3.73Å; I319-I461 HydrophobicContact CG1-CD1 4.31Å; V331-I461 HydrophobicContact CG1-CD1 3.52Å; V331-I461 HydrophobicContact CG1-CG1 4.45Å; L332-I461 PolarHBondContact O-N 2.67Å; A333-I461 WeakPolarHBondContact CA-O 3.49Å; A333-I461 HydrophobicContact CB-CB 4.31Å; I334-I461 PolarHBondContact N-O 2.79Å; V459-I461 HydrophobicContact CG1-CG1 4.4Å; I461-V488 CarbonylContact C-O 3.52Å; I461-V488 WeakPolarHBondContact CA-O 3.47Å; I461-V488 HydrophobicContact CG1-CB 4.14Å; I461-V488 HydrophobicContact CG1-CG2 4.28Å; I461-L490 HydrophobicContact CG2-CD1 3.9Å; I461-L490 HydrophobicContact CG2-CG 4.2Å
462	C	97.2	Very high	91.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	106.2	176.6	-71.2	0	0	0	0	108.8	I334 I468 V488 V489 L490 F508	I334-C462 WeakPolarHBondContact O-CA 3.38Å; C462-I468 HydrophobicContact CB-CD1 4.36Å; C462-V488 PolarHBondContact N-O 3.39Å; C462-V489 HydrophobicContact CB-CG2 4.25Å; C462-L490 PolarHBondContact O-N 2.86Å; C462-F508 HydrophobicContact CB-CE1 4.33Å
463	D	95.4	Very high	91	Very high	12 Å²	12	33.3 Å²	33.3	6%	0.064	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	141.9	178.2	-169.7	31.5	0	0	0	112.1	I334 V335 W343 Y404 G465 L490	I334-D463 PolarHBondContact O-N 2.73Å; V335-D463 HydrophobicContact CB-CB 4.11Å; V335-D463 HydrophobicContact CG1-CB 3.75Å; W343-D463 HydrophobicContact CZ2-CB 3.9Å; W343-D463 PolarHBondContact NE1-OD2 3.4Å; Y404-D463 VanDerWaalsContact CE2-O 3.29Å; Y404-D463 WeakPolarHBondContact CE2-O 3.31Å; Y404-D463 PolarHBondContact OH-O 2.67Å; D463-G465 PolarHBondContact O-N 3.25Å; D463-L490 HydrophobicContact CB-CD1 4.17Å
464	E	91.2	Very high	91.1	Very high	27 Å²	27	35.2 Å²	35.2	13%	0.126	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.6	47.8	-165.1	-63.1	-60.7	-179.1	0	0	113.2	M307 P336 H466 R467 L490	M307-E464 WeakPolarHBondContact CE-OE1 3.32Å; P336-E464 HydrophobicContact CG-CB 4.08Å; P336-E464 HydrophobicContact CG-CG 4.38Å; E464-H466 PolarHBondContact O-N 3Å; E464-H466 IonicContact OE2-CE1 2.86Å; E464-H466 PolarHBondContact OE2-CE1 2.99Å; E464-H466 IonicContact OE2-ND1 2.96Å; E464-H466 PolarHBondContact OE2-ND1 3.27Å; E464-R467 PolarHBondContact O-N 3.25Å; E464-L490 CarbonylContact C-O 3.55Å; E464-L490 WeakPolarHBondContact CA-O 3.28Å; E464-L490 PolarHBondContact N-O 3.07Å; E464-L490 VanDerWaalsContact N-O 3.08Å
465	G	90.7	Very high	91.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-64.6	6.2	-179.3	0	0	0	0	0	115.7	D463 R467 I468 L490	D463-G465 PolarHBondContact O-N 3.25Å; G465-R467 PolarHBondContact O-N 2.95Å; G465-I468 WeakPolarHBondContact O-CB 3.3Å; G465-I468 WeakPolarHBondContact O-CG1 3.4Å; G465-I468 PolarHBondContact O-N 3.26Å; G465-L490 PolarHBondContact N-O 3.33Å
466	H	88.2	Confident	91.6	Very high	26 Å²	26	27 Å²	27	12%	0.12	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-60.8	-16.3	158.3	67.3	-107.1	0	0	0	112.7	E464 I468 Y493 Q496 M505	E464-H466 PolarHBondContact O-N 3Å; E464-H466 IonicContact OE2-CE1 2.86Å; E464-H466 PolarHBondContact OE2-CE1 2.99Å; E464-H466 IonicContact OE2-ND1 2.96Å; E464-H466 PolarHBondContact OE2-ND1 3.27Å; H466-I468 PolarHBondContact O-N 3.31Å; H466-Y493 WeakPolarHBondContact CB-O 2.95Å; H466-Q496 PolarHBondContact CD2-NE2 3.41Å; H466-M505 HydrophobicContact CB-CE 4.23Å
467	R	87.8	Confident	91.6	Very high	124 Å²	124	30.4 Å²	30.4	47%	0.468	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-58.4	-22	164.3	-73.3	178	170.4	-102.9	-6.9	113.8	Y404 E464 G465 K469	Y404-R467 HydrophobicContact CE1-CB 4.4Å; E464-R467 PolarHBondContact O-N 3.25Å; G465-R467 PolarHBondContact O-N 2.95Å; R467-K469 PolarHBondContact O-N 3Å
468	I	90.4	Very high	91.5	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.026	15%	0.15	C	C	.	.			trans	-85.4	51.1	178	-43.7	176.9	0	0	0	109.9	C462 G465 H466 L479 V489 C504 F508	C462-I468 HydrophobicContact CB-CD1 4.36Å; G465-I468 WeakPolarHBondContact O-CB 3.3Å; G465-I468 WeakPolarHBondContact O-CG1 3.4Å; G465-I468 PolarHBondContact O-N 3.26Å; H466-I468 PolarHBondContact O-N 3.31Å; I468-L479 HydrophobicContact CD1-CD1 3.91Å; I468-L479 HydrophobicContact CG1-CD1 3.93Å; I468-V489 HydrophobicContact CD1-CG2 4.44Å; I468-C504 WeakPolarHBondContact O-CB 3.34Å; I468-F508 HydrophobicContact CD1-CB 4.48Å; I468-F508 HydrophobicContact CD1-CD1 3.54Å; I468-F508 HydrophobicContact CD1-CE1 3.85Å; I468-F508 HydrophobicContact CD1-CG 3.94Å; I468-F508 HydrophobicContact CD1-CZ 4.49Å; I468-F508 HydrophobicContact CG2-CB 4.26Å
469	K	88.9	Confident	91.4	Very high	45 Å²	45	27.5 Å²	27.5	20%	0.196	14%	0.135	C	C	.	.			trans	-81.9	-37.1	-172.6	55.2	159.4	-177	164.3	0	114.7	E36 R467 E501	E36-K469 WeakPolarHBondContact OE2-CE 3.44Å; E36-K469 IonicContact OE2-NZ 2.76Å; E36-K469 PolarHBondContact OE2-NZ 2.99Å; R467-K469 PolarHBondContact O-N 3Å; K469-E501 HydrophobicContact CB-CB 4.33Å; K469-E501 HydrophobicContact CB-CG 4.1Å; K469-E501 WeakPolarHBondContact O-CA 3.42Å
470	N	89.3	Confident	91	Very high	14 Å²	14	31.5 Å²	31.5	8%	0.075	15%	0.153	C	C	.	.			trans	-121.7	130.6	-177	-171.8	-31.4	0	0	0	109.1	E36 D40 Q472 A473 S476	E36-N470 PolarHBondContact O-ND2 3.49Å; D40-N470 PolarHBondContact OD2-ND2 3.13Å; D40-N470 PolarHBondContact OD2-OD1 3.01Å; N470-Q472 VanDerWaalsContact C-N 3.28Å; N470-Q472 PolarHBondContact O-N 3.24Å; N470-Q472 WeakPolarHBondContact OD1-CB 3.5Å; N470-Q472 PolarHBondContact OD1-N 3.17Å; N470-A473 HydrophobicContact CB-CB 4.22Å; N470-A473 PolarHBondContact O-N 3.44Å; N470-S476 WeakPolarHBondContact O-CB 3.22Å; N470-S476 PolarHBondContact O-OG 3.48Å
471	C	86.9	Confident	90.6	Very high	18 Å²	18	34.4 Å²	34.4	12%	0.122	17%	0.168	C	C	.	.	S	Bend	trans	-72	-19.1	179.6	60.5	0	0	0	0	114.1	W503 C504	C471-W503 HydrophobicContact CB-CZ3 4.31Å; C471-C504 PolarHBondContact N-SG 3.08Å
472	Q	87.1	Confident	90.4	Very high	122 Å²	122	34.5 Å²	34.5	57%	0.57	17%	0.169	S	C	*	.	S	Bend	trans	-88.6	-18.4	176.4	-57.6	-64	8.6	0	0	113.7	N470 S474 Q477	N470-Q472 VanDerWaalsContact C-N 3.28Å; N470-Q472 PolarHBondContact O-N 3.24Å; N470-Q472 WeakPolarHBondContact OD1-CB 3.5Å; N470-Q472 PolarHBondContact OD1-N 3.17Å; Q472-S474 PolarHBondContact O-N 3.13Å; Q472-Q477 PolarHBondContact O-NE2 3.34Å
473	A	89.7	Confident	90.1	Very high	15 Å²	15	43.1 Å²	43.1	12%	0.124	20%	0.201	C	C	.	.	S	Bend	trans	-57	134.4	176.4	0	0	0	0	0	110.4	N470 T475 S476 Q477	N470-A473 HydrophobicContact CB-CB 4.22Å; N470-A473 PolarHBondContact O-N 3.44Å; A473-T475 PolarHBondContact O-N 3.19Å; A473-T475 VanDerWaalsContact O-N 3.13Å; A473-S476 WeakPolarHBondContact O-CA 3.26Å; A473-S476 WeakPolarHBondContact O-CB 3.42Å; A473-S476 PolarHBondContact O-N 3.23Å; A473-Q477 PolarHBondContact O-N 3.29Å
474	S	89.2	Confident	90	Very high	44 Å²	44	43.1 Å²	43.1	31%	0.308	20%	0.202	S	C	.	.	H	α-helix	trans	-60.4	-31.1	-171	62.7	0	0	0	0	113.1	R408 Q472 Q477 A478	R408-S474 WeakPolarHBondContact CD-OG 3.42Å; R408-S474 PolarHBondContact NH1-OG 2.7Å; R408-S474 VanDerWaalsContact NH1-OG 3.09Å; Q472-S474 PolarHBondContact O-N 3.13Å; S474-Q477 PolarHBondContact O-N 3.17Å; S474-A478 WeakPolarHBondContact O-CB 3.47Å; S474-A478 PolarHBondContact O-N 2.95Å
475	T	90.1	Very high	90.1	Very high	36 Å²	36	46 Å²	46	22%	0.221	21%	0.212	C	C	.	.	H	α-helix	trans	-62.7	-44.3	170.2	-50.1	0	0	0	0	112.6	Y404 R408 A473 A478 L479	Y404-T475 HydrophobicContact CD1-CG2 3.83Å; R408-T475 WeakPolarHBondContact CD-OG1 3.38Å; A473-T475 PolarHBondContact O-N 3.19Å; A473-T475 VanDerWaalsContact O-N 3.13Å; T475-A478 WeakPolarHBondContact O-CB 3.32Å; T475-A478 PolarHBondContact O-N 2.79Å; T475-L479 HydrophobicContact CG2-CD1 4.28Å; T475-L479 VanDerWaalsContact O-CG 3.29Å; T475-L479 WeakPolarHBondContact O-CG 3.41Å; T475-L479 PolarHBondContact O-N 3.42Å
476	S	89.9	Confident	90.4	Very high	2 Å²	2	47 Å²	47	1%	0.014	22%	0.216	C	C	.	.	H	α-helix	trans	-66.5	-38.5	175.8	-59.5	0	0	0	0	112.1	N470 A473 A478 L479 K480	N470-S476 WeakPolarHBondContact O-CB 3.22Å; N470-S476 PolarHBondContact O-OG 3.48Å; A473-S476 WeakPolarHBondContact O-CA 3.26Å; A473-S476 WeakPolarHBondContact O-CB 3.42Å; A473-S476 PolarHBondContact O-N 3.23Å; S476-A478 VanDerWaalsContact C-N 3.35Å; S476-L479 PolarHBondContact O-N 3.29Å; S476-K480 WeakPolarHBondContact O-CB 3.47Å; S476-K480 WeakPolarHBondContact O-CG 2.96Å; S476-K480 PolarHBondContact O-N 3.5Å
477	Q	89.7	Confident	90.8	Very high	83 Å²	83	46.7 Å²	46.7	39%	0.388	21%	0.213	S	C	.	.	H	α-helix	trans	-63.4	-40.3	173	-65.5	-176.2	-9.1	0	0	111.4	Q472 A473 S474 K480 N481	Q472-Q477 PolarHBondContact O-NE2 3.34Å; A473-Q477 PolarHBondContact O-N 3.29Å; S474-Q477 PolarHBondContact O-N 3.17Å; Q477-K480 PolarHBondContact O-N 2.86Å; Q477-N481 PolarHBondContact O-N 2.83Å; Q477-N481 PolarHBondContact O-ND2 2.82Å
478	A	92	Very high	91.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.1	-46	173.7	0	0	0	0	0	112	Y407 R408 L412 S474 T475 S476 K480 N481	Y407-A478 HydrophobicContact CD1-CB 4.24Å; Y407-A478 HydrophobicContact CE1-CB 3.83Å; Y407-A478 PolarHBondContact OH-O 2.61Å; Y407-A478 VanDerWaalsContact OH-O 3.12Å; R408-A478 HydrophobicContact CG-CB 4.42Å; L412-A478 HydrophobicContact CD1-CB 4.44Å; L412-A478 HydrophobicContact CD2-CB 3.79Å; L412-A478 HydrophobicContact CG-CB 3.93Å; S474-A478 WeakPolarHBondContact O-CB 3.47Å; S474-A478 PolarHBondContact O-N 2.95Å; T475-A478 WeakPolarHBondContact O-CB 3.32Å; T475-A478 PolarHBondContact O-N 2.79Å; S476-A478 VanDerWaalsContact C-N 3.35Å; A478-K480 PolarHBondContact O-N 2.71Å; A478-N481 WeakPolarHBondContact O-CB 3.46Å; A478-N481 PolarHBondContact O-N 3.06Å
479	L	92.9	Very high	91.6	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-66.1	-34.7	178.8	-70.4	168.2	0	0	0	112.6	I334 Y404 Y407 I468 T475 S476 N481 I482 F508	I334-L479 HydrophobicContact CD1-CD2 3.46Å; I334-L479 VanDerWaalsContact CD1-CD2 3.46Å; Y404-L479 HydrophobicContact CD1-CD1 4.22Å; Y404-L479 HydrophobicContact CE1-CD1 3.96Å; Y407-L479 HydrophobicContact CD1-CD2 4.02Å; Y407-L479 HydrophobicContact CD1-CG 4.48Å; Y407-L479 HydrophobicContact CE1-CD2 3.91Å; Y407-L479 HydrophobicContact CE1-CG 4.29Å; I468-L479 HydrophobicContact CD1-CD1 3.91Å; I468-L479 HydrophobicContact CG1-CD1 3.93Å; T475-L479 HydrophobicContact CG2-CD1 4.28Å; T475-L479 VanDerWaalsContact O-CG 3.29Å; T475-L479 WeakPolarHBondContact O-CG 3.41Å; T475-L479 PolarHBondContact O-N 3.42Å; S476-L479 PolarHBondContact O-N 3.29Å; L479-N481 PolarHBondContact O-N 3.28Å; L479-I482 HydrophobicContact CD2-CD1 4.16Å; L479-I482 WeakPolarHBondContact O-CB 3.37Å; L479-I482 WeakPolarHBondContact O-CG1 3.25Å; L479-I482 PolarHBondContact O-N 3.34Å; L479-F508 HydrophobicContact CB-CD2 4.21Å; L479-F508 HydrophobicContact CB-CE2 3.84Å
480	K	88.8	Confident	92	Very high	86 Å²	86	38.5 Å²	38.5	37%	0.374	18%	0.181	S	C	.	.	H	α-helix	trans	-64.6	-19	174.3	-81.3	168.8	172.3	-84.3	0	113.8	S476 Q477 A478 I482 D507	S476-K480 WeakPolarHBondContact O-CB 3.47Å; S476-K480 WeakPolarHBondContact O-CG 2.96Å; S476-K480 PolarHBondContact O-N 3.5Å; Q477-K480 PolarHBondContact O-N 2.86Å; A478-K480 PolarHBondContact O-N 2.71Å; K480-I482 VanDerWaalsContact C-N 3.34Å; K480-D507 IonicContact NZ-OD2 3.79Å; K480-D507 PolarHBondContact NZ-OD2 3.01Å
481	N	89.6	Confident	92.2	Very high	61 Å²	61	37.8 Å²	37.8	33%	0.326	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-15.6	178.1	-80.3	-67.2	0	0	0	114.8	R454 Q477 A478 L479	R454-N481 PolarHBondContact NH2-OD1 3.08Å; Q477-N481 PolarHBondContact O-N 2.83Å; Q477-N481 PolarHBondContact O-ND2 2.82Å; A478-N481 WeakPolarHBondContact O-CB 3.46Å; A478-N481 PolarHBondContact O-N 3.06Å; L479-N481 PolarHBondContact O-N 3.28Å
482	I	92.5	Very high	92.3	Very high	4 Å²	4	37 Å²	37	2%	0.021	17%	0.172	C	C	.	.			trans	-61.4	132.2	177.5	-60.1	174.5	0	0	0	109.8	Y407 V460 L479 K480 R487	Y407-I482 HydrophobicContact CE2-CD1 4.24Å; Y407-I482 HydrophobicContact CE2-CG1 4.45Å; Y407-I482 WeakPolarHBondContact OH-CG1 3.38Å; V460-I482 HydrophobicContact CG1-CD1 4.24Å; V460-I482 HydrophobicContact CG2-CD1 4.22Å; V460-I482 HydrophobicContact CG2-CG2 3.97Å; L479-I482 HydrophobicContact CD2-CD1 4.16Å; L479-I482 WeakPolarHBondContact O-CB 3.37Å; L479-I482 WeakPolarHBondContact O-CG1 3.25Å; L479-I482 PolarHBondContact O-N 3.34Å; K480-I482 VanDerWaalsContact C-N 3.34Å; I482-R487 PolarHBondContact O-NH2 3.35Å
483	R	92.4	Very high	92.3	Very high	180 Å²	180	31.7 Å²	31.7	68%	0.679	15%	0.147	S	C	*	.			trans	-87.9	-25.4	176.4	-168.4	167	175.1	89.2	-3.8	113.9	C453 R454 R485	C453-R483 WeakPolarHBondContact O-CB 3.47Å; C453-R483 PolarHBondContact O-N 2.75Å; R454-R483 HydrophobicContact CG-CB 4.44Å; R483-R485 PolarHBondContact O-N 3.02Å
484	S	93.5	Very high	92.3	Very high	12 Å²	12	31 Å²	31	8%	0.084	14%	0.141	C	C	.	.			trans	-53.1	130.9	175.1	-38	0	0	0	0	112.1	P457 R487	P457-S484 VanDerWaalsContact O-CB 3.24Å; P457-S484 WeakPolarHBondContact O-CB 3.49Å; P457-S484 PolarHBondContact O-OG 2.91Å; S484-R487 PolarHBondContact O-NE 2.84Å; S484-R487 PolarHBondContact O-NH2 2.86Å; S484-R487 VanDerWaalsContact O-NH2 3.07Å
485	R	93	Very high	92.4	Very high	89 Å²	89	29.1 Å²	29.1	34%	0.336	13%	0.127	S	C	.	.			trans	-96.3	-20.4	180	-64.7	-175.6	77.6	-152.2	5.9	114.2	E132 S297 G298 F299 G300 R483 R487	E132-R485 IonicContact OE1-CZ 3.44Å; E132-R485 IonicContact OE1-NH1 3.69Å; E132-R485 PolarHBondContact OE1-NH1 2.91Å; E132-R485 IonicContact OE1-NH2 2.63Å; E132-R485 IonicContact OE2-CZ 2.73Å; E132-R485 IonicContact OE2-NH1 2.65Å; E132-R485 PolarHBondContact OE2-NH1 3.29Å; E132-R485 IonicContact OE2-NH2 3.78Å; E132-R485 PolarHBondContact OE2-NH2 2.76Å; S297-R485 WeakPolarHBondContact OG-CD 3.13Å; S297-R485 PolarHBondContact OG-NH1 3.14Å; G298-R485 WeakPolarHBondContact O-CB 3.4Å; F299-R485 CarbonylContact C-O 3.56Å; G300-R485 PolarHBondContact N-O 2.71Å; G300-R485 VanDerWaalsContact N-O 3.12Å; R483-R485 PolarHBondContact O-N 3.02Å; R485-R487 PolarHBondContact O-N 2.71Å; R485-R487 VanDerWaalsContact O-N 3.12Å
486	R	96	Very high	92.2	Very high	19 Å²	19	28.3 Å²	28.3	7%	0.072	12%	0.121	C	C	.	.			trans	-75.7	93	172	-68.6	174.1	175.1	101.7	1.6	109.9	L286 F293 S296 S297 V459 V460	L286-R486 HydrophobicContact CB-CG 4.5Å; L286-R486 HydrophobicContact CD2-CB 4.22Å; L286-R486 HydrophobicContact CG-CB 4.09Å; L286-R486 HydrophobicContact CG-CG 4.25Å; L286-R486 PolarHBondContact O-NE 3.24Å; F293-R486 VanDerWaalsContact CE2-NE 3.25Å; F293-R486 PolarHBondContact O-NH2 2.78Å; S296-R486 PolarHBondContact O-NH1 3.46Å; S296-R486 VanDerWaalsContact O-NH1 3.08Å; S296-R486 PolarHBondContact O-NH2 3.14Å; S297-R486 PolarHBondContact O-NH1 3.36Å; V459-R486 WeakPolarHBondContact CA-O 3.47Å; V459-R486 HydrophobicContact CB-CB 4.42Å; V459-R486 HydrophobicContact CG1-CB 4.41Å; V459-R486 HydrophobicContact CG2-CB 3.99Å; V460-R486 PolarHBondContact N-O 3.09Å
487	R	96.6	Very high	92.1	Very high	20 Å²	20	29.1 Å²	29.1	8%	0.075	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	116.9	-175.9	-62.1	172	-170.2	-172.2	-0.4	110.8	G300 C301 V460 I482 S484 R485 F508	G300-R487 CarbonylContact C-O 3.55Å; G300-R487 WeakPolarHBondContact CA-O 3.44Å; C301-R487 PolarHBondContact N-O 3.44Å; V460-R487 HydrophobicContact CB-CG 4.48Å; V460-R487 CarbonylContact O-C 3.57Å; V460-R487 WeakPolarHBondContact O-CA 3.48Å; I482-R487 PolarHBondContact O-NH2 3.35Å; S484-R487 PolarHBondContact O-NE 2.84Å; S484-R487 PolarHBondContact O-NH2 2.86Å; S484-R487 VanDerWaalsContact O-NH2 3.07Å; R485-R487 PolarHBondContact O-N 2.71Å; R485-R487 VanDerWaalsContact O-N 3.12Å; R487-F508 HydrophobicContact CB-CE1 4.26Å; R487-F508 HydrophobicContact CB-CZ 4.48Å; R487-F508 WeakPolarHBondContact CD-O 3.43Å; R487-F508 HydrophobicContact CG-CZ 4.31Å; R487-F508 PolarHBondContact NH1-O 3.01Å
488	V	98	Very high	92.2	Very high	2 Å²	2	28 Å²	28	1%	0.012	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	123.5	173.6	-169.9	0	0	0	0	108.9	L282 L286 C301 V460 I461 C462 L490	L282-V488 HydrophobicContact CD2-CG1 3.65Å; L282-V488 HydrophobicContact CD2-CG2 4.12Å; L286-V488 HydrophobicContact CD1-CG2 4.03Å; L286-V488 HydrophobicContact CD2-CG2 3.59Å; L286-V488 HydrophobicContact CG-CG2 4.47Å; C301-V488 WeakPolarHBondContact O-CA 3.37Å; V460-V488 PolarHBondContact O-N 3.38Å; I461-V488 CarbonylContact C-O 3.52Å; I461-V488 WeakPolarHBondContact CA-O 3.47Å; I461-V488 HydrophobicContact CG1-CB 4.14Å; I461-V488 HydrophobicContact CG1-CG2 4.28Å; C462-V488 PolarHBondContact N-O 3.39Å; V488-L490 HydrophobicContact CG1-CD2 3.63Å
489	V	97.6	Very high	92.2	Very high	0 Å²	0	28 Å²	28	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130	166.1	168.7	0	0	0	0	109.6	C301 I302 L303 C462 I468 M505 F508 V509	C301-V489 PolarHBondContact O-N 3.06Å; I302-V489 CarbonylContact C-O 3.56Å; I302-V489 WeakPolarHBondContact CA-O 3.47Å; I302-V489 HydrophobicContact CG1-CB 4.29Å; I302-V489 HydrophobicContact CG2-CB 4.33Å; I302-V489 HydrophobicContact CG2-CG1 4.2Å; L303-V489 PolarHBondContact N-O 3.07Å; C462-V489 HydrophobicContact CB-CG2 4.25Å; I468-V489 HydrophobicContact CD1-CG2 4.44Å; V489-M505 HydrophobicContact CG1-CG 3.92Å; V489-M505 HydrophobicContact CG1-SD 3.8Å; V489-F508 HydrophobicContact CG2-CD1 3.71Å; V489-F508 HydrophobicContact CG2-CE1 3.88Å; V489-V509 HydrophobicContact CB-CG2 4.09Å; V489-V509 HydrophobicContact CG2-CG2 3.44Å; V489-V509 VanDerWaalsContact CG2-CG2 3.44Å
490	L	96.8	Very high	92.2	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	131.6	172.3	-42.1	175.6	0	0	0	108	L303 K311 V315 W343 I461 C462 D463 E464 G465 V488	L303-L490 HydrophobicContact CB-CD2 3.93Å; L303-L490 HydrophobicContact CD2-CD2 4.04Å; K311-L490 HydrophobicContact CD-CB 4.05Å; V315-L490 HydrophobicContact CG2-CD1 3.88Å; V315-L490 HydrophobicContact CG2-CD2 3.56Å; V315-L490 HydrophobicContact CG2-CG 4.35Å; W343-L490 HydrophobicContact CH2-CD1 3.74Å; W343-L490 HydrophobicContact CZ2-CD1 3.67Å; I461-L490 HydrophobicContact CG2-CD1 3.9Å; I461-L490 HydrophobicContact CG2-CG 4.2Å; C462-L490 PolarHBondContact O-N 2.86Å; D463-L490 HydrophobicContact CB-CD1 4.17Å; E464-L490 CarbonylContact C-O 3.55Å; E464-L490 WeakPolarHBondContact CA-O 3.28Å; E464-L490 PolarHBondContact N-O 3.07Å; E464-L490 VanDerWaalsContact N-O 3.08Å; G465-L490 PolarHBondContact N-O 3.33Å; V488-L490 HydrophobicContact CG1-CD2 3.63Å
491	T	93.2	Very high	92.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	11%	0.111	C	C	.	.			trans	-156.1	148.1	174.1	-179.6	0	0	0	0	111	I302 L303 A304 H305 K311 Y493 P494 M505	I302-T491 HydrophobicContact CG2-CG2 4.28Å; L303-T491 PolarHBondContact O-N 2.71Å; A304-T491 CarbonylContact C-O 3.13Å; A304-T491 WeakPolarHBondContact CA-O 3.11Å; A304-T491 HydrophobicContact CB-CG2 4.42Å; H305-T491 VanDerWaalsContact O-O 3.06Å; K311-T491 PolarHBondContact NZ-O 2.87Å; T491-Y493 PolarHBondContact OG1-N 3.47Å; T491-Y493 PolarHBondContact OG1-O 3.29Å; T491-P494 HydrophobicContact CG2-CB 3.84Å; T491-M505 HydrophobicContact CG2-SD 3.97Å
492	G	89.5	Confident	92.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-80.1	-26.1	164.1	0	0	0	0	0	113.3	R561	G492-R561 PolarHBondContact O-NH1 2.96Å
493	Y	88	Confident	92.7	Very high	11 Å²	11	23.3 Å²	23.3	4%	0.043	10%	0.099	C	C	.	.			trans	-139.1	90.7	-169	-61	-93.3	0	0	0	108.7	M307 H466 T491 L495 C841 A844 Q845	M307-Y493 HydrophobicContact CG-CE2 4.19Å; M307-Y493 HydrophobicContact SD-CE2 4.4Å; H466-Y493 WeakPolarHBondContact CB-O 2.95Å; T491-Y493 PolarHBondContact OG1-N 3.47Å; T491-Y493 PolarHBondContact OG1-O 3.29Å; Y493-L495 PolarHBondContact O-N 3.27Å; Y493-C841 WeakPolarHBondContact CD2-SG 3.5Å; Y493-C841 HydrophobicContact CG-CB 4.38Å; Y493-A844 HydrophobicContact CE1-CB 3.97Å; Y493-A844 VanDerWaalsContact OH-CB 3.31Å; Y493-A844 WeakPolarHBondContact OH-CB 3.24Å; Y493-Q845 HydrophobicContact CD2-CG 4.41Å; Y493-Q845 HydrophobicContact CE2-CG 4.01Å
494	P	89.4	Confident	92.8	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.006	7%	0.067	C	C	.	.	S	Bend	trans	-73.7	-8.1	-179.1	31	-36.2	0	0	0	113.8	A304 T491 Y502 M505 V889	A304-P494 HydrophobicContact CB-CB 4.38Å; A304-P494 HydrophobicContact CB-CG 4.04Å; T491-P494 HydrophobicContact CG2-CB 3.84Å; P494-Y502 HydrophobicContact CB-CD2 3.94Å; P494-Y502 HydrophobicContact CB-CE2 3.73Å; P494-Y502 HydrophobicContact CG-CE2 4.43Å; P494-Y502 VanDerWaalsContact O-CD2 3.29Å; P494-Y502 WeakPolarHBondContact O-CD2 3.47Å; P494-M505 HydrophobicContact CB-CE 4.43Å; P494-M505 HydrophobicContact CB-SD 4.12Å; P494-M505 WeakPolarHBondContact O-CE 3.29Å; P494-V889 HydrophobicContact CG-CB 4.41Å; P494-V889 HydrophobicContact CG-CG1 3.52Å; P494-V889 HydrophobicContact CG-CG2 3.91Å
495	L	90.6	Very high	92.8	Very high	4 Å²	4	14.4 Å²	14.4	2%	0.021	6%	0.064	C	C	.	.			trans	-143.6	129	179.1	173.8	50.1	0	0	0	107.1	Y493 N498 L499 M884 V888 V889	Y493-L495 PolarHBondContact O-N 3.27Å; L495-N498 WeakPolarHBondContact CD1-O 3.41Å; L495-L499 HydrophobicContact CD2-CD2 3.76Å; L495-M884 HydrophobicContact CD2-CG 4.39Å; L495-V888 HydrophobicContact CD2-CB 4.34Å; L495-V889 HydrophobicContact CB-CG2 4.06Å; L495-V889 HydrophobicContact CD2-CG2 4.31Å
496	Q	86.9	Confident	92.9	Very high	20 Å²	20	10.2 Å²	10.2	9%	0.093	5%	0.048	C	C	.	.	S	Bend	trans	-121.6	-49.9	-174.5	-67.6	-171.4	-28	0	0	112.4	H466 E501 N839 C841	H466-Q496 PolarHBondContact CD2-NE2 3.41Å; Q496-E501 PolarHBondContact N-OE2 2.98Å; Q496-E501 VanDerWaalsContact N-OE2 3.14Å; Q496-N839 PolarHBondContact OE1-ND2 3.14Å; Q496-C841 HydrophobicContact CB-CB 4.44Å; Q496-C841 HydrophobicContact CG-CB 3.9Å; Q496-C841 PolarHBondContact NE2-SG 3.44Å
497	N	87.9	Confident	92.8	Very high	18 Å²	18	10 Å²	10	10%	0.096	5%	0.049	C	C	.	.	S	Bend	trans	-121.8	-48.4	-176.4	-54.8	-74	0	0	0	112.6	H37 E501 K881 M884	H37-N497 PolarHBondContact NE2-ND2 3.13Å; N497-E501 WeakPolarHBondContact CB-OE1 3.46Å; N497-E501 PolarHBondContact N-OE2 3.38Å; N497-E501 PolarHBondContact ND2-OE1 3.25Å; N497-K881 HydrophobicContact CB-CD 4.41Å; N497-K881 PolarHBondContact OD1-NZ 3.39Å; N497-M884 WeakPolarHBondContact O-CE 3.36Å
498	N	90.3	Very high	92.7	Very high	59 Å²	59	9.2 Å²	9.2	32%	0.316	5%	0.046	S	C	.	.			trans	-150	158.5	-170.4	80.2	59.9	0	0	0	113.1	L495 I500 E501	L495-N498 WeakPolarHBondContact CD1-O 3.41Å; N498-I500 VanDerWaalsContact C-N 3.25Å; N498-I500 PolarHBondContact O-N 2.96Å; N498-I500 WeakPolarHBondContact OD1-CA 3.31Å; N498-I500 VanDerWaalsContact OD1-CB 3.26Å; N498-I500 WeakPolarHBondContact OD1-CB 3.5Å; N498-I500 PolarHBondContact OD1-N 2.91Å; N498-E501 PolarHBondContact N-OE2 2.66Å; N498-E501 VanDerWaalsContact N-OE2 3.08Å; N498-E501 WeakPolarHBondContact O-CB 3.18Å; N498-E501 WeakPolarHBondContact O-CG 3.4Å; N498-E501 PolarHBondContact O-N 2.89Å; N498-E501 PolarHBondContact OD1-N 3.07Å
499	L	92.4	Very high	92.5	Very high	2 Å²	2	9.3 Å²	9.3	1%	0.01	5%	0.046	C	C	.	.	H	α-helix	trans	-68.9	-16.2	-172.8	-72.8	164.9	0	0	0	114.8	L495 E501 Y502 W503 F520 E525 I528 M884 V888	L495-L499 HydrophobicContact CD2-CD2 3.76Å; L499-E501 VanDerWaalsContact C-N 3.34Å; L499-Y502 PolarHBondContact O-N 3.2Å; L499-W503 PolarHBondContact O-N 3.05Å; L499-W503 VanDerWaalsContact O-N 3.09Å; L499-F520 HydrophobicContact CB-CE1 3.99Å; L499-F520 HydrophobicContact CB-CZ 4.13Å; L499-F520 WeakPolarHBondContact O-CE1 3.17Å; L499-E525 HydrophobicContact CB-CG 4.22Å; L499-I528 HydrophobicContact CD1-CB 4.02Å; L499-I528 HydrophobicContact CD1-CD1 4.26Å; L499-I528 HydrophobicContact CD1-CG2 3.85Å; L499-M884 HydrophobicContact CD1-SD 4.09Å; L499-M884 HydrophobicContact CG-SD 3.96Å; L499-V888 HydrophobicContact CD2-CB 4.46Å; L499-V888 HydrophobicContact CD2-CG1 4Å; L499-V888 HydrophobicContact CD2-CG2 4.21Å
500	I	93	Very high	92.3	Very high	20 Å²	20	9.8 Å²	9.8	10%	0.103	5%	0.048	C	C	.	.	H	α-helix	trans	-72.2	-30.6	175.5	-54	-55.6	0	0	0	110.8	N498 Y502 W503 C504 R517 F520 E525	N498-I500 VanDerWaalsContact C-N 3.25Å; N498-I500 PolarHBondContact O-N 2.96Å; N498-I500 WeakPolarHBondContact OD1-CA 3.31Å; N498-I500 VanDerWaalsContact OD1-CB 3.26Å; N498-I500 WeakPolarHBondContact OD1-CB 3.5Å; N498-I500 PolarHBondContact OD1-N 2.91Å; I500-Y502 VanDerWaalsContact C-N 3.34Å; I500-Y502 PolarHBondContact O-N 3.42Å; I500-W503 HydrophobicContact CG2-CE3 4.32Å; I500-W503 PolarHBondContact O-N 3.48Å; I500-C504 PolarHBondContact O-N 2.86Å; I500-C504 PolarHBondContact O-SG 3.44Å; I500-R517 HydrophobicContact CD1-CG 4.31Å; I500-F520 HydrophobicContact CD1-CD1 4.01Å; I500-F520 HydrophobicContact CD1-CE1 4.17Å; I500-E525 HydrophobicContact CD1-CG 4.33Å
501	E	92.7	Very high	92.1	Very high	7 Å²	7	12.5 Å²	12.5	3%	0.033	7%	0.065	C	C	.	.	H	α-helix	trans	-59.5	-46.7	173.3	-54.6	173	143.3	0	0	111.1	H37 K469 Q496 N497 N498 L499 C504 M505	H37-E501 IonicContact CE1-OE1 3.04Å; H37-E501 PolarHBondContact CE1-OE1 3.47Å; H37-E501 IonicContact NE2-OE1 2.72Å; K469-E501 HydrophobicContact CB-CB 4.33Å; K469-E501 HydrophobicContact CB-CG 4.1Å; K469-E501 WeakPolarHBondContact O-CA 3.42Å; Q496-E501 PolarHBondContact N-OE2 2.98Å; Q496-E501 VanDerWaalsContact N-OE2 3.14Å; N497-E501 WeakPolarHBondContact CB-OE1 3.46Å; N497-E501 PolarHBondContact N-OE2 3.38Å; N497-E501 PolarHBondContact ND2-OE1 3.25Å; N498-E501 PolarHBondContact N-OE2 2.66Å; N498-E501 VanDerWaalsContact N-OE2 3.08Å; N498-E501 WeakPolarHBondContact O-CB 3.18Å; N498-E501 WeakPolarHBondContact O-CG 3.4Å; N498-E501 PolarHBondContact O-N 2.89Å; N498-E501 PolarHBondContact OD1-N 3.07Å; L499-E501 VanDerWaalsContact C-N 3.34Å; E501-C504 PolarHBondContact O-N 3.13Å; E501-M505 PolarHBondContact O-N 2.83Å; E501-M505 VanDerWaalsContact O-N 3.08Å
502	Y	93.9	Very high	92	Very high	8 Å²	8	15.1 Å²	15.1	3%	0.031	8%	0.079	C	C	.	.	H	α-helix	trans	-69.8	-35.4	179	-170.3	-148.1	0	0	0	111.6	P494 L499 I500 M505 V506 L555 V888	P494-Y502 HydrophobicContact CB-CD2 3.94Å; P494-Y502 HydrophobicContact CB-CE2 3.73Å; P494-Y502 HydrophobicContact CG-CE2 4.43Å; P494-Y502 VanDerWaalsContact O-CD2 3.29Å; P494-Y502 WeakPolarHBondContact O-CD2 3.47Å; L499-Y502 PolarHBondContact O-N 3.2Å; I500-Y502 VanDerWaalsContact C-N 3.34Å; I500-Y502 PolarHBondContact O-N 3.42Å; Y502-M505 PolarHBondContact O-N 3.01Å; Y502-V506 HydrophobicContact CD2-CG2 4.17Å; Y502-V506 HydrophobicContact CE2-CG2 4.02Å; Y502-V506 WeakPolarHBondContact O-CB 3.43Å; Y502-V506 WeakPolarHBondContact O-CG2 3.43Å; Y502-V506 PolarHBondContact O-N 2.84Å; Y502-L555 HydrophobicContact CD1-CD1 4.42Å; Y502-L555 HydrophobicContact CE1-CD1 3.46Å; Y502-L555 VanDerWaalsContact CE1-CD1 3.46Å; Y502-L555 WeakPolarHBondContact OH-CD1 3.48Å; Y502-V888 HydrophobicContact CD1-CG1 4.33Å; Y502-V888 HydrophobicContact CE1-CG1 4.19Å
503	W	94.7	Very high	92.1	Very high	18 Å²	18	15.5 Å²	15.5	7%	0.068	8%	0.081	C	C	.	.	H	α-helix	trans	-62.1	-44	170.6	175	85.2	0	0	0	112	C471 L499 I500 M505 V506 D507 G515 R517 F520	C471-W503 HydrophobicContact CB-CZ3 4.31Å; L499-W503 PolarHBondContact O-N 3.05Å; L499-W503 VanDerWaalsContact O-N 3.09Å; I500-W503 HydrophobicContact CG2-CE3 4.32Å; I500-W503 PolarHBondContact O-N 3.48Å; W503-M505 VanDerWaalsContact C-N 3.32Å; W503-M505 PolarHBondContact O-N 3.32Å; W503-V506 PolarHBondContact O-N 3.44Å; W503-D507 HydrophobicContact CZ2-CB 4.34Å; W503-D507 VanDerWaalsContact O-CB 3.22Å; W503-D507 WeakPolarHBondContact O-CB 3.42Å; W503-D507 PolarHBondContact O-N 2.92Å; W503-G515 PolarHBondContact NE1-O 3.02Å; W503-R517 HydrophobicContact CE3-CB 4.33Å; W503-R517 HydrophobicContact CH2-CB 3.83Å; W503-R517 HydrophobicContact CZ2-CB 4.06Å; W503-R517 VanDerWaalsContact CZ2-N 3.31Å; W503-R517 HydrophobicContact CZ3-CB 3.96Å; W503-F520 HydrophobicContact CB-CD1 3.78Å; W503-F520 HydrophobicContact CB-CD2 4.45Å; W503-F520 HydrophobicContact CB-CE1 3.74Å; W503-F520 HydrophobicContact CB-CE2 4.41Å; W503-F520 HydrophobicContact CB-CG 4.15Å; W503-F520 HydrophobicContact CB-CZ 4.06Å; W503-F520 AromaticContact CD1-CD1 3.93Å; W503-F520 AromaticContact CD1-CD2 3.78Å; W503-F520 AromaticContact CD1-CG 3.47Å; W503-F520 VanDerWaalsContact CD1-CG 3.47Å; W503-F520 HydrophobicContact CG-CB 4.28Å; W503-F520 AromaticContact CG-CD1 3.93Å; W503-F520 HydrophobicContact CG-CD1 3.93Å; W503-F520 HydrophobicContact CG-CD2 4.42Å; W503-F520 HydrophobicContact CG-CE1 4.38Å; W503-F520 AromaticContact CG-CG 3.95Å; W503-F520 HydrophobicContact CG-CG 3.95Å
504	C	94.4	Very high	92.3	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.014	8%	0.082	C	C	.	.	H	α-helix	trans	-60.9	-40.7	177.2	-67.6	0	0	0	0	112.1	I468 C471 I500 E501 F508	I468-C504 WeakPolarHBondContact O-CB 3.34Å; C471-C504 PolarHBondContact N-SG 3.08Å; I500-C504 PolarHBondContact O-N 2.86Å; I500-C504 PolarHBondContact O-SG 3.44Å; E501-C504 PolarHBondContact O-N 3.13Å; C504-F508 PolarHBondContact O-N 3.49Å
505	M	94.4	Very high	92.3	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.015	8%	0.082	C	C	.	.	H	α-helix	trans	-67.6	-42	176.9	-167	-174.3	-51.5	0	0	112.5	I302 H466 V489 T491 P494 E501 Y502 W503 V509	I302-M505 HydrophobicContact CD1-CG 4.06Å; I302-M505 HydrophobicContact CD1-SD 4.27Å; I302-M505 HydrophobicContact CG2-SD 4.3Å; H466-M505 HydrophobicContact CB-CE 4.23Å; V489-M505 HydrophobicContact CG1-CG 3.92Å; V489-M505 HydrophobicContact CG1-SD 3.8Å; T491-M505 HydrophobicContact CG2-SD 3.97Å; P494-M505 HydrophobicContact CB-CE 4.43Å; P494-M505 HydrophobicContact CB-SD 4.12Å; P494-M505 WeakPolarHBondContact O-CE 3.29Å; E501-M505 PolarHBondContact O-N 2.83Å; E501-M505 VanDerWaalsContact O-N 3.08Å; Y502-M505 PolarHBondContact O-N 3.01Å; W503-M505 VanDerWaalsContact C-N 3.32Å; W503-M505 PolarHBondContact O-N 3.32Å; M505-V509 PolarHBondContact O-N 2.85Å
506	V	94.5	Very high	92.2	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.006	10%	0.095	C	C	.	.	H	α-helix	trans	-67.4	-44.1	175.5	170	0	0	0	0	111	I302 Y502 W503 F508 V509 R510 L514 L555 F558	I302-V506 HydrophobicContact CD1-CG2 3.87Å; Y502-V506 HydrophobicContact CD2-CG2 4.17Å; Y502-V506 HydrophobicContact CE2-CG2 4.02Å; Y502-V506 WeakPolarHBondContact O-CB 3.43Å; Y502-V506 WeakPolarHBondContact O-CG2 3.43Å; Y502-V506 PolarHBondContact O-N 2.84Å; W503-V506 PolarHBondContact O-N 3.44Å; V506-F508 VanDerWaalsContact C-N 3.31Å; V506-F508 PolarHBondContact O-N 3.43Å; V506-V509 CarbonylContact O-C 3.32Å; V506-V509 PolarHBondContact O-N 3.42Å; V506-R510 CarbonylContact O-C 3.5Å; V506-R510 WeakPolarHBondContact O-CA 3.31Å; V506-R510 PolarHBondContact O-N 3.48Å; V506-L514 HydrophobicContact CB-CD1 3.91Å; V506-L514 HydrophobicContact CG1-CD1 3.62Å; V506-L514 HydrophobicContact CG1-CG 3.81Å; V506-L514 HydrophobicContact CG2-CD1 4.29Å; V506-L555 HydrophobicContact CG1-CD2 3.94Å; V506-L555 HydrophobicContact CG2-CD1 4.44Å; V506-L555 HydrophobicContact CG2-CD2 3.94Å; V506-F558 HydrophobicContact CG1-CE2 4.08Å; V506-F558 HydrophobicContact CG1-CZ 4.19Å
507	D	94.1	Very high	92.3	Very high	15 Å²	15	19.8 Å²	19.8	8%	0.08	10%	0.102	C	C	.	.	H	α-helix	trans	-63.1	-33.7	177.6	179.4	63	0	0	0	112.4	K480 W503 V509 R510 P511 D512	K480-D507 IonicContact NZ-OD2 3.79Å; K480-D507 PolarHBondContact NZ-OD2 3.01Å; W503-D507 HydrophobicContact CZ2-CB 4.34Å; W503-D507 VanDerWaalsContact O-CB 3.22Å; W503-D507 WeakPolarHBondContact O-CB 3.42Å; W503-D507 PolarHBondContact O-N 2.92Å; D507-V509 VanDerWaalsContact C-N 3.29Å; D507-V509 PolarHBondContact O-N 3.44Å; D507-R510 CarbonylContact O-C 3.51Å; D507-P511 WeakPolarHBondContact O-CA 3.36Å; D507-P511 WeakPolarHBondContact O-CD 3.49Å; D507-P511 WeakPolarHBondContact O-CG 3.43Å; D507-P511 VanDerWaalsContact O-N 3.1Å; D507-P511 WeakPolarHBondContact OD1-CA 3.26Å; D507-D512 PolarHBondContact OD1-N 3.12Å; D507-D512 VanDerWaalsContact OD1-N 3.09Å
508	F	94.2	Very high	92.3	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.009	12%	0.115	C	C	.	.	H	α-helix	trans	-61.8	-34.8	170.3	173.1	-109	0	0	0	112.8	C462 I468 L479 R487 V489 C504 V506	C462-F508 HydrophobicContact CB-CE1 4.33Å; I468-F508 HydrophobicContact CD1-CB 4.48Å; I468-F508 HydrophobicContact CD1-CD1 3.54Å; I468-F508 HydrophobicContact CD1-CE1 3.85Å; I468-F508 HydrophobicContact CD1-CG 3.94Å; I468-F508 HydrophobicContact CD1-CZ 4.49Å; I468-F508 HydrophobicContact CG2-CB 4.26Å; L479-F508 HydrophobicContact CB-CD2 4.21Å; L479-F508 HydrophobicContact CB-CE2 3.84Å; R487-F508 HydrophobicContact CB-CE1 4.26Å; R487-F508 HydrophobicContact CB-CZ 4.48Å; R487-F508 WeakPolarHBondContact CD-O 3.43Å; R487-F508 HydrophobicContact CG-CZ 4.31Å; R487-F508 PolarHBondContact NH1-O 3.01Å; V489-F508 HydrophobicContact CG2-CD1 3.71Å; V489-F508 HydrophobicContact CG2-CE1 3.88Å; C504-F508 PolarHBondContact O-N 3.49Å; V506-F508 VanDerWaalsContact C-N 3.31Å; V506-F508 PolarHBondContact O-N 3.43Å
509	V	94.7	Very high	92.1	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.024	10%	0.102	C	C	.	.	H	α-helix	trans	-95.2	-29.2	-174.4	172.9	0	0	0	0	113.7	C301 I302 V489 M505 V506 D507	C301-V509 VanDerWaalsContact N-CG1 3.27Å; I302-V509 HydrophobicContact CG1-CB 4.3Å; I302-V509 HydrophobicContact CG1-CG1 4.2Å; I302-V509 HydrophobicContact CG1-CG2 4.01Å; V489-V509 HydrophobicContact CB-CG2 4.09Å; V489-V509 HydrophobicContact CG2-CG2 3.44Å; V489-V509 VanDerWaalsContact CG2-CG2 3.44Å; M505-V509 PolarHBondContact O-N 2.85Å; V506-V509 CarbonylContact O-C 3.32Å; V506-V509 PolarHBondContact O-N 3.42Å; D507-V509 VanDerWaalsContact C-N 3.29Å; D507-V509 PolarHBondContact O-N 3.44Å
510	R	93.4	Very high	92	Very high	11 Å²	11	20.2 Å²	20.2	4%	0.042	10%	0.102	C	C	.	.	S	Bend	trans	-141.2	79.4	177.8	-81.3	-71.7	-171.6	-61.5	-7.6	107.9	E133 N285 G300 V506 D507 D512 F513 F558	E133-R510 IonicContact OE2-CZ 3.53Å; E133-R510 IonicContact OE2-NE 2.69Å; E133-R510 PolarHBondContact OE2-NE 3.42Å; E133-R510 IonicContact OE2-NH2 3.61Å; E133-R510 PolarHBondContact OE2-NH2 3.28Å; N285-R510 PolarHBondContact OD1-NH2 2.93Å; G300-R510 PolarHBondContact O-NH1 2.7Å; V506-R510 CarbonylContact O-C 3.5Å; V506-R510 WeakPolarHBondContact O-CA 3.31Å; V506-R510 PolarHBondContact O-N 3.48Å; D507-R510 CarbonylContact O-C 3.51Å; R510-D512 PolarHBondContact O-N 2.99Å; R510-F513 HydrophobicContact CB-CB 3.71Å; R510-F513 HydrophobicContact CB-CG 4.31Å; R510-F513 WeakPolarHBondContact O-CB 3.4Å; R510-F513 PolarHBondContact O-N 3.4Å; R510-F558 HydrophobicContact CB-CE2 4.18Å; R510-F558 HydrophobicContact CB-CZ 4.38Å; R510-F558 HydrophobicContact CG-CD1 4.49Å; R510-F558 HydrophobicContact CG-CD2 3.79Å; R510-F558 HydrophobicContact CG-CE1 4.35Å; R510-F558 HydrophobicContact CG-CE2 3.64Å; R510-F558 HydrophobicContact CG-CG 4.22Å; R510-F558 HydrophobicContact CG-CZ 3.92Å
511	P	92.2	Very high	91.9	Very high	56 Å²	56	19.7 Å²	19.7	36%	0.364	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	137.1	177.1	-28.4	35.2	0	0	0	111.9	D507 F513	D507-P511 WeakPolarHBondContact O-CA 3.36Å; D507-P511 WeakPolarHBondContact O-CD 3.49Å; D507-P511 WeakPolarHBondContact O-CG 3.43Å; D507-P511 VanDerWaalsContact O-N 3.1Å; D507-P511 WeakPolarHBondContact OD1-CA 3.26Å; P511-F513 PolarHBondContact O-N 2.94Å
512	D	90.1	Very high	91.6	Very high	55 Å²	55	19.6 Å²	19.6	29%	0.294	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	-2	176.8	-52.1	-72	0	0	0	116.5	V125 T126 D507 R510 L514 G515	V125-D512 HydrophobicContact CB-CB 4.35Å; V125-D512 HydrophobicContact CG1-CB 3.89Å; V125-D512 VanDerWaalsContact CG1-OD2 3.31Å; V125-D512 WeakPolarHBondContact CG1-OD2 3.33Å; T126-D512 WeakPolarHBondContact CA-O 3.34Å; D507-D512 PolarHBondContact OD1-N 3.12Å; D507-D512 VanDerWaalsContact OD1-N 3.09Å; R510-D512 PolarHBondContact O-N 2.99Å; D512-L514 PolarHBondContact O-N 2.93Å; D512-G515 WeakPolarHBondContact O-CA 3.36Å; D512-G515 PolarHBondContact O-N 3.31Å
513	F	92.7	Very high	91.3	Very high	9 Å²	9	19.8 Å²	19.8	4%	0.039	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-41	-174.3	172.5	-95.8	0	0	0	113.8	A129 Q130 E133 R510 P511 G515 L555 F558	A129-F513 HydrophobicContact CB-CB 4.32Å; Q130-F513 HydrophobicContact CG-CD2 4.11Å; Q130-F513 HydrophobicContact CG-CE2 4.19Å; Q130-F513 WeakPolarHBondContact CG-O 3.35Å; Q130-F513 PolarHBondContact NE2-O 2.83Å; E133-F513 HydrophobicContact CB-CD2 4.16Å; E133-F513 HydrophobicContact CB-CE2 3.81Å; E133-F513 HydrophobicContact CG-CD2 4.38Å; E133-F513 HydrophobicContact CG-CE2 3.68Å; E133-F513 HydrophobicContact CG-CZ 4.23Å; R510-F513 HydrophobicContact CB-CB 3.71Å; R510-F513 HydrophobicContact CB-CG 4.31Å; R510-F513 WeakPolarHBondContact O-CB 3.4Å; R510-F513 PolarHBondContact O-N 3.4Å; P511-F513 PolarHBondContact O-N 2.94Å; F513-G515 PolarHBondContact O-N 2.98Å; F513-L555 HydrophobicContact CE1-CD2 4.37Å; F513-F558 AromaticContact CD1-CE1 3.91Å; F513-F558 HydrophobicContact CD1-CE1 3.91Å; F513-F558 AromaticContact CD1-CZ 3.63Å; F513-F558 HydrophobicContact CD1-CZ 3.63Å; F513-F558 AromaticContact CE1-CE1 3.49Å; F513-F558 HydrophobicContact CE1-CE1 3.49Å; F513-F558 VanDerWaalsContact CE1-CE1 3.49Å; F513-F558 AromaticContact CE1-CZ 3.59Å; F513-F558 HydrophobicContact CE1-CZ 3.59Å; F513-F558 HydrophobicContact CE2-CE1 4.4Å; F513-F558 HydrophobicContact CG-CZ 4.4Å; F513-F558 AromaticContact CZ-CE1 3.76Å; F513-F558 HydrophobicContact CZ-CE1 3.76Å; F513-F558 HydrophobicContact CZ-CZ 4.32Å
514	L	91.5	Very high	91.2	Very high	11 Å²	11	19 Å²	19	6%	0.058	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	2.7	172.6	-69.8	-177.7	0	0	0	113.1	V506 D512 F520 L551 L555	V506-L514 HydrophobicContact CB-CD1 3.91Å; V506-L514 HydrophobicContact CG1-CD1 3.62Å; V506-L514 HydrophobicContact CG1-CG 3.81Å; V506-L514 HydrophobicContact CG2-CD1 4.29Å; D512-L514 PolarHBondContact O-N 2.93Å; L514-F520 HydrophobicContact CB-CD2 4.16Å; L514-F520 HydrophobicContact CD1-CD2 4.04Å; L514-F520 HydrophobicContact CD1-CE2 3.93Å; L514-L551 HydrophobicContact CD1-CD1 4.41Å; L514-L551 HydrophobicContact CD2-CD1 3.91Å; L514-L555 HydrophobicContact CD1-CD2 4.31Å; L514-L555 HydrophobicContact CD2-CD2 4.07Å; L514-L555 HydrophobicContact CG-CD2 4.4Å
515	G	89.3	Confident	91.1	Very high	1 Å²	1	20 Å²	20	1%	0.01	10%	0.103	C	C	.	.			trans	78.5	179.1	-170	0	0	0	0	0	113.6	T126 W503 D512 F513 E519	T126-G515 VanDerWaalsContact CG2-CA 3.49Å; W503-G515 PolarHBondContact NE1-O 3.02Å; D512-G515 WeakPolarHBondContact O-CA 3.36Å; D512-G515 PolarHBondContact O-N 3.31Å; F513-G515 PolarHBondContact O-N 2.98Å; G515-E519 WeakPolarHBondContact CA-OE2 3.22Å
516	T	89.2	Confident	91	Very high	47 Å²	47	22.9 Å²	22.9	29%	0.288	11%	0.113	S	C	.	.			trans	-60.6	159.6	175.2	70	0	0	0	0	111.2	E123 Q518 E519 F520	E123-T516 HydrophobicContact CG-CG2 4.09Å; T516-Q518 PolarHBondContact O-N 2.98Å; T516-Q518 VanDerWaalsContact O-N 3.11Å; T516-E519 PolarHBondContact N-OE2 3.09Å; T516-E519 WeakPolarHBondContact O-CA 3.5Å; T516-E519 WeakPolarHBondContact O-CB 3.34Å; T516-E519 PolarHBondContact O-N 2.98Å; T516-E519 WeakPolarHBondContact OG1-CG 3.32Å; T516-E519 PolarHBondContact OG1-N 3.33Å; T516-F520 PolarHBondContact O-N 2.96Å
517	R	88.7	Confident	90.8	Very high	67 Å²	67	23 Å²	23	25%	0.253	11%	0.114	S	C	.	.	H	α-helix	trans	-50.1	-40.4	175.2	178.5	168.7	164.5	-172.7	-10.5	112.2	D40 I500 W503 S521	D40-R517 PolarHBondContact O-NH2 3.14Å; D40-R517 IonicContact OD1-CZ 2.79Å; D40-R517 IonicContact OD1-NH1 2.69Å; D40-R517 PolarHBondContact OD1-NH1 3.08Å; D40-R517 IonicContact OD1-NH2 2.75Å; D40-R517 PolarHBondContact OD1-NH2 3.27Å; D40-R517 IonicContact OD2-NH1 3.68Å; I500-R517 HydrophobicContact CD1-CG 4.31Å; W503-R517 HydrophobicContact CE3-CB 4.33Å; W503-R517 HydrophobicContact CH2-CB 3.83Å; W503-R517 HydrophobicContact CZ2-CB 4.06Å; W503-R517 VanDerWaalsContact CZ2-N 3.31Å; W503-R517 HydrophobicContact CZ3-CB 3.96Å; R517-S521 VanDerWaalsContact O-CB 3.25Å; R517-S521 WeakPolarHBondContact O-CB 3.45Å; R517-S521 PolarHBondContact O-N 2.85Å; R517-S521 PolarHBondContact O-OG 2.93Å; R517-S521 VanDerWaalsContact O-OG 3.09Å
518	Q	87.1	Confident	90.7	Very high	79 Å²	79	22.3 Å²	22.3	37%	0.369	11%	0.11	S	C	.	.	H	α-helix	trans	-73	-31.8	178.8	-177.5	60.4	115.8	0	0	113.2	T516 N522	T516-Q518 PolarHBondContact O-N 2.98Å; T516-Q518 VanDerWaalsContact O-N 3.11Å; Q518-N522 PolarHBondContact NE2-ND2 3.43Å; Q518-N522 PolarHBondContact O-N 3.16Å; Q518-N522 PolarHBondContact O-ND2 2.59Å
519	E	86.4	Confident	90.6	Very high	7 Å²	7	24.3 Å²	24.3	3%	0.033	12%	0.121	C	C	.	.	H	α-helix	trans	-63.8	-55.5	170.4	-72.5	166.5	170.9	0	0	110	L117 L122 E123 T126 G515 T516 S521 N522 M523	L117-E519 HydrophobicContact CD1-CB 4.45Å; L117-E519 HydrophobicContact CD1-CG 3.89Å; L122-E519 WeakPolarHBondContact CA-OE1 3.43Å; L122-E519 HydrophobicContact CD2-CB 4.33Å; L122-E519 HydrophobicContact CD2-CG 3.83Å; E123-E519 PolarHBondContact N-OE1 3.43Å; E123-E519 VanDerWaalsContact N-OE1 3.12Å; T126-E519 PolarHBondContact OG1-OE2 3.27Å; G515-E519 WeakPolarHBondContact CA-OE2 3.22Å; T516-E519 PolarHBondContact N-OE2 3.09Å; T516-E519 WeakPolarHBondContact O-CA 3.5Å; T516-E519 WeakPolarHBondContact O-CB 3.34Å; T516-E519 PolarHBondContact O-N 2.98Å; T516-E519 WeakPolarHBondContact OG1-CG 3.32Å; T516-E519 PolarHBondContact OG1-N 3.33Å; E519-S521 PolarHBondContact O-N 3.24Å; E519-N522 PolarHBondContact O-N 3.48Å; E519-N522 VanDerWaalsContact O-N 3.12Å; E519-M523 WeakPolarHBondContact O-CB 3.23Å; E519-M523 WeakPolarHBondContact O-CG 3.2Å; E519-M523 PolarHBondContact O-N 3.33Å
520	F	91.5	Very high	90.4	Very high	1 Å²	1	24.8 Å²	24.8	0%	0.004	12%	0.123	C	C	.	.	H	α-helix	trans	-56.2	-45.4	178.5	178.7	-98.1	0	0	0	112.8	L499 I500 W503 L514 T516 N522 M523 F524 E525 L551	L499-F520 HydrophobicContact CB-CE1 3.99Å; L499-F520 HydrophobicContact CB-CZ 4.13Å; L499-F520 WeakPolarHBondContact O-CE1 3.17Å; I500-F520 HydrophobicContact CD1-CD1 4.01Å; I500-F520 HydrophobicContact CD1-CE1 4.17Å; W503-F520 HydrophobicContact CB-CD1 3.78Å; W503-F520 HydrophobicContact CB-CD2 4.45Å; W503-F520 HydrophobicContact CB-CE1 3.74Å; W503-F520 HydrophobicContact CB-CE2 4.41Å; W503-F520 HydrophobicContact CB-CG 4.15Å; W503-F520 HydrophobicContact CB-CZ 4.06Å; W503-F520 AromaticContact CD1-CD1 3.93Å; W503-F520 AromaticContact CD1-CD2 3.78Å; W503-F520 AromaticContact CD1-CG 3.47Å; W503-F520 VanDerWaalsContact CD1-CG 3.47Å; W503-F520 HydrophobicContact CG-CB 4.28Å; W503-F520 AromaticContact CG-CD1 3.93Å; W503-F520 HydrophobicContact CG-CD1 3.93Å; W503-F520 HydrophobicContact CG-CD2 4.42Å; W503-F520 HydrophobicContact CG-CE1 4.38Å; W503-F520 AromaticContact CG-CG 3.95Å; W503-F520 HydrophobicContact CG-CG 3.95Å; L514-F520 HydrophobicContact CB-CD2 4.16Å; L514-F520 HydrophobicContact CD1-CD2 4.04Å; L514-F520 HydrophobicContact CD1-CE2 3.93Å; T516-F520 PolarHBondContact O-N 2.96Å; F520-N522 VanDerWaalsContact C-N 3.26Å; F520-N522 PolarHBondContact O-N 3.34Å; F520-M523 PolarHBondContact O-N 2.92Å; F520-F524 HydrophobicContact CD2-CB 4.19Å; F520-F524 AromaticContact CD2-CD2 3.62Å; F520-F524 HydrophobicContact CD2-CD2 3.62Å; F520-F524 HydrophobicContact CD2-CE2 4.47Å; F520-F524 HydrophobicContact CD2-CG 4.28Å; F520-F524 HydrophobicContact CE2-CB 3.87Å; F520-F524 AromaticContact CE2-CD2 3.9Å; F520-F524 HydrophobicContact CE2-CD2 3.9Å; F520-F524 HydrophobicContact CE2-CG 4.14Å; F520-F524 HydrophobicContact CZ-CB 4.25Å; F520-F524 PolarHBondContact O-N 2.85Å; F520-E525 HydrophobicContact CD1-CB 4.49Å; F520-E525 HydrophobicContact CE1-CB 4.25Å; F520-E525 PolarHBondContact O-N 3.22Å; F520-L551 HydrophobicContact CE2-CD1 4.15Å; F520-L551 HydrophobicContact CE2-CD2 4.16Å; F520-L551 HydrophobicContact CZ-CD2 4.37Å
521	S	90.3	Very high	90.2	Very high	9 Å²	9	24.3 Å²	24.3	6%	0.063	12%	0.121	C	C	.	.	I	π-helix	trans	-57.2	-36.8	178	-79.3	0	0	0	0	113.2	R517 E519 E525 R526	R517-S521 VanDerWaalsContact O-CB 3.25Å; R517-S521 WeakPolarHBondContact O-CB 3.45Å; R517-S521 PolarHBondContact O-N 2.85Å; R517-S521 PolarHBondContact O-OG 2.93Å; R517-S521 VanDerWaalsContact O-OG 3.09Å; E519-S521 PolarHBondContact O-N 3.24Å; S521-E525 WeakPolarHBondContact CA-OE2 3.42Å; S521-E525 WeakPolarHBondContact CB-OE2 3.37Å; S521-E525 PolarHBondContact OG-OE2 2.88Å; S521-R526 VanDerWaalsContact O-CB 3.31Å; S521-R526 WeakPolarHBondContact O-CB 3.41Å; S521-R526 WeakPolarHBondContact O-CD 3.48Å; S521-R526 WeakPolarHBondContact O-CG 3.29Å; S521-R526 PolarHBondContact O-N 2.82Å
522	N	87	Confident	90	Very high	6 Å²	6	22.5 Å²	22.5	3%	0.032	11%	0.108	C	C	.	.	I	π-helix	trans	-84.1	-33.5	178.7	-68.5	-45.9	0	0	0	112.7	Q518 E519 F520 R526 P527	Q518-N522 PolarHBondContact NE2-ND2 3.43Å; Q518-N522 PolarHBondContact O-N 3.16Å; Q518-N522 PolarHBondContact O-ND2 2.59Å; E519-N522 PolarHBondContact O-N 3.48Å; E519-N522 VanDerWaalsContact O-N 3.12Å; F520-N522 VanDerWaalsContact C-N 3.26Å; F520-N522 PolarHBondContact O-N 3.34Å; N522-R526 PolarHBondContact OD1-NH1 2.7Å; N522-P527 WeakPolarHBondContact O-CD 3.5Å; N522-P527 WeakPolarHBondContact O-CG 3.35Å
523	M	86.6	Confident	89.9	Confident	11 Å²	11	20.5 Å²	20.5	5%	0.054	10%	0.099	C	C	.	.	I	π-helix	trans	-85.1	-28.8	-173.8	-70.4	175.6	62.2	0	0	113.8	L116 L122 E519 F520 R547 Y972	L116-M523 HydrophobicContact CD2-CB 4.5Å; L116-M523 HydrophobicContact CD2-CG 3.97Å; L122-M523 HydrophobicContact CD2-SD 4.14Å; E519-M523 WeakPolarHBondContact O-CB 3.23Å; E519-M523 WeakPolarHBondContact O-CG 3.2Å; E519-M523 PolarHBondContact O-N 3.33Å; F520-M523 PolarHBondContact O-N 2.92Å; M523-R547 WeakPolarHBondContact O-CD 3.23Å; M523-R547 PolarHBondContact O-NH1 2.83Å; M523-Y972 HydrophobicContact CE-CE2 3.62Å; M523-Y972 WeakPolarHBondContact CE-OH 3.44Å
524	F	92.7	Very high	89.7	Confident	1 Å²	1	25.4 Å²	25.4	0%	0.004	12%	0.124	C	C	.	.	I	π-helix	trans	-131.8	-58.4	-174.1	-60.6	-75	0	0	0	112.7	F520 P527 I528 V550 L551 L554 Y972	F520-F524 HydrophobicContact CD2-CB 4.19Å; F520-F524 AromaticContact CD2-CD2 3.62Å; F520-F524 HydrophobicContact CD2-CD2 3.62Å; F520-F524 HydrophobicContact CD2-CE2 4.47Å; F520-F524 HydrophobicContact CD2-CG 4.28Å; F520-F524 HydrophobicContact CE2-CB 3.87Å; F520-F524 AromaticContact CE2-CD2 3.9Å; F520-F524 HydrophobicContact CE2-CD2 3.9Å; F520-F524 HydrophobicContact CE2-CG 4.14Å; F520-F524 HydrophobicContact CZ-CB 4.25Å; F520-F524 PolarHBondContact O-N 2.85Å; F524-P527 WeakPolarHBondContact O-CD 3.46Å; F524-I528 HydrophobicContact CB-CD1 4.21Å; F524-I528 VanDerWaalsContact O-CB 3.25Å; F524-I528 WeakPolarHBondContact O-CB 3.37Å; F524-I528 WeakPolarHBondContact O-CD1 3.41Å; F524-I528 WeakPolarHBondContact O-CG1 3.46Å; F524-I528 PolarHBondContact O-N 3.3Å; F524-V550 HydrophobicContact CE1-CG1 4.21Å; F524-L551 HydrophobicContact CB-CD2 4.25Å; F524-L551 HydrophobicContact CD1-CB 3.74Å; F524-L551 HydrophobicContact CD1-CD1 4.21Å; F524-L551 HydrophobicContact CD1-CD2 4.32Å; F524-L551 HydrophobicContact CD1-CG 4.31Å; F524-L551 HydrophobicContact CD2-CD1 4.47Å; F524-L551 HydrophobicContact CE1-CB 3.91Å; F524-L551 HydrophobicContact CE1-CD1 4.29Å; F524-L551 HydrophobicContact CG-CD1 4.29Å; F524-L551 HydrophobicContact CG-CD2 4.34Å; F524-L551 HydrophobicContact CZ-CD1 4.46Å; F524-L554 HydrophobicContact CE1-CD1 4.24Å; F524-L554 HydrophobicContact CZ-CD1 3.65Å; F524-Y972 AromaticContact CE1-CE2 3.94Å; F524-Y972 HydrophobicContact CE1-CE2 3.94Å; F524-Y972 HydrophobicContact CE2-CE2 4.35Å; F524-Y972 HydrophobicContact CZ-CD2 4.49Å; F524-Y972 AromaticContact CZ-CE2 3.51Å; F524-Y972 HydrophobicContact CZ-CE2 3.51Å; F524-Y972 AromaticContact CZ-CZ 3.89Å
525	E	92.5	Very high	89.7	Confident	25 Å²	25	28 Å²	28	12%	0.117	14%	0.138	C	C	.	.	I	π-helix	trans	-56.6	-59.8	-171.4	-171.8	-127.1	120	0	0	112.9	L499 I500 F520 S521 I528 L529	L499-E525 HydrophobicContact CB-CG 4.22Å; I500-E525 HydrophobicContact CD1-CG 4.33Å; F520-E525 HydrophobicContact CD1-CB 4.49Å; F520-E525 HydrophobicContact CE1-CB 4.25Å; F520-E525 PolarHBondContact O-N 3.22Å; S521-E525 WeakPolarHBondContact CA-OE2 3.42Å; S521-E525 WeakPolarHBondContact CB-OE2 3.37Å; S521-E525 PolarHBondContact OG-OE2 2.88Å; E525-I528 PolarHBondContact O-N 3.1Å; E525-L529 HydrophobicContact CG-CD1 3.85Å; E525-L529 WeakPolarHBondContact O-CB 3.35Å; E525-L529 WeakPolarHBondContact O-CG 3.39Å; E525-L529 PolarHBondContact O-N 3.06Å; E525-L529 WeakPolarHBondContact OE1-CD1 3.42Å
526	R	91.4	Very high	89.7	Confident	63 Å²	63	29 Å²	29	24%	0.238	15%	0.145	C	C	.	.	H	α-helix	trans	-63.1	-44.4	-179.4	-68.1	166	178.3	175.1	-5.8	112.8	S521 N522 N530	S521-R526 VanDerWaalsContact O-CB 3.31Å; S521-R526 WeakPolarHBondContact O-CB 3.41Å; S521-R526 WeakPolarHBondContact O-CD 3.48Å; S521-R526 WeakPolarHBondContact O-CG 3.29Å; S521-R526 PolarHBondContact O-N 2.82Å; N522-R526 PolarHBondContact OD1-NH1 2.7Å; R526-N530 VanDerWaalsContact O-CB 3.26Å; R526-N530 WeakPolarHBondContact O-CB 3.5Å; R526-N530 VanDerWaalsContact O-CG 3.29Å; R526-N530 PolarHBondContact O-N 3.2Å; R526-N530 PolarHBondContact O-ND2 2.64Å
527	P	91.2	Very high	89.8	Confident	3 Å²	3	29 Å²	29	2%	0.019	15%	0.145	C	C	.	.	H	α-helix	trans	-57	-43	170.8	-29.2	36.2	0	0	0	114.6	N522 F524 L543 R547	N522-P527 WeakPolarHBondContact O-CD 3.5Å; N522-P527 WeakPolarHBondContact O-CG 3.35Å; F524-P527 WeakPolarHBondContact O-CD 3.46Å; P527-L543 HydrophobicContact CB-CD2 4.09Å; P527-L543 HydrophobicContact CB-CG 4.12Å; P527-R547 HydrophobicContact CB-CB 4.31Å; P527-R547 HydrophobicContact CB-CG 3.9Å
528	I	92.8	Very high	89.9	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-72.1	-47.5	-177.7	-69.6	167.9	0	0	0	110.3	L499 F524 E525 N530 G531 Q532 M544 R547 L551 V888	L499-I528 HydrophobicContact CD1-CB 4.02Å; L499-I528 HydrophobicContact CD1-CD1 4.26Å; L499-I528 HydrophobicContact CD1-CG2 3.85Å; F524-I528 HydrophobicContact CB-CD1 4.21Å; F524-I528 VanDerWaalsContact O-CB 3.25Å; F524-I528 WeakPolarHBondContact O-CB 3.37Å; F524-I528 WeakPolarHBondContact O-CD1 3.41Å; F524-I528 WeakPolarHBondContact O-CG1 3.46Å; F524-I528 PolarHBondContact O-N 3.3Å; E525-I528 PolarHBondContact O-N 3.1Å; I528-N530 PolarHBondContact O-N 2.86Å; I528-G531 PolarHBondContact O-N 3.3Å; I528-Q532 WeakPolarHBondContact O-CG 3.43Å; I528-M544 HydrophobicContact CG2-CG 4.3Å; I528-M544 VanDerWaalsContact O-CG 3.22Å; I528-M544 WeakPolarHBondContact O-CG 3.23Å; I528-R547 HydrophobicContact CD1-CB 4.4Å; I528-R547 HydrophobicContact CG1-CB 4.01Å; I528-L551 HydrophobicContact CD1-CD2 4.29Å; I528-V888 HydrophobicContact CD1-CG2 4.34Å; I528-V888 HydrophobicContact CG2-CG2 4.39Å
529	L	91	Very high	90	Very high	44 Å²	44	33.1 Å²	33.1	23%	0.23	18%	0.176	C	C	.	.	H	α-helix	trans	-61.6	-41.1	178.2	-71.8	172	0	0	0	112.8	E525 G531 Q532 M884	E525-L529 HydrophobicContact CG-CD1 3.85Å; E525-L529 WeakPolarHBondContact O-CB 3.35Å; E525-L529 WeakPolarHBondContact O-CG 3.39Å; E525-L529 PolarHBondContact O-N 3.06Å; E525-L529 WeakPolarHBondContact OE1-CD1 3.42Å; L529-G531 PolarHBondContact O-N 3.38Å; L529-G531 VanDerWaalsContact O-N 3.09Å; L529-Q532 PolarHBondContact O-N 2.86Å; L529-M884 HydrophobicContact CD2-CE 4.43Å; L529-M884 HydrophobicContact CD2-SD 3.94Å
530	N	90.3	Very high	90.3	Very high	15 Å²	15	33.1 Å²	33.1	8%	0.08	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.7	178.8	-85.1	-27.1	0	0	0	113.8	R111 R526 I528 S536 D540	R111-N530 VanDerWaalsContact CB-OD1 3.31Å; R111-N530 WeakPolarHBondContact CB-OD1 3.42Å; R111-N530 WeakPolarHBondContact CG-OD1 3.33Å; R111-N530 PolarHBondContact N-OD1 3.48Å; R111-N530 PolarHBondContact O-ND2 3.29Å; R526-N530 VanDerWaalsContact O-CB 3.26Å; R526-N530 WeakPolarHBondContact O-CB 3.5Å; R526-N530 VanDerWaalsContact O-CG 3.29Å; R526-N530 PolarHBondContact O-N 3.2Å; R526-N530 PolarHBondContact O-ND2 2.64Å; I528-N530 PolarHBondContact O-N 2.86Å; N530-S536 WeakPolarHBondContact O-CB 3.34Å; N530-S536 PolarHBondContact O-OG 3.26Å; N530-D540 HydrophobicContact CB-CB 4.49Å
531	G	90.8	Very high	90.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	6.3	-178.2	0	0	0	0	0	116.1	I528 L529 S536 M544 L896	I528-G531 PolarHBondContact O-N 3.3Å; L529-G531 PolarHBondContact O-N 3.38Å; L529-G531 VanDerWaalsContact O-N 3.09Å; G531-S536 WeakPolarHBondContact CA-OG 3.38Å; G531-M544 WeakPolarHBondContact O-CE 3.34Å; G531-L896 WeakPolarHBondContact O-CD1 3.29Å
532	Q	87.1	Confident	90.3	Very high	18 Å²	18	41.1 Å²	41.1	8%	0.084	21%	0.208	C	C	.	.	S	Bend	trans	-85.1	-9.4	-172.8	-56.1	-168.3	0.9	0	0	115.3	I528 L529 M884	I528-Q532 WeakPolarHBondContact O-CG 3.43Å; L529-Q532 PolarHBondContact O-N 2.86Å; Q532-M884 PolarHBondContact NE2-SD 3.38Å
533	C	88.8	Confident	90.5	Very high	14 Å²	14	42.6 Å²	42.6	10%	0.095	22%	0.215	C	C	.	.	S	Bend	trans	-106.8	153.3	-170.7	-54.7	0	0	0	0	110.9	D535 S536 F898 R900	C533-D535 WeakPolarHBondContact CB-OD1 3.19Å; C533-D535 PolarHBondContact O-N 3.09Å; C533-S536 PolarHBondContact N-OG 3.22Å; C533-S536 WeakPolarHBondContact O-CB 3.13Å; C533-S536 PolarHBondContact O-N 3.49Å; C533-S536 PolarHBondContact O-OG 2.96Å; C533-F898 CarbonylContact C-O 3.51Å; C533-F898 WeakPolarHBondContact CA-O 3.47Å; C533-R900 HydrophobicContact CB-CB 4.02Å; C533-R900 VanDerWaalsContact SG-CA 3.53Å
534	I	88.6	Confident	90.8	Very high	111 Å²	111	42.1 Å²	42.1	57%	0.569	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-20.4	179.4	-160.9	172.6	0	0	0	112.8	F898 T899	I534-F898 PolarHBondContact N-O 2.88Å; I534-T899 HydrophobicContact CG2-CG2 3.49Å; I534-T899 VanDerWaalsContact CG2-CG2 3.49Å
535	D	90.2	Very high	90.8	Very high	65 Å²	65	44.8 Å²	44.8	35%	0.348	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	1.9	172.3	61.7	-43.3	0	0	0	114.1	C533 T899 R900	C533-D535 WeakPolarHBondContact CB-OD1 3.19Å; C533-D535 PolarHBondContact O-N 3.09Å; D535-T899 HydrophobicContact CB-CG2 4.39Å; D535-T899 WeakPolarHBondContact OD1-CA 3.35Å; D535-R900 PolarHBondContact OD1-N 2.8Å
536	S	90.3	Very high	90.8	Very high	24 Å²	24	45.1 Å²	45.1	17%	0.168	22%	0.223	C	C	.	.	S	Bend	trans	-63	143.1	170.8	-69.2	0	0	0	0	111.5	N530 G531 C533	N530-S536 WeakPolarHBondContact O-CB 3.34Å; N530-S536 PolarHBondContact O-OG 3.26Å; G531-S536 WeakPolarHBondContact CA-OG 3.38Å; C533-S536 PolarHBondContact N-OG 3.22Å; C533-S536 WeakPolarHBondContact O-CB 3.13Å; C533-S536 PolarHBondContact O-N 3.49Å; C533-S536 PolarHBondContact O-OG 2.96Å
537	T	91.3	Very high	90.9	Very high	45 Å²	45	42.4 Å²	42.4	28%	0.276	21%	0.213	S	C	.	.			trans	-65.5	149.3	179.3	77.7	0	0	0	0	111.3	Q539 D540 V541	T537-Q539 PolarHBondContact O-N 3.35Å; T537-D540 WeakPolarHBondContact CG2-OD2 3.37Å; T537-D540 PolarHBondContact O-N 3.3Å; T537-D540 PolarHBondContact OG1-N 3.42Å; T537-D540 PolarHBondContact OG1-OD2 3.09Å; T537-V541 WeakPolarHBondContact O-CG2 3.44Å; T537-V541 PolarHBondContact O-N 2.95Å
538	P	90.3	Very high	91	Very high	102 Å²	102	42.4 Å²	42.4	66%	0.662	21%	0.213	S	C	*	.	H	α-helix	trans	-55.8	-27.8	176	-27.3	35.7	0	0	0	113.8	R542	P538-R542 WeakPolarHBondContact O-CB 3.38Å; P538-R542 PolarHBondContact O-N 2.59Å; P538-R542 VanDerWaalsContact O-N 3.08Å
539	Q	89.8	Confident	91	Very high	131 Å²	131	43.4 Å²	43.4	61%	0.612	22%	0.217	S	C	*	.	H	α-helix	trans	-70.9	-45.1	173.5	-64.7	78.5	5.2	0	0	111.8	T537 R542 L543	T537-Q539 PolarHBondContact O-N 3.35Å; Q539-R542 PolarHBondContact O-N 3.25Å; Q539-L543 WeakPolarHBondContact O-CB 3.26Å; Q539-L543 PolarHBondContact O-N 3.4Å
540	D	92.6	Very high	91.1	Very high	7 Å²	7	41.7 Å²	41.7	4%	0.037	21%	0.209	C	C	.	.	H	α-helix	trans	-69.9	-36.1	177.5	-63.7	-52.5	0	0	0	111.7	R110 N530 T537 L543 M544	R110-D540 IonicContact CZ-OD1 2.65Å; R110-D540 IonicContact NE-OD1 2.81Å; R110-D540 PolarHBondContact NE-OD1 3.46Å; R110-D540 IonicContact NE-OD2 2.65Å; R110-D540 PolarHBondContact NE-OD2 3.25Å; R110-D540 IonicContact NH2-OD1 2.75Å; R110-D540 PolarHBondContact NH2-OD1 2.68Å; N530-D540 HydrophobicContact CB-CB 4.49Å; T537-D540 WeakPolarHBondContact CG2-OD2 3.37Å; T537-D540 PolarHBondContact O-N 3.3Å; T537-D540 PolarHBondContact OG1-N 3.42Å; T537-D540 PolarHBondContact OG1-OD2 3.09Å; D540-L543 PolarHBondContact O-N 3.12Å; D540-M544 VanDerWaalsContact O-CB 3.25Å; D540-M544 WeakPolarHBondContact O-CB 3.41Å; D540-M544 PolarHBondContact O-N 3.37Å
541	V	90.8	Very high	91.3	Very high	25 Å²	25	41 Å²	41	15%	0.152	21%	0.205	C	C	.	.	H	α-helix	trans	-63.4	-44.1	171.9	175.8	0	0	0	0	111.4	T537 M544 R545 L896	T537-V541 WeakPolarHBondContact O-CG2 3.44Å; T537-V541 PolarHBondContact O-N 2.95Å; V541-M544 HydrophobicContact CG1-CE 4.18Å; V541-M544 PolarHBondContact O-N 2.9Å; V541-R545 WeakPolarHBondContact O-CG 3.37Å; V541-R545 PolarHBondContact O-N 2.94Å; V541-R545 VanDerWaalsContact O-N 3.09Å; V541-L896 HydrophobicContact CG1-CD1 4.41Å; V541-L896 HydrophobicContact CG2-CD1 4.05Å
542	R	90.9	Very high	91.3	Very high	154 Å²	154	43.1 Å²	43.1	58%	0.581	22%	0.215	S	C	*	.	H	α-helix	trans	-63	-45.7	174.8	-174.8	-175.4	-64.4	-169.3	-2.4	111.3	P538 Q539 M544 R545 Y546	P538-R542 WeakPolarHBondContact O-CB 3.38Å; P538-R542 PolarHBondContact O-N 2.59Å; P538-R542 VanDerWaalsContact O-N 3.08Å; Q539-R542 PolarHBondContact O-N 3.25Å; R542-M544 VanDerWaalsContact C-N 3.34Å; R542-M544 PolarHBondContact O-N 3.22Å; R542-R545 PolarHBondContact O-N 2.75Å; R542-Y546 HydrophobicContact CG-CD1 4.11Å; R542-Y546 HydrophobicContact CG-CE1 3.82Å; R542-Y546 HydrophobicContact CG-CE2 4.46Å; R542-Y546 WeakPolarHBondContact O-CD1 3.44Å; R542-Y546 PolarHBondContact O-N 3.08Å
543	L	91.4	Very high	91.4	Very high	36 Å²	36	44.1 Å²	44.1	19%	0.188	22%	0.224	C	C	.	.	H	α-helix	trans	-62.1	-41.4	178.6	-178.1	64.1	0	0	0	111.5	I113 P527 Q539 D540 Y546 R547	I113-L543 HydrophobicContact CD1-CD2 4.19Å; P527-L543 HydrophobicContact CB-CD2 4.09Å; P527-L543 HydrophobicContact CB-CG 4.12Å; Q539-L543 WeakPolarHBondContact O-CB 3.26Å; Q539-L543 PolarHBondContact O-N 3.4Å; D540-L543 PolarHBondContact O-N 3.12Å; L543-Y546 PolarHBondContact O-N 3.29Å; L543-R547 HydrophobicContact CD1-CG 3.9Å; L543-R547 HydrophobicContact CG-CG 4.25Å; L543-R547 WeakPolarHBondContact O-CB 3.26Å; L543-R547 VanDerWaalsContact O-CG 3.31Å; L543-R547 WeakPolarHBondContact O-CG 3.34Å; L543-R547 PolarHBondContact O-N 2.85Å
544	M	93	Very high	91.5	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-58.4	-46.7	173.7	168	-80.5	-78.2	0	0	111.6	I528 G531 D540 V541 R542 R547 S548 R887 L896	I528-M544 HydrophobicContact CG2-CG 4.3Å; I528-M544 VanDerWaalsContact O-CG 3.22Å; I528-M544 WeakPolarHBondContact O-CG 3.23Å; G531-M544 WeakPolarHBondContact O-CE 3.34Å; D540-M544 VanDerWaalsContact O-CB 3.25Å; D540-M544 WeakPolarHBondContact O-CB 3.41Å; D540-M544 PolarHBondContact O-N 3.37Å; V541-M544 HydrophobicContact CG1-CE 4.18Å; V541-M544 PolarHBondContact O-N 2.9Å; R542-M544 VanDerWaalsContact C-N 3.34Å; R542-M544 PolarHBondContact O-N 3.22Å; M544-R547 PolarHBondContact O-N 2.86Å; M544-S548 WeakPolarHBondContact O-CB 3.35Å; M544-S548 PolarHBondContact O-N 2.98Å; M544-S548 PolarHBondContact O-OG 3.37Å; M544-R887 WeakPolarHBondContact SD-CD 3.5Å; M544-L896 HydrophobicContact CE-CD2 4.28Å
545	R	91.7	Very high	91.7	Very high	57 Å²	57	40.6 Å²	40.6	22%	0.215	21%	0.205	C	C	.	.	H	α-helix	trans	-62.3	-47.7	176	-67.4	-175.6	-169.1	-170.1	1.9	111.5	V541 R542 R547 S548 H549 H958 L960	V541-R545 WeakPolarHBondContact O-CG 3.37Å; V541-R545 PolarHBondContact O-N 2.94Å; V541-R545 VanDerWaalsContact O-N 3.09Å; R542-R545 PolarHBondContact O-N 2.75Å; R545-R547 PolarHBondContact O-N 2.98Å; R545-S548 PolarHBondContact O-N 3.32Å; R545-H549 WeakPolarHBondContact O-CB 3.11Å; R545-H549 PolarHBondContact O-N 3.24Å; R545-H958 VanDerWaalsContact NH1-CB 3.34Å; R545-H958 PolarHBondContact NH1-O 3.26Å; R545-H958 PolarHBondContact NH2-CD2 3.02Å; R545-L960 HydrophobicContact CB-CD1 4.48Å; R545-L960 HydrophobicContact CB-CD2 4.07Å; R545-L960 HydrophobicContact CB-CG 4.48Å
546	Y	93.4	Very high	91.6	Very high	32 Å²	32	41.6 Å²	41.6	13%	0.125	21%	0.208	C	C	.	.	H	α-helix	trans	-59.3	-45.7	179.2	-79.5	21.5	0	0	0	111.5	R542 L543 V550 L960 E964 A968	R542-Y546 HydrophobicContact CG-CD1 4.11Å; R542-Y546 HydrophobicContact CG-CE1 3.82Å; R542-Y546 HydrophobicContact CG-CE2 4.46Å; R542-Y546 WeakPolarHBondContact O-CD1 3.44Å; R542-Y546 PolarHBondContact O-N 3.08Å; L543-Y546 PolarHBondContact O-N 3.29Å; Y546-V550 WeakPolarHBondContact O-CB 3.37Å; Y546-V550 VanDerWaalsContact O-CG2 3.26Å; Y546-V550 WeakPolarHBondContact O-CG2 3.36Å; Y546-V550 PolarHBondContact O-N 2.93Å; Y546-L960 HydrophobicContact CD1-CD1 4.05Å; Y546-L960 HydrophobicContact CD1-CD2 4.06Å; Y546-L960 HydrophobicContact CE1-CD2 3.99Å; Y546-E964 HydrophobicContact CE1-CB 4.26Å; Y546-A968 HydrophobicContact CD1-CB 3.9Å; Y546-A968 HydrophobicContact CD2-CB 3.81Å; Y546-A968 HydrophobicContact CE1-CB 4.45Å; Y546-A968 HydrophobicContact CE2-CB 4.37Å; Y546-A968 HydrophobicContact CG-CB 3.53Å
547	R	93.5	Very high	91.4	Very high	6 Å²	6	41.3 Å²	41.3	2%	0.023	21%	0.209	C	C	.	.	H	α-helix	trans	-74.1	-32.1	-179.4	-66.6	-62.8	-177	137.9	-15.3	113.3	M523 P527 I528 L543 M544 R545 L551 D975	M523-R547 WeakPolarHBondContact O-CD 3.23Å; M523-R547 PolarHBondContact O-NH1 2.83Å; P527-R547 HydrophobicContact CB-CB 4.31Å; P527-R547 HydrophobicContact CB-CG 3.9Å; I528-R547 HydrophobicContact CD1-CB 4.4Å; I528-R547 HydrophobicContact CG1-CB 4.01Å; L543-R547 HydrophobicContact CD1-CG 3.9Å; L543-R547 HydrophobicContact CG-CG 4.25Å; L543-R547 WeakPolarHBondContact O-CB 3.26Å; L543-R547 VanDerWaalsContact O-CG 3.31Å; L543-R547 WeakPolarHBondContact O-CG 3.34Å; L543-R547 PolarHBondContact O-N 2.85Å; M544-R547 PolarHBondContact O-N 2.86Å; R545-R547 PolarHBondContact O-N 2.98Å; R547-L551 WeakPolarHBondContact O-CB 3.4Å; R547-L551 PolarHBondContact O-N 2.79Å; R547-D975 IonicContact CZ-OD2 2.76Å; R547-D975 VanDerWaalsContact NH2-CG 3.33Å; R547-D975 IonicContact NH2-OD2 3.2Å; R547-D975 PolarHBondContact NH2-OD2 3.5Å
548	S	93	Very high	91.6	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.014	20%	0.196	C	C	.	.	H	α-helix	trans	-63.6	-50.6	172	-54.5	0	0	0	0	110.7	M544 R545 V550 L551 H552	M544-S548 WeakPolarHBondContact O-CB 3.35Å; M544-S548 PolarHBondContact O-N 2.98Å; M544-S548 PolarHBondContact O-OG 3.37Å; R545-S548 PolarHBondContact O-N 3.32Å; S548-V550 PolarHBondContact O-N 3.27Å; S548-L551 PolarHBondContact O-N 2.79Å; S548-H552 PolarHBondContact O-N 3.31Å
549	H	92.5	Very high	91.8	Very high	21 Å²	21	35.1 Å²	35.1	10%	0.097	17%	0.169	C	C	.	.	H	α-helix	trans	-63.7	-39.1	179.5	177.2	55.7	0	0	0	112.8	R545 S553 D891 L960 K965	R545-H549 WeakPolarHBondContact O-CB 3.11Å; R545-H549 PolarHBondContact O-N 3.24Å; H549-S553 PolarHBondContact CE1-OG 3.08Å; H549-S553 VanDerWaalsContact CE1-OG 3.28Å; H549-S553 WeakPolarHBondContact O-CB 3.1Å; H549-S553 PolarHBondContact O-N 3.24Å; H549-S553 PolarHBondContact O-OG 2.93Å; H549-D891 IonicContact ND1-OD1 3.13Å; H549-L960 HydrophobicContact CB-CD1 3.73Å; H549-K965 VanDerWaalsContact CE1-CD 3.49Å; H549-K965 WeakPolarHBondContact CE1-CD 3.42Å; H549-K965 VanDerWaalsContact CE1-CE 3.47Å; H549-K965 WeakPolarHBondContact CE1-CE 3.4Å; H549-K965 WeakPolarHBondContact NE2-CD 3.5Å; H549-K965 WeakPolarHBondContact NE2-CG 3.13Å
550	V	92.8	Very high	92	Very high	8 Å²	8	29.1 Å²	29.1	5%	0.048	14%	0.141	C	C	.	.	H	α-helix	trans	-66.1	-40.7	174.3	169.9	0	0	0	0	111.7	F524 Y546 S548 S553 L554 A968 Y972	F524-V550 HydrophobicContact CE1-CG1 4.21Å; Y546-V550 WeakPolarHBondContact O-CB 3.37Å; Y546-V550 VanDerWaalsContact O-CG2 3.26Å; Y546-V550 WeakPolarHBondContact O-CG2 3.36Å; Y546-V550 PolarHBondContact O-N 2.93Å; S548-V550 PolarHBondContact O-N 3.27Å; V550-S553 PolarHBondContact O-N 3.01Å; V550-L554 HydrophobicContact CG1-CD1 3.89Å; V550-L554 HydrophobicContact CG1-CG 4.34Å; V550-L554 VanDerWaalsContact O-CG 3.29Å; V550-L554 WeakPolarHBondContact O-CG 3.26Å; V550-L554 PolarHBondContact O-N 3.32Å; V550-A968 HydrophobicContact CG2-CB 4.19Å; V550-Y972 HydrophobicContact CG1-CD1 3.88Å; V550-Y972 HydrophobicContact CG1-CD2 3.71Å; V550-Y972 HydrophobicContact CG1-CE1 4.19Å; V550-Y972 HydrophobicContact CG1-CE2 4.04Å; V550-Y972 HydrophobicContact CG1-CG 3.63Å
551	L	93.9	Very high	92	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.4	-46.9	176.1	-177.7	54.5	0	0	0	111.3	L514 F520 F524 I528 R547 S548 S553 L554 L555 V888	L514-L551 HydrophobicContact CD1-CD1 4.41Å; L514-L551 HydrophobicContact CD2-CD1 3.91Å; F520-L551 HydrophobicContact CE2-CD1 4.15Å; F520-L551 HydrophobicContact CE2-CD2 4.16Å; F520-L551 HydrophobicContact CZ-CD2 4.37Å; F524-L551 HydrophobicContact CB-CD2 4.25Å; F524-L551 HydrophobicContact CD1-CB 3.74Å; F524-L551 HydrophobicContact CD1-CD1 4.21Å; F524-L551 HydrophobicContact CD1-CD2 4.32Å; F524-L551 HydrophobicContact CD1-CG 4.31Å; F524-L551 HydrophobicContact CD2-CD1 4.47Å; F524-L551 HydrophobicContact CE1-CB 3.91Å; F524-L551 HydrophobicContact CE1-CD1 4.29Å; F524-L551 HydrophobicContact CG-CD1 4.29Å; F524-L551 HydrophobicContact CG-CD2 4.34Å; F524-L551 HydrophobicContact CZ-CD1 4.46Å; I528-L551 HydrophobicContact CD1-CD2 4.29Å; R547-L551 WeakPolarHBondContact O-CB 3.4Å; R547-L551 PolarHBondContact O-N 2.79Å; S548-L551 PolarHBondContact O-N 2.79Å; L551-S553 PolarHBondContact O-N 2.92Å; L551-L554 PolarHBondContact O-N 3.28Å; L551-L555 HydrophobicContact CD1-CD1 3.95Å; L551-L555 HydrophobicContact CD1-CG 4.3Å; L551-L555 HydrophobicContact CG-CD1 4.18Å; L551-L555 WeakPolarHBondContact O-CG 3.35Å; L551-L555 PolarHBondContact O-N 2.66Å; L551-V888 HydrophobicContact CD2-CG1 3.74Å; L551-V888 HydrophobicContact CG-CG1 4.34Å
552	H	90.9	Very high	92	Very high	46 Å²	46	32 Å²	32	21%	0.213	15%	0.149	C	C	.	.	H	α-helix	trans	-55.4	-50.8	173.8	-176.5	-79.3	0	0	0	111.5	S548 L554 L555 E556	S548-H552 PolarHBondContact O-N 3.31Å; H552-L554 VanDerWaalsContact C-N 3.26Å; H552-L554 PolarHBondContact O-N 3.24Å; H552-L555 PolarHBondContact O-N 3.09Å; H552-L555 VanDerWaalsContact O-N 3.11Å; H552-E556 WeakPolarHBondContact O-CB 3.45Å; H552-E556 PolarHBondContact O-N 2.86Å
553	S	90	Very high	91.6	Very high	39 Å²	39	25.5 Å²	25.5	27%	0.273	13%	0.129	S	C	.	.	H	α-helix	trans	-64	-24.8	-178.8	-52.4	0	0	0	0	114.2	H549 V550 L551	H549-S553 PolarHBondContact CE1-OG 3.08Å; H549-S553 VanDerWaalsContact CE1-OG 3.28Å; H549-S553 WeakPolarHBondContact O-CB 3.1Å; H549-S553 PolarHBondContact O-N 3.24Å; H549-S553 PolarHBondContact O-OG 2.93Å; V550-S553 PolarHBondContact O-N 3.01Å; L551-S553 PolarHBondContact O-N 2.92Å
554	L	91.4	Very high	91	Very high	46 Å²	46	26.3 Å²	26.3	24%	0.241	13%	0.132	C	C	.	.	H	α-helix	trans	-77	-34.9	174.7	-74.2	166.9	0	0	0	112	R137 F524 V550 L551 H552 Y972	R137-L554 PolarHBondContact NH2-O 3.48Å; F524-L554 HydrophobicContact CE1-CD1 4.24Å; F524-L554 HydrophobicContact CZ-CD1 3.65Å; V550-L554 HydrophobicContact CG1-CD1 3.89Å; V550-L554 HydrophobicContact CG1-CG 4.34Å; V550-L554 VanDerWaalsContact O-CG 3.29Å; V550-L554 WeakPolarHBondContact O-CG 3.26Å; V550-L554 PolarHBondContact O-N 3.32Å; L551-L554 PolarHBondContact O-N 3.28Å; H552-L554 VanDerWaalsContact C-N 3.26Å; H552-L554 PolarHBondContact O-N 3.24Å; L554-Y972 HydrophobicContact CD1-CE1 4.27Å
555	L	92.5	Very high	90.4	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.021	16%	0.16	C	C	.	.	H	α-helix	trans	-85.2	-28.2	-177.4	-62.5	177.3	0	0	0	113	Y502 V506 F513 L514 L551 H552 G557 F558 V559	Y502-L555 HydrophobicContact CD1-CD1 4.42Å; Y502-L555 HydrophobicContact CE1-CD1 3.46Å; Y502-L555 VanDerWaalsContact CE1-CD1 3.46Å; Y502-L555 WeakPolarHBondContact OH-CD1 3.48Å; V506-L555 HydrophobicContact CG1-CD2 3.94Å; V506-L555 HydrophobicContact CG2-CD1 4.44Å; V506-L555 HydrophobicContact CG2-CD2 3.94Å; F513-L555 HydrophobicContact CE1-CD2 4.37Å; L514-L555 HydrophobicContact CD1-CD2 4.31Å; L514-L555 HydrophobicContact CD2-CD2 4.07Å; L514-L555 HydrophobicContact CG-CD2 4.4Å; L551-L555 HydrophobicContact CD1-CD1 3.95Å; L551-L555 HydrophobicContact CD1-CG 4.3Å; L551-L555 HydrophobicContact CG-CD1 4.18Å; L551-L555 WeakPolarHBondContact O-CG 3.35Å; L551-L555 PolarHBondContact O-N 2.66Å; H552-L555 PolarHBondContact O-N 3.09Å; H552-L555 VanDerWaalsContact O-N 3.11Å; L555-G557 PolarHBondContact O-N 3.3Å; L555-F558 HydrophobicContact CD2-CE1 4.26Å; L555-F558 HydrophobicContact CD2-CE2 4.04Å; L555-F558 HydrophobicContact CD2-CZ 3.47Å; L555-F558 VanDerWaalsContact CD2-CZ 3.47Å; L555-F558 PolarHBondContact O-N 2.95Å; L555-F558 VanDerWaalsContact O-N 3.14Å; L555-V559 HydrophobicContact CB-CB 4.26Å; L555-V559 HydrophobicContact CB-CG2 3.86Å; L555-V559 HydrophobicContact CD2-CG2 4.47Å; L555-V559 PolarHBondContact O-N 2.94Å
556	E	86.9	Confident	89.9	Confident	86 Å²	86	28.5 Å²	28.5	40%	0.402	15%	0.152	S	C	.	.	B	Isolated β-bridge	trans	-48	118.1	173.1	-179	171.2	-130	0	0	111.9	R137 H552	R137-E556 PolarHBondContact NH1-O 3.43Å; R137-E556 PolarHBondContact NH2-O 3.47Å; R137-E556 VanDerWaalsContact NH2-O 3.1Å; H552-E556 WeakPolarHBondContact O-CB 3.45Å; H552-E556 PolarHBondContact O-N 2.86Å
557	G	87.2	Confident	89	Confident	19 Å²	19	27 Å²	27	20%	0.196	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.7	-15	-179.6	0	0	0	0	0	115.5	R136 N285 L555	R136-G557 PolarHBondContact NH2-O 3.29Å; N285-G557 PolarHBondContact ND2-O 2.92Å; N285-G557 PolarHBondContact OD1-O 2.75Å; L555-G557 PolarHBondContact O-N 3.3Å
558	F	94.3	Very high	88.2	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.6	-3.2	160.7	74.5	-93.8	0	0	0	113.5	E133 F281 N285 C301 I302 V506 R510 F513 L555	E133-F558 HydrophobicContact CG-CD1 4.37Å; F281-F558 VanDerWaalsContact CZ-C 3.5Å; F281-F558 WeakPolarHBondContact CZ-O 3.26Å; N285-F558 VanDerWaalsContact OD1-CB 3.31Å; N285-F558 WeakPolarHBondContact OD1-CB 3.49Å; C301-F558 CarbonylContact C-O 3.58Å; C301-F558 VanDerWaalsContact CA-O 3.23Å; C301-F558 WeakPolarHBondContact CA-O 3.17Å; C301-F558 VanDerWaalsContact CB-O 3.27Å; C301-F558 WeakPolarHBondContact CB-O 3.41Å; I302-F558 PolarHBondContact N-O 2.75Å; V506-F558 HydrophobicContact CG1-CE2 4.08Å; V506-F558 HydrophobicContact CG1-CZ 4.19Å; R510-F558 HydrophobicContact CB-CE2 4.18Å; R510-F558 HydrophobicContact CB-CZ 4.38Å; R510-F558 HydrophobicContact CG-CD1 4.49Å; R510-F558 HydrophobicContact CG-CD2 3.79Å; R510-F558 HydrophobicContact CG-CE1 4.35Å; R510-F558 HydrophobicContact CG-CE2 3.64Å; R510-F558 HydrophobicContact CG-CG 4.22Å; R510-F558 HydrophobicContact CG-CZ 3.92Å; F513-F558 AromaticContact CD1-CE1 3.91Å; F513-F558 HydrophobicContact CD1-CE1 3.91Å; F513-F558 AromaticContact CD1-CZ 3.63Å; F513-F558 HydrophobicContact CD1-CZ 3.63Å; F513-F558 AromaticContact CE1-CE1 3.49Å; F513-F558 HydrophobicContact CE1-CE1 3.49Å; F513-F558 VanDerWaalsContact CE1-CE1 3.49Å; F513-F558 AromaticContact CE1-CZ 3.59Å; F513-F558 HydrophobicContact CE1-CZ 3.59Å; F513-F558 HydrophobicContact CE2-CE1 4.4Å; F513-F558 HydrophobicContact CG-CZ 4.4Å; F513-F558 AromaticContact CZ-CE1 3.76Å; F513-F558 HydrophobicContact CZ-CE1 3.76Å; F513-F558 HydrophobicContact CZ-CZ 4.32Å; L555-F558 HydrophobicContact CD2-CE1 4.26Å; L555-F558 HydrophobicContact CD2-CE2 4.04Å; L555-F558 HydrophobicContact CD2-CZ 3.47Å; L555-F558 VanDerWaalsContact CD2-CZ 3.47Å; L555-F558 PolarHBondContact O-N 2.95Å; L555-F558 VanDerWaalsContact O-N 3.14Å
559	V	94.9	Very high	87.4	Confident	16 Å²	16	38 Å²	38	10%	0.097	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	132.6	156.7	-175.7	0	0	0	0	108.2	I302 A304 L555	I302-V559 HydrophobicContact CB-CB 4.45Å; I302-V559 HydrophobicContact CB-CG1 4.18Å; I302-V559 HydrophobicContact CB-CG2 4.09Å; I302-V559 HydrophobicContact CD1-CG2 4.03Å; I302-V559 HydrophobicContact CG1-CG2 4.23Å; I302-V559 HydrophobicContact CG2-CG1 4.45Å; I302-V559 WeakPolarHBondContact O-CA 3.46Å; A304-V559 HydrophobicContact CB-CG1 4.23Å; L555-V559 HydrophobicContact CB-CB 4.26Å; L555-V559 HydrophobicContact CB-CG2 3.86Å; L555-V559 HydrophobicContact CD2-CG2 4.47Å; L555-V559 PolarHBondContact O-N 2.94Å
560	Q	94.3	Very high	86.7	Confident	6 Å²	6	42.4 Å²	42.4	3%	0.028	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	122.1	172.9	-170.8	-174.3	30.7	0	0	109.7	H234 G277 F281 I302 L303 A304 H305	H234-Q560 PolarHBondContact O-NE2 3.33Å; G277-Q560 PolarHBondContact O-NE2 2.91Å; F281-Q560 VanDerWaalsContact CB-OE1 3.26Å; F281-Q560 HydrophobicContact CD1-CB 3.7Å; F281-Q560 HydrophobicContact CD1-CG 4.43Å; F281-Q560 HydrophobicContact CD2-CB 3.85Å; F281-Q560 HydrophobicContact CD2-CG 4.42Å; F281-Q560 HydrophobicContact CE1-CB 3.55Å; F281-Q560 HydrophobicContact CE2-CB 3.7Å; F281-Q560 HydrophobicContact CG-CB 3.83Å; F281-Q560 HydrophobicContact CG-CG 4.27Å; F281-Q560 VanDerWaalsContact CG-OE1 3.26Å; F281-Q560 HydrophobicContact CZ-CB 3.53Å; I302-Q560 PolarHBondContact O-N 2.56Å; L303-Q560 VanDerWaalsContact CD1-OE1 3.29Å; A304-Q560 WeakPolarHBondContact CA-O 3.4Å; A304-Q560 WeakPolarHBondContact CB-O 3.24Å; A304-Q560 PolarHBondContact N-O 3.09Å; H305-Q560 WeakPolarHBondContact NE2-CG 3.45Å; H305-Q560 PolarHBondContact NE2-OE1 3.42Å
561	R	92.8	Very high	86.3	Confident	42 Å²	42	43.1 Å²	43.1	16%	0.158	22%	0.223	C	C	.	.			trans	-112.2	133	179.6	-179.8	58.7	168.5	-173	-11.9	109.9	A304 G492 V889 D890	A304-R561 WeakPolarHBondContact O-CD 3.44Å; A304-R561 PolarHBondContact O-NH1 3.04Å; G492-R561 PolarHBondContact O-NH1 2.96Å; R561-V889 HydrophobicContact CG-CG1 4.1Å; R561-D890 WeakPolarHBondContact CG-OD1 3.42Å; R561-D890 IonicContact CZ-OD1 3.18Å; R561-D890 IonicContact CZ-OD2 3.18Å; R561-D890 VanDerWaalsContact NE-CG 3.31Å; R561-D890 IonicContact NE-OD1 3.31Å; R561-D890 PolarHBondContact NE-OD1 3.49Å; R561-D890 IonicContact NE-OD2 3.46Å; R561-D890 PolarHBondContact NE-OD2 2.63Å; R561-D890 VanDerWaalsContact NE-OD2 3.1Å; R561-D890 IonicContact NH2-OD1 3.38Å; R561-D890 IonicContact NH2-OD2 3.6Å; R561-D890 PolarHBondContact NH2-OD2 2.98Å
562	R	90.2	Very high	86	Confident	50 Å²	50	44.7 Å²	44.7	19%	0.189	23%	0.233	C	C	.	.			trans	-133.2	121.7	166.3	-60.7	-63.3	-76.9	172.1	-4.4	108.1	V235 D237 H305 S306 L309 V566	V235-R562 PolarHBondContact O-NH1 2.93Å; V235-R562 VanDerWaalsContact O-NH1 3.14Å; D237-R562 IonicContact OD1-CZ 3.19Å; D237-R562 IonicContact OD1-NH2 2.63Å; D237-R562 PolarHBondContact OD1-NH2 2.91Å; D237-R562 IonicContact OD2-CZ 3.59Å; D237-R562 IonicContact OD2-NH2 3.47Å; D237-R562 PolarHBondContact OD2-NH2 3.03Å; H305-R562 VanDerWaalsContact NE2-CG 3.27Å; H305-R562 WeakPolarHBondContact NE2-CG 3.44Å; S306-R562 WeakPolarHBondContact CB-O 3.44Å; S306-R562 PolarHBondContact N-O 3.34Å; S306-R562 VanDerWaalsContact N-O 3.08Å; S306-R562 PolarHBondContact OG-O 3.48Å; L309-R562 HydrophobicContact CD1-CB 3.85Å; L309-R562 WeakPolarHBondContact CD1-O 3.42Å; R562-V566 HydrophobicContact CB-CG2 4.49Å
563	G	83.7	Confident	86	Confident	17 Å²	17	45.7 Å²	45.7	18%	0.175	25%	0.249	C	C	.	.			trans	-79.5	171.9	-177.3	0	0	0	0	0	113.6	S306 T565 V566	S306-G563 VanDerWaalsContact OG-CA 3.29Å; S306-G563 WeakPolarHBondContact OG-CA 3.07Å; G563-T565 PolarHBondContact O-N 3.15Å; G563-V566 PolarHBondContact O-N 2.96Å
564	H	77.3	Confident	86	Confident	53 Å²	53	45.8 Å²	45.8	25%	0.245	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-9.8	174.6	-61.3	104.1	0	0	0	114.1	S306 V566 L567 K568	S306-H564 PolarHBondContact OG-N 2.82Å; H564-V566 PolarHBondContact O-N 2.91Å; H564-L567 WeakPolarHBondContact O-CB 3.45Å; H564-L567 PolarHBondContact O-N 3.17Å; H564-K568 PolarHBondContact O-N 3.33Å
565	T	80.5	Confident	86	Confident	98 Å²	98	45.6 Å²	45.6	60%	0.601	24%	0.243	S	C	*	.	H	α-helix	trans	-55.2	-36.5	172.5	45.4	0	0	0	0	112.7	G563 L567 K568	G563-T565 PolarHBondContact O-N 3.15Å; T565-L567 PolarHBondContact O-N 3.4Å; T565-K568 PolarHBondContact O-N 2.69Å; T565-K568 VanDerWaalsContact O-N 3.16Å
566	V	81.6	Confident	86	Confident	8 Å²	8	46.1 Å²	46.1	5%	0.048	25%	0.245	C	C	.	.	H	α-helix	trans	-64.5	-28.8	176.3	-178.9	0	0	0	0	112.1	H274 L309 R562 G563 H564 H570	H274-V566 HydrophobicContact CB-CG1 4.16Å; L309-V566 HydrophobicContact CD2-CB 3.89Å; L309-V566 HydrophobicContact CD2-CG1 3.89Å; R562-V566 HydrophobicContact CB-CG2 4.49Å; G563-V566 PolarHBondContact O-N 2.96Å; H564-V566 PolarHBondContact O-N 2.91Å; V566-H570 PolarHBondContact O-ND1 3.09Å
567	L	75.5	Confident	86.4	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-80.3	-35.6	172.2	-65.1	-179.3	0	0	0	112.6	L309 H564 T565 I569 H570 L571 Y851 Y853	L309-L567 HydrophobicContact CD2-CD2 3.72Å; L309-L567 HydrophobicContact CD2-CG 3.74Å; H564-L567 WeakPolarHBondContact O-CB 3.45Å; H564-L567 PolarHBondContact O-N 3.17Å; T565-L567 PolarHBondContact O-N 3.4Å; L567-I569 PolarHBondContact O-N 3.01Å; L567-H570 PolarHBondContact O-N 3.04Å; L567-L571 HydrophobicContact CB-CD1 3.94Å; L567-L571 HydrophobicContact CB-CG 4.27Å; L567-L571 HydrophobicContact CD1-CD1 4.23Å; L567-L571 HydrophobicContact CD2-CD1 4.25Å; L567-L571 HydrophobicContact CG-CD1 4.37Å; L567-L571 PolarHBondContact O-N 2.58Å; L567-Y851 HydrophobicContact CB-CE1 4.16Å; L567-Y851 HydrophobicContact CD1-CE1 4.45Å; L567-Y853 HydrophobicContact CD2-CD2 4.33Å; L567-Y853 HydrophobicContact CD2-CE1 4.09Å; L567-Y853 HydrophobicContact CD2-CE2 3.74Å
568	K	76.3	Confident	86.7	Confident	105 Å²	105	42 Å²	42	46%	0.457	22%	0.221	S	C	.	.	H	α-helix	trans	-61.6	-13	179.3	-68.8	-170.2	178.6	-171.3	0	113.8	H564 T565 E949	H564-K568 PolarHBondContact O-N 3.33Å; T565-K568 PolarHBondContact O-N 2.69Å; T565-K568 VanDerWaalsContact O-N 3.16Å; K568-E949 IonicContact NZ-OE1 3.53Å; K568-E949 IonicContact NZ-OE2 2.74Å; K568-E949 PolarHBondContact NZ-OE2 2.87Å
569	I	76.5	Confident	86.8	Confident	133 Å²	133	42 Å²	42	68%	0.682	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-28.2	172	-61	168.7	0	0	0	112.2	L567	L567-I569 PolarHBondContact O-N 3.01Å
570	H	77	Confident	86.8	Confident	115 Å²	115	41.5 Å²	41.5	53%	0.532	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-12.7	-165.3	-61.7	105.9	0	0	0	114.8	V566 L567 Y853	V566-H570 PolarHBondContact O-ND1 3.09Å; L567-H570 PolarHBondContact O-N 3.04Å; H570-Y853 HydrophobicContact CB-CE1 4.2Å
571	L	84.1	Confident	86.9	Confident	22 Å²	22	41.2 Å²	41.2	12%	0.115	22%	0.217	C	C	.	.	S	Bend	trans	-111.1	161.7	-179.2	-58.6	-171.4	0	0	0	111.3	L567 Y851 Y853	L567-L571 HydrophobicContact CB-CD1 3.94Å; L567-L571 HydrophobicContact CB-CG 4.27Å; L567-L571 HydrophobicContact CD1-CD1 4.23Å; L567-L571 HydrophobicContact CD2-CD1 4.25Å; L567-L571 HydrophobicContact CG-CD1 4.37Å; L567-L571 PolarHBondContact O-N 2.58Å; L571-Y851 HydrophobicContact CB-CE2 3.9Å; L571-Y851 HydrophobicContact CD1-CD1 4.13Å; L571-Y851 HydrophobicContact CD1-CD2 4.27Å; L571-Y851 HydrophobicContact CD1-CE1 3.89Å; L571-Y851 HydrophobicContact CD1-CE2 4.03Å; L571-Y851 HydrophobicContact CD1-CG 4.32Å; L571-Y853 HydrophobicContact CD2-CD1 4.02Å
572	P	88.7	Confident	87	Confident	33 Å²	33	40.5 Å²	40.5	21%	0.214	21%	0.214	C	C	.	.			trans	-56.4	169.1	168.2	-25	35.9	0	0	0	113.2	Y851 Q855 K857	P572-Y851 WeakPolarHBondContact O-CE2 3.25Å; P572-Y851 PolarHBondContact O-OH 3.46Å; P572-Q855 HydrophobicContact CG-CG 4.45Å; P572-K857 VanDerWaalsContact CB-O 3.28Å; P572-K857 WeakPolarHBondContact CB-O 3.36Å; P572-K857 WeakPolarHBondContact CG-O 3.41Å
573	A	90.3	Very high	87.1	Confident	67 Å²	67	38.8 Å²	38.8	55%	0.554	21%	0.209	S	C	*	.			trans	-63.2	145.9	175.8	0	0	0	0	0	112.2	P858 C859	A573-P858 WeakPolarHBondContact O-CA 3.42Å; A573-C859 PolarHBondContact O-N 3.32Å
574	K	89.9	Confident	87.6	Confident	42 Å²	42	38.9 Å²	38.9	18%	0.183	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.7	169.9	-169.7	-149.7	69.2	165.9	0	109.4	E576 V847 Y851 C859 I861 E949	K574-E576 IonicContact NZ-OE2 3.63Å; K574-E576 PolarHBondContact NZ-OE2 2.64Å; K574-V847 HydrophobicContact CD-CG1 4.34Å; K574-Y851 HydrophobicContact CB-CD2 3.89Å; K574-Y851 HydrophobicContact CB-CE2 3.71Å; K574-Y851 HydrophobicContact CB-CG 4.47Å; K574-Y851 HydrophobicContact CD-CG 4.43Å; K574-Y851 HydrophobicContact CG-CD2 4.18Å; K574-Y851 HydrophobicContact CG-CE2 4.49Å; K574-Y851 HydrophobicContact CG-CG 4.44Å; K574-C859 WeakPolarHBondContact CA-O 3.4Å; K574-C859 HydrophobicContact CB-CB 4.45Å; K574-C859 HydrophobicContact CG-CB 4.13Å; K574-I861 HydrophobicContact CD-CD1 3.78Å; K574-I861 HydrophobicContact CG-CD1 3.43Å; K574-I861 VanDerWaalsContact CG-CD1 3.43Å; K574-E949 WeakPolarHBondContact CE-OE1 3.45Å; K574-E949 IonicContact NZ-OE1 3.13Å; K574-E949 PolarHBondContact NZ-OE1 2.99Å
575	E	91.4	Very high	88.3	Confident	42 Å²	42	41.9 Å²	41.9	20%	0.196	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	130.8	171.9	-64	-180	156.1	0	0	108.7	C859 H860 I861	E575-C859 PolarHBondContact N-O 2.88Å; E575-H860 CarbonylContact O-C 3.57Å; E575-H860 WeakPolarHBondContact O-CA 3.34Å; E575-H860 IonicContact OE2-CE1 2.83Å; E575-H860 PolarHBondContact OE2-CE1 3.32Å; E575-H860 VanDerWaalsContact OE2-CE1 3.3Å; E575-H860 IonicContact OE2-ND1 3.8Å; E575-H860 PolarHBondContact OE2-ND1 2.84Å; E575-I861 WeakPolarHBondContact O-CD1 3.4Å; E575-I861 PolarHBondContact O-N 3.09Å
576	E	93	Very high	89	Confident	15 Å²	15	38.8 Å²	38.8	7%	0.07	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	103.6	-175.9	-177.7	172.4	173.1	0	0	109.4	K574 I861 R863 E947 H948	K574-E576 IonicContact NZ-OE2 3.63Å; K574-E576 PolarHBondContact NZ-OE2 2.64Å; E576-I861 HydrophobicContact CB-CB 4.15Å; E576-I861 HydrophobicContact CB-CD1 4.45Å; E576-I861 HydrophobicContact CG-CB 3.94Å; E576-I861 HydrophobicContact CG-CG2 3.92Å; E576-R863 IonicContact OE1-CZ 3.35Å; E576-R863 VanDerWaalsContact OE1-CZ 3.29Å; E576-R863 IonicContact OE1-NE 2.67Å; E576-R863 PolarHBondContact OE1-NE 2.97Å; E576-R863 IonicContact OE1-NH2 3.7Å; E576-R863 PolarHBondContact OE1-NH2 3.19Å; E576-E947 CarbonylContact O-C 3.58Å; E576-E947 VanDerWaalsContact O-CA 3.26Å; E576-E947 WeakPolarHBondContact O-CA 3.45Å; E576-H948 HydrophobicContact CB-CB 4.37Å; E576-H948 HydrophobicContact CG-CB 3.77Å; E576-H948 PolarHBondContact O-N 2.86Å; E576-H948 IonicContact OE1-CD2 3.05Å; E576-H948 PolarHBondContact OE1-CD2 3.14Å; E576-H948 IonicContact OE1-CG 3.63Å
577	N	94.3	Very high	89.6	Confident	18 Å²	18	38.5 Å²	38.5	10%	0.096	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	139.3	-169.1	-68	-76.1	0	0	0	111.7	I861 Y862 R863 L930	N577-I861 PolarHBondContact N-O 3.25Å; N577-Y862 CarbonylContact O-C 3.47Å; N577-Y862 WeakPolarHBondContact O-CA 3.34Å; N577-R863 PolarHBondContact O-N 2.73Å; N577-L930 HydrophobicContact CB-CD2 3.76Å
578	V	95.3	Very high	90.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.6	177.1	-173.3	0	0	0	0	108.9	L580 R863 V865 Y875 P945 F946 H948	V578-L580 HydrophobicContact CG1-CD2 4.1Å; V578-R863 HydrophobicContact CG2-CB 4.41Å; V578-V865 HydrophobicContact CG1-CG2 4.36Å; V578-Y875 HydrophobicContact CG1-CE1 4.49Å; V578-Y875 HydrophobicContact CG1-CE2 4.47Å; V578-Y875 HydrophobicContact CG2-CE2 4.32Å; V578-Y875 WeakPolarHBondContact CG2-OH 3.34Å; V578-P945 VanDerWaalsContact O-CA 3.3Å; V578-P945 WeakPolarHBondContact O-CA 3.29Å; V578-F946 HydrophobicContact CB-CD1 4.43Å; V578-F946 HydrophobicContact CB-CD2 4.22Å; V578-F946 HydrophobicContact CB-CE1 4Å; V578-F946 HydrophobicContact CB-CE2 3.74Å; V578-F946 HydrophobicContact CB-CZ 3.63Å; V578-F946 HydrophobicContact CG1-CE1 4.06Å; V578-F946 HydrophobicContact CG1-CE2 4.19Å; V578-F946 HydrophobicContact CG1-CZ 3.64Å; V578-F946 HydrophobicContact CG2-CD2 4.28Å; V578-F946 HydrophobicContact CG2-CE2 3.76Å; V578-F946 HydrophobicContact CG2-CZ 4.09Å; V578-F946 PolarHBondContact N-O 2.84Å; V578-F946 PolarHBondContact O-N 2.79Å; V578-H948 HydrophobicContact CG2-CB 3.99Å
579	I	95.6	Very high	91.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	112.6	178.5	-49.4	179.7	0	0	0	107.1	V581 L725 L729 Y862 R863 L864 V865 L930 I941	I579-V581 HydrophobicContact CG2-CG2 4.28Å; I579-V581 PolarHBondContact O-N 2.94Å; I579-L725 HydrophobicContact CG2-CD1 4.22Å; I579-L729 HydrophobicContact CD1-CD1 4.49Å; I579-Y862 HydrophobicContact CD1-CD1 4.42Å; I579-R863 PolarHBondContact N-O 3.23Å; I579-L864 HydrophobicContact CB-CD2 4Å; I579-L864 HydrophobicContact CD1-CD2 3.87Å; I579-L864 HydrophobicContact CG1-CD2 4.34Å; I579-V865 PolarHBondContact O-N 3.17Å; I579-V865 VanDerWaalsContact O-N 3.08Å; I579-L930 HydrophobicContact CD1-CD1 3.52Å; I579-L930 HydrophobicContact CG1-CD1 4Å; I579-I941 HydrophobicContact CG2-CD1 4.21Å; I579-I941 HydrophobicContact CG2-CG1 4.02Å
580	L	95.6	Very high	92	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.026	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	109.8	176	-64.9	-170.9	0	0	0	109.4	V578 V865 D867 K872 I941 T942 K943 F946	V578-L580 HydrophobicContact CG1-CD2 4.1Å; L580-V865 WeakPolarHBondContact CA-O 3.49Å; L580-V865 HydrophobicContact CD2-CB 4.07Å; L580-V865 HydrophobicContact CD2-CG1 4.26Å; L580-D867 HydrophobicContact CB-CB 4.14Å; L580-K872 HydrophobicContact CD2-CD 3.98Å; L580-I941 WeakPolarHBondContact O-CA 3.25Å; L580-T942 VanDerWaalsContact CB-OG1 3.26Å; L580-T942 WeakPolarHBondContact CB-OG1 3.46Å; L580-T942 PolarHBondContact O-N 2.64Å; L580-T942 PolarHBondContact O-OG1 3.04Å; L580-K943 HydrophobicContact CD1-CB 4.27Å; L580-K943 HydrophobicContact CD1-CD 3.81Å; L580-K943 HydrophobicContact CD1-CG 4.07Å; L580-F946 HydrophobicContact CD1-CE1 4.12Å; L580-F946 HydrophobicContact CG-CE1 4.08Å
581	V	95.6	Very high	92.7	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	138.6	-170.7	-172.9	0	0	0	0	110.2	I579 P721 K722 L725 L864 V865 A866 D867	I579-V581 HydrophobicContact CG2-CG2 4.28Å; I579-V581 PolarHBondContact O-N 2.94Å; V581-P721 HydrophobicContact CG1-CB 3.7Å; V581-K722 HydrophobicContact CB-CG 4.24Å; V581-K722 HydrophobicContact CG1-CG 3.92Å; V581-K722 HydrophobicContact CG2-CG 4.42Å; V581-L725 HydrophobicContact CB-CD1 4.38Å; V581-L725 HydrophobicContact CG1-CD1 3.93Å; V581-L725 HydrophobicContact CG2-CD1 3.67Å; V581-L864 HydrophobicContact CG2-CB 4.29Å; V581-L864 HydrophobicContact CG2-CD2 4.38Å; V581-V865 PolarHBondContact N-O 3.13Å; V581-A866 CarbonylContact O-C 3.57Å; V581-A866 WeakPolarHBondContact O-CA 3.24Å; V581-D867 PolarHBondContact O-N 3.38Å
582	R	93.7	Very high	92.9	Very high	26 Å²	26	30.3 Å²	30.3	10%	0.098	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-82.8	138.6	172.5	168.1	162.5	-67.2	-166.5	0.4	111.1	P721 E913 P914 P916 L940 T942	R582-P721 WeakPolarHBondContact O-CB 3.46Å; R582-P721 WeakPolarHBondContact O-CG 3.49Å; R582-E913 IonicContact CZ-OE1 2.73Å; R582-E913 IonicContact CZ-OE2 3.55Å; R582-E913 VanDerWaalsContact NE-CD 3.26Å; R582-E913 IonicContact NE-OE1 3.07Å; R582-E913 PolarHBondContact NE-OE1 3.41Å; R582-E913 IonicContact NE-OE2 3.42Å; R582-E913 PolarHBondContact NE-OE2 3.3Å; R582-E913 IonicContact NH2-OE1 2.6Å; R582-E913 PolarHBondContact NH2-OE1 3.15Å; R582-E913 IonicContact NH2-OE2 2.71Å; R582-P914 PolarHBondContact NH2-O 3.3Å; R582-P916 VanDerWaalsContact NH1-CG 3.29Å; R582-P916 VanDerWaalsContact NH1-N 3.13Å; R582-L940 WeakPolarHBondContact CB-O 3.43Å; R582-L940 PolarHBondContact N-O 3.03Å; R582-T942 HydrophobicContact CB-CG2 3.93Å
583	L	94.1	Very high	92.9	Very high	15 Å²	15	30.6 Å²	30.6	8%	0.079	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-68.9	142.3	166.1	-65.6	-170.9	0	0	0	111.9	Q587 R588 Y591 W622 A866 T869	L583-Q587 HydrophobicContact CB-CB 3.92Å; L583-Q587 HydrophobicContact CD1-CB 4.29Å; L583-Q587 HydrophobicContact CD2-CB 4.13Å; L583-Q587 HydrophobicContact CG-CB 4.33Å; L583-R588 HydrophobicContact CB-CB 4.35Å; L583-R588 PolarHBondContact O-NH2 3.22Å; L583-Y591 HydrophobicContact CD1-CG 4.23Å; L583-W622 HydrophobicContact CD2-CB 3.81Å; L583-A866 HydrophobicContact CD2-CB 3.99Å; L583-T869 HydrophobicContact CD1-CG2 3.66Å; L583-T869 HydrophobicContact CD2-CG2 4.14Å; L583-T869 HydrophobicContact CG-CG2 3.89Å
584	S	94.3	Very high	92.7	Very high	18 Å²	18	27.7 Å²	27.7	13%	0.126	14%	0.135	C	C	.	.			trans	-61.3	174.4	168.3	69.1	0	0	0	0	111.8	I586 Q587 R588 N719	S584-I586 WeakPolarHBondContact OG-CG2 3.47Å; S584-Q587 VanDerWaalsContact N-OE1 3.1Å; S584-Q587 WeakPolarHBondContact OG-CB 3.16Å; S584-Q587 VanDerWaalsContact OG-CG 3.31Å; S584-Q587 WeakPolarHBondContact OG-CG 3.44Å; S584-Q587 PolarHBondContact OG-N 3.26Å; S584-Q587 PolarHBondContact OG-OE1 3.44Å; S584-R588 WeakPolarHBondContact O-CB 3.36Å; S584-R588 PolarHBondContact O-N 2.95Å; S584-N719 VanDerWaalsContact CB-O 3.26Å; S584-N719 WeakPolarHBondContact CB-O 3.32Å; S584-N719 PolarHBondContact OG-O 3.25Å
585	Q	92.2	Very high	92.4	Very high	117 Å²	117	26 Å²	26	55%	0.547	13%	0.128	S	C	.	.	H	α-helix	trans	-63.1	-49.6	176.7	-172.2	56.9	44.4	0	0	111.2	Q587 R588 D589	Q585-Q587 PolarHBondContact O-N 3.45Å; Q585-R588 WeakPolarHBondContact O-CB 3.22Å; Q585-R588 PolarHBondContact O-N 2.85Å; Q585-D589 WeakPolarHBondContact CG-OD2 3.36Å; Q585-D589 PolarHBondContact NE2-OD1 2.67Å; Q585-D589 PolarHBondContact NE2-OD2 3.28Å; Q585-D589 VanDerWaalsContact O-CG 3.23Å; Q585-D589 PolarHBondContact O-N 2.94Å
586	I	93.6	Very high	92	Very high	33 Å²	33	26.5 Å²	26.5	17%	0.169	13%	0.132	C	C	.	.	H	α-helix	trans	-63.8	-43	179.2	-177.8	59.2	0	0	0	112.7	S584 R588 D589 L590 P625 Y712 N719	S584-I586 WeakPolarHBondContact OG-CG2 3.47Å; I586-R588 VanDerWaalsContact C-N 3.3Å; I586-R588 PolarHBondContact O-N 3.2Å; I586-D589 PolarHBondContact O-N 3.49Å; I586-L590 HydrophobicContact CD1-CD1 4.1Å; I586-L590 HydrophobicContact CD1-CG 4.2Å; I586-L590 HydrophobicContact CG1-CD1 3.97Å; I586-L590 WeakPolarHBondContact O-CB 3.22Å; I586-L590 WeakPolarHBondContact O-CD1 3.29Å; I586-L590 WeakPolarHBondContact O-CG 3.24Å; I586-L590 PolarHBondContact O-N 3.26Å; I586-P625 HydrophobicContact CG2-CG 4.06Å; I586-Y712 HydrophobicContact CG1-CD2 4.02Å; I586-Y712 HydrophobicContact CG1-CE2 3.9Å; I586-Y712 HydrophobicContact CG2-CE2 4.19Å; I586-N719 HydrophobicContact CG2-CB 4.46Å
587	Q	95	Very high	91.2	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-60	-41	175.1	-76.1	-178.1	-49.7	0	0	112.3	L583 S584 Q585 Y591 I621 W622 P625 S720	L583-Q587 HydrophobicContact CB-CB 3.92Å; L583-Q587 HydrophobicContact CD1-CB 4.29Å; L583-Q587 HydrophobicContact CD2-CB 4.13Å; L583-Q587 HydrophobicContact CG-CB 4.33Å; S584-Q587 VanDerWaalsContact N-OE1 3.1Å; S584-Q587 WeakPolarHBondContact OG-CB 3.16Å; S584-Q587 VanDerWaalsContact OG-CG 3.31Å; S584-Q587 WeakPolarHBondContact OG-CG 3.44Å; S584-Q587 PolarHBondContact OG-N 3.26Å; S584-Q587 PolarHBondContact OG-OE1 3.44Å; Q585-Q587 PolarHBondContact O-N 3.45Å; Q587-Y591 WeakPolarHBondContact O-CB 3.27Å; Q587-Y591 PolarHBondContact O-N 3.12Å; Q587-I621 HydrophobicContact CB-CG2 4.41Å; Q587-I621 WeakPolarHBondContact CG-O 3.36Å; Q587-I621 PolarHBondContact NE2-O 3.1Å; Q587-I621 WeakPolarHBondContact O-CG2 3.25Å; Q587-W622 VanDerWaalsContact NE2-C 3.34Å; Q587-W622 PolarHBondContact NE2-O 3.4Å; Q587-P625 HydrophobicContact CG-CG 3.57Å; Q587-S720 PolarHBondContact NE2-OG 3.28Å
588	R	92.3	Very high	90.1	Very high	65 Å²	65	31.1 Å²	31.1	25%	0.245	15%	0.147	C	C	.	.	H	α-helix	trans	-66.7	-45	177.8	175.5	-163.9	-47.6	-95.5	-16.7	111.5	L583 S584 Q585 I586 Y591 T592 E913	L583-R588 HydrophobicContact CB-CB 4.35Å; L583-R588 PolarHBondContact O-NH2 3.22Å; S584-R588 WeakPolarHBondContact O-CB 3.36Å; S584-R588 PolarHBondContact O-N 2.95Å; Q585-R588 WeakPolarHBondContact O-CB 3.22Å; Q585-R588 PolarHBondContact O-N 2.85Å; I586-R588 VanDerWaalsContact C-N 3.3Å; I586-R588 PolarHBondContact O-N 3.2Å; R588-Y591 PolarHBondContact O-N 3.36Å; R588-T592 VanDerWaalsContact O-CB 3.24Å; R588-T592 WeakPolarHBondContact O-CB 3.49Å; R588-T592 PolarHBondContact O-N 3.05Å; R588-T592 PolarHBondContact O-OG1 3.2Å; R588-E913 IonicContact CZ-OE2 3.67Å; R588-E913 IonicContact NH1-OE2 2.74Å; R588-E913 PolarHBondContact NH1-OE2 3.25Å; R588-E913 IonicContact NH2-OE2 2.66Å; R588-E913 PolarHBondContact NH2-OE2 2.8Å
589	D	92.2	Very high	89	Confident	61 Å²	61	36.4 Å²	36.4	33%	0.326	17%	0.167	S	C	.	.	H	α-helix	trans	-65.7	-41.3	-179.1	-65.6	-29.7	0	0	0	110.9	Q585 I586 Q593 L708	Q585-D589 WeakPolarHBondContact CG-OD2 3.36Å; Q585-D589 PolarHBondContact NE2-OD1 2.67Å; Q585-D589 PolarHBondContact NE2-OD2 3.28Å; Q585-D589 VanDerWaalsContact O-CG 3.23Å; Q585-D589 PolarHBondContact O-N 2.94Å; I586-D589 PolarHBondContact O-N 3.49Å; D589-Q593 VanDerWaalsContact O-CB 3.3Å; D589-Q593 WeakPolarHBondContact O-CB 3.13Å; D589-Q593 PolarHBondContact O-N 2.91Å; D589-L708 HydrophobicContact CB-CD1 4.2Å
590	L	93.1	Very high	87.9	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.9	-52.7	170.7	-71.5	163.3	0	0	0	112.1	I586 T592 Q593 F594 I621 P625 L628 W704 A705 L708 L709	I586-L590 HydrophobicContact CD1-CD1 4.1Å; I586-L590 HydrophobicContact CD1-CG 4.2Å; I586-L590 HydrophobicContact CG1-CD1 3.97Å; I586-L590 WeakPolarHBondContact O-CB 3.22Å; I586-L590 WeakPolarHBondContact O-CD1 3.29Å; I586-L590 WeakPolarHBondContact O-CG 3.24Å; I586-L590 PolarHBondContact O-N 3.26Å; L590-T592 VanDerWaalsContact C-N 3.33Å; L590-T592 PolarHBondContact O-N 3.13Å; L590-Q593 PolarHBondContact O-N 2.78Å; L590-F594 WeakPolarHBondContact O-CB 3.45Å; L590-F594 PolarHBondContact O-N 2.8Å; L590-I621 HydrophobicContact CB-CD1 4.37Å; L590-I621 HydrophobicContact CB-CG1 4.37Å; L590-I621 HydrophobicContact CB-CG2 4.11Å; L590-P625 HydrophobicContact CD1-CB 3.77Å; L590-P625 HydrophobicContact CD1-CG 4.42Å; L590-L628 HydrophobicContact CD1-CD2 4.32Å; L590-L628 HydrophobicContact CD2-CD2 4.02Å; L590-W704 HydrophobicContact CB-CH2 4.4Å; L590-W704 HydrophobicContact CB-CZ3 4.42Å; L590-W704 HydrophobicContact CD2-CH2 4.15Å; L590-W704 HydrophobicContact CD2-CZ3 3.96Å; L590-W704 WeakPolarHBondContact O-CZ3 3.37Å; L590-A705 HydrophobicContact CD2-CB 3.88Å; L590-L708 HydrophobicContact CD2-CB 4Å; L590-L708 HydrophobicContact CD2-CD1 3.95Å; L590-L708 HydrophobicContact CG-CD1 4.2Å; L590-L709 HydrophobicContact CD1-CD2 4.23Å; L590-L709 HydrophobicContact CD2-CD1 4.44Å; L590-L709 HydrophobicContact CD2-CD2 4.4Å; L590-L709 HydrophobicContact CD2-CG 4.2Å
591	Y	91.7	Very high	86.4	Confident	13 Å²	13	45.1 Å²	45.1	5%	0.051	22%	0.219	C	C	.	.	H	α-helix	trans	-61.5	-40.5	-179	-177.4	-95.1	0	0	0	112.1	L583 Q587 R588 M595 C618 W622 T869 L870	L583-Y591 HydrophobicContact CD1-CG 4.23Å; Q587-Y591 WeakPolarHBondContact O-CB 3.27Å; Q587-Y591 PolarHBondContact O-N 3.12Å; R588-Y591 PolarHBondContact O-N 3.36Å; Y591-M595 HydrophobicContact CD1-CG 4.15Å; Y591-M595 HydrophobicContact CE1-CG 3.78Å; Y591-M595 HydrophobicContact CE2-CE 3.84Å; Y591-M595 HydrophobicContact CE2-CG 4.28Å; Y591-M595 VanDerWaalsContact O-CB 3.29Å; Y591-M595 WeakPolarHBondContact O-CB 3.46Å; Y591-M595 WeakPolarHBondContact O-CG 3.46Å; Y591-M595 PolarHBondContact O-N 2.88Å; Y591-C618 HydrophobicContact CE2-CB 4.34Å; Y591-W622 HydrophobicContact CE2-CE3 4.33Å; Y591-W622 HydrophobicContact CE2-CZ3 4.32Å; Y591-T869 HydrophobicContact CE2-CG2 4.47Å; Y591-T869 WeakPolarHBondContact OH-CA 3.31Å; Y591-L870 PolarHBondContact OH-N 3.26Å
592	T	89.2	Confident	84.8	Confident	65 Å²	65	47 Å²	47	40%	0.399	24%	0.238	S	C	.	.	H	α-helix	trans	-68.7	-44.2	175.5	-70.7	0	0	0	0	111.5	R588 L590 F594 M595 D596	R588-T592 VanDerWaalsContact O-CB 3.24Å; R588-T592 WeakPolarHBondContact O-CB 3.49Å; R588-T592 PolarHBondContact O-N 3.05Å; R588-T592 PolarHBondContact O-OG1 3.2Å; L590-T592 VanDerWaalsContact C-N 3.33Å; L590-T592 PolarHBondContact O-N 3.13Å; T592-F594 VanDerWaalsContact C-N 3.32Å; T592-F594 PolarHBondContact O-N 2.8Å; T592-M595 PolarHBondContact O-N 3.34Å; T592-D596 WeakPolarHBondContact O-CB 3.48Å; T592-D596 PolarHBondContact O-N 2.7Å
593	Q	88.1	Confident	83	Confident	39 Å²	39	50.9 Å²	50.9	18%	0.182	27%	0.265	C	S	.	.	H	α-helix	trans	-62.3	-40.3	177.5	-164.9	-166.8	25	0	0	111.7	D589 L590 R597 W704 L708	D589-Q593 VanDerWaalsContact O-CB 3.3Å; D589-Q593 WeakPolarHBondContact O-CB 3.13Å; D589-Q593 PolarHBondContact O-N 2.91Å; L590-Q593 PolarHBondContact O-N 2.78Å; Q593-R597 WeakPolarHBondContact O-CG 3.17Å; Q593-R597 PolarHBondContact O-N 2.76Å; Q593-W704 HydrophobicContact CB-CE3 4.48Å; Q593-W704 HydrophobicContact CB-CZ3 4.45Å; Q593-W704 HydrophobicContact CG-CE3 4.47Å; Q593-W704 PolarHBondContact NE2-O 2.69Å; Q593-W704 PolarHBondContact OE1-O 2.84Å; Q593-W704 VanDerWaalsContact OE1-O 3.09Å; Q593-L708 HydrophobicContact CB-CD1 4.03Å
594	F	87.2	Confident	81.1	Confident	6 Å²	6	54.7 Å²	54.7	3%	0.026	29%	0.292	C	S	.	.	H	α-helix	trans	-62.6	-53.6	174.5	-171.4	-106.6	0	0	0	111.6	L590 T592 D596 R597 F598 V617 C618 I621 V700 W704	L590-F594 WeakPolarHBondContact O-CB 3.45Å; L590-F594 PolarHBondContact O-N 2.8Å; T592-F594 VanDerWaalsContact C-N 3.32Å; T592-F594 PolarHBondContact O-N 2.8Å; F594-D596 VanDerWaalsContact C-N 3.29Å; F594-D596 PolarHBondContact O-N 2.88Å; F594-R597 PolarHBondContact O-N 3.38Å; F594-F598 HydrophobicContact CD1-CD2 4.11Å; F594-F598 HydrophobicContact CD1-CE2 4.1Å; F594-F598 HydrophobicContact CD2-CE2 4.29Å; F594-F598 AromaticContact CE1-CD2 3.91Å; F594-F598 HydrophobicContact CE1-CD2 3.91Å; F594-F598 AromaticContact CE1-CE2 3.45Å; F594-F598 HydrophobicContact CE1-CE2 3.45Å; F594-F598 VanDerWaalsContact CE1-CE2 3.45Å; F594-F598 HydrophobicContact CE1-CZ 4.12Å; F594-F598 HydrophobicContact CE2-CD2 4.37Å; F594-F598 AromaticContact CE2-CE2 3.69Å; F594-F598 HydrophobicContact CE2-CE2 3.69Å; F594-F598 HydrophobicContact CG-CD2 4.44Å; F594-F598 HydrophobicContact CG-CE2 4.49Å; F594-F598 HydrophobicContact CZ-CD2 4.07Å; F594-F598 AromaticContact CZ-CE2 3.25Å; F594-F598 HydrophobicContact CZ-CE2 3.25Å; F594-F598 AromaticContact CZ-CZ 3.91Å; F594-F598 HydrophobicContact CZ-CZ 3.91Å; F594-F598 WeakPolarHBondContact O-CD2 3.45Å; F594-F598 PolarHBondContact O-N 3.05Å; F594-V617 HydrophobicContact CD2-CG1 3.97Å; F594-V617 HydrophobicContact CE1-CB 4.35Å; F594-V617 HydrophobicContact CE1-CG1 4.46Å; F594-V617 HydrophobicContact CE2-CB 3.85Å; F594-V617 HydrophobicContact CE2-CG1 3.5Å; F594-V617 VanDerWaalsContact CE2-CG1 3.5Å; F594-V617 HydrophobicContact CE2-CG2 4.26Å; F594-V617 HydrophobicContact CZ-CB 3.61Å; F594-V617 HydrophobicContact CZ-CG1 3.75Å; F594-V617 HydrophobicContact CZ-CG2 4.17Å; F594-C618 VanDerWaalsContact CD1-SG 3.55Å; F594-C618 WeakPolarHBondContact CE1-SG 3.4Å; F594-I621 HydrophobicContact CB-CD1 4.41Å; F594-V700 HydrophobicContact CE2-CG1 4.46Å; F594-W704 HydrophobicContact CB-CE3 4.48Å; F594-W704 HydrophobicContact CB-CH2 3.89Å; F594-W704 HydrophobicContact CB-CZ2 4.27Å; F594-W704 HydrophobicContact CB-CZ3 4Å; F594-W704 HydrophobicContact CD2-CD2 4.21Å; F594-W704 AromaticContact CD2-CE2 3.6Å; F594-W704 HydrophobicContact CD2-CH2 4.04Å; F594-W704 AromaticContact CD2-CZ2 3.53Å; F594-W704 HydrophobicContact CD2-CZ2 3.53Å; F594-W704 AromaticContact CD2-NE1 3.93Å; F594-W704 HydrophobicContact CE2-CZ2 4.2Å; F594-W704 HydrophobicContact CG-CH2 4.33Å; F594-W704 HydrophobicContact CG-CZ2 4.23Å
595	M	83.1	Confident	79.3	Confident	7 Å²	7	54 Å²	54	3%	0.034	29%	0.288	C	S	.	.	H	α-helix	trans	-61	-36.7	178.9	-73.1	-75.5	146	0	0	112.5	Y591 T592 F598 R599 C618 L907 F909	Y591-M595 HydrophobicContact CD1-CG 4.15Å; Y591-M595 HydrophobicContact CE1-CG 3.78Å; Y591-M595 HydrophobicContact CE2-CE 3.84Å; Y591-M595 HydrophobicContact CE2-CG 4.28Å; Y591-M595 VanDerWaalsContact O-CB 3.29Å; Y591-M595 WeakPolarHBondContact O-CB 3.46Å; Y591-M595 WeakPolarHBondContact O-CG 3.46Å; Y591-M595 PolarHBondContact O-N 2.88Å; T592-M595 PolarHBondContact O-N 3.34Å; M595-F598 WeakPolarHBondContact O-CB 3.41Å; M595-F598 PolarHBondContact O-N 3.31Å; M595-R599 PolarHBondContact O-N 2.92Å; M595-C618 VanDerWaalsContact CE-SG 3.5Å; M595-L907 HydrophobicContact CE-CD2 4.29Å; M595-L907 HydrophobicContact SD-CD2 3.64Å; M595-F909 HydrophobicContact CB-CD1 4.37Å; M595-F909 HydrophobicContact CB-CE1 4Å; M595-F909 WeakPolarHBondContact O-CE1 3.27Å
596	D	82.7	Confident	77.4	Confident	52 Å²	52	51.7 Å²	51.7	28%	0.278	28%	0.275	S	S	.	.	H	α-helix	trans	-66.7	-42.2	176	-86.4	28.1	0	0	0	111.7	T592 F594 F598 R599 D600	T592-D596 WeakPolarHBondContact O-CB 3.48Å; T592-D596 PolarHBondContact O-N 2.7Å; F594-D596 VanDerWaalsContact C-N 3.29Å; F594-D596 PolarHBondContact O-N 2.88Å; D596-F598 VanDerWaalsContact C-N 3.32Å; D596-F598 PolarHBondContact O-N 2.85Å; D596-R599 WeakPolarHBondContact O-CB 3.44Å; D596-R599 PolarHBondContact O-N 3.19Å; D596-R599 IonicContact OD1-CZ 3.35Å; D596-R599 IonicContact OD1-NH1 2.73Å; D596-R599 PolarHBondContact OD1-NH1 2.71Å; D596-R599 IonicContact OD1-NH2 3.78Å; D596-R599 IonicContact OD2-CZ 3.41Å; D596-R599 VanDerWaalsContact OD2-CZ 3.27Å; D596-R599 IonicContact OD2-NH1 3.2Å; D596-R599 PolarHBondContact OD2-NH1 3.16Å; D596-R599 IonicContact OD2-NH2 2.95Å; D596-R599 PolarHBondContact OD2-NH2 2.83Å; D596-D600 WeakPolarHBondContact O-CB 3.13Å; D596-D600 PolarHBondContact O-N 2.89Å
597	R	77.2	Confident	75.4	Confident	120 Å²	120	57.2 Å²	57.2	45%	0.453	30%	0.303	S	S	.	.	H	α-helix	trans	-61.2	-39.9	171.7	-72.4	-174.9	-174.6	-137.3	9.2	111.9	Q593 F594 D600 C601	Q593-R597 WeakPolarHBondContact O-CG 3.17Å; Q593-R597 PolarHBondContact O-N 2.76Å; F594-R597 PolarHBondContact O-N 3.38Å; R597-D600 PolarHBondContact O-N 3.49Å; R597-C601 PolarHBondContact O-N 2.94Å; R597-C601 VanDerWaalsContact O-N 3.13Å; R597-C601 PolarHBondContact O-SG 2.91Å
598	F	71.2	Confident	73.4	Confident	9 Å²	9	59.5 Å²	59.5	4%	0.039	33%	0.328	C	S	.	.	H	α-helix	trans	-61.6	-41.4	173.6	-95.2	-101	0	0	0	112.9	F594 M595 D596 W606 L609 A614	F594-F598 HydrophobicContact CD1-CD2 4.11Å; F594-F598 HydrophobicContact CD1-CE2 4.1Å; F594-F598 HydrophobicContact CD2-CE2 4.29Å; F594-F598 AromaticContact CE1-CD2 3.91Å; F594-F598 HydrophobicContact CE1-CD2 3.91Å; F594-F598 AromaticContact CE1-CE2 3.45Å; F594-F598 HydrophobicContact CE1-CE2 3.45Å; F594-F598 VanDerWaalsContact CE1-CE2 3.45Å; F594-F598 HydrophobicContact CE1-CZ 4.12Å; F594-F598 HydrophobicContact CE2-CD2 4.37Å; F594-F598 AromaticContact CE2-CE2 3.69Å; F594-F598 HydrophobicContact CE2-CE2 3.69Å; F594-F598 HydrophobicContact CG-CD2 4.44Å; F594-F598 HydrophobicContact CG-CE2 4.49Å; F594-F598 HydrophobicContact CZ-CD2 4.07Å; F594-F598 AromaticContact CZ-CE2 3.25Å; F594-F598 HydrophobicContact CZ-CE2 3.25Å; F594-F598 AromaticContact CZ-CZ 3.91Å; F594-F598 HydrophobicContact CZ-CZ 3.91Å; F594-F598 WeakPolarHBondContact O-CD2 3.45Å; F594-F598 PolarHBondContact O-N 3.05Å; M595-F598 WeakPolarHBondContact O-CB 3.41Å; M595-F598 PolarHBondContact O-N 3.31Å; D596-F598 VanDerWaalsContact C-N 3.32Å; D596-F598 PolarHBondContact O-N 2.85Å; F598-W606 AromaticContact CD1-CE3 3.88Å; F598-W606 HydrophobicContact CD1-CE3 3.88Å; F598-W606 HydrophobicContact CD1-CZ3 4.24Å; F598-W606 HydrophobicContact CE1-CE3 4.05Å; F598-W606 HydrophobicContact CE1-CZ3 4.25Å; F598-L609 HydrophobicContact CD1-CD1 4.3Å; F598-L609 HydrophobicContact CD2-CD1 4Å; F598-L609 HydrophobicContact CE1-CB 3.78Å; F598-L609 HydrophobicContact CE1-CD1 3.8Å; F598-L609 HydrophobicContact CE1-CG 4.42Å; F598-L609 HydrophobicContact CE2-CD1 3.43Å; F598-L609 VanDerWaalsContact CE2-CD1 3.43Å; F598-L609 HydrophobicContact CG-CD1 4.4Å; F598-L609 HydrophobicContact CZ-CB 3.64Å; F598-L609 HydrophobicContact CZ-CD1 3.33Å; F598-L609 HydrophobicContact CZ-CG 4.1Å; F598-A614 HydrophobicContact CE1-CB 3.59Å; F598-A614 HydrophobicContact CE2-CB 4.39Å; F598-A614 HydrophobicContact CZ-CB 3.38Å
599	R	71.8	Confident	71.9	Confident	112 Å²	112	59 Å²	59	42%	0.423	33%	0.33	S	S	.	.	H	α-helix	trans	-65.6	-44.6	175.3	179.2	-166.2	65.6	-136.3	-9.1	111.7	M595 D596 C601 G602 F909	M595-R599 PolarHBondContact O-N 2.92Å; D596-R599 WeakPolarHBondContact O-CB 3.44Å; D596-R599 PolarHBondContact O-N 3.19Å; D596-R599 IonicContact OD1-CZ 3.35Å; D596-R599 IonicContact OD1-NH1 2.73Å; D596-R599 PolarHBondContact OD1-NH1 2.71Å; D596-R599 IonicContact OD1-NH2 3.78Å; D596-R599 IonicContact OD2-CZ 3.41Å; D596-R599 VanDerWaalsContact OD2-CZ 3.27Å; D596-R599 IonicContact OD2-NH1 3.2Å; D596-R599 PolarHBondContact OD2-NH1 3.16Å; D596-R599 IonicContact OD2-NH2 2.95Å; D596-R599 PolarHBondContact OD2-NH2 2.83Å; R599-C601 VanDerWaalsContact C-N 3.31Å; R599-C601 PolarHBondContact O-N 3.34Å; R599-G602 WeakPolarHBondContact O-CA 3.14Å; R599-G602 PolarHBondContact O-N 3.34Å; R599-F909 HydrophobicContact CB-CE1 3.9Å; R599-F909 HydrophobicContact CB-CZ 3.93Å
600	D	71.5	Confident	70.7	Confident	114 Å²	114	58.5 Å²	58.5	61%	0.61	33%	0.327	S	S	*	.	H	α-helix	trans	-75.1	-23.6	-170.7	-65.7	-5	0	0	0	111.9	D596 R597 G602	D596-D600 WeakPolarHBondContact O-CB 3.13Å; D596-D600 PolarHBondContact O-N 2.89Å; R597-D600 PolarHBondContact O-N 3.49Å; D600-G602 PolarHBondContact O-N 3.46Å
601	C	64.5	Low	69.6	Low	74 Å²	74	60.6 Å²	60.6	50%	0.5	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-7	164.8	-63.7	0	0	0	0	113.7	R597 R599 S604 G605	R597-C601 PolarHBondContact O-N 2.94Å; R597-C601 VanDerWaalsContact O-N 3.13Å; R597-C601 PolarHBondContact O-SG 2.91Å; R599-C601 VanDerWaalsContact C-N 3.31Å; R599-C601 PolarHBondContact O-N 3.34Å; C601-S604 PolarHBondContact O-N 2.77Å; C601-G605 PolarHBondContact O-N 3.08Å
602	G	62.2	Low	68.8	Low	39 Å²	39	61.2 Å²	61.2	40%	0.402	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	61.3	-150.5	176.6	0	0	0	0	0	113.9	R599 D600 S604 G605	R599-G602 WeakPolarHBondContact O-CA 3.14Å; R599-G602 PolarHBondContact O-N 3.34Å; D600-G602 PolarHBondContact O-N 3.46Å; G602-S604 PolarHBondContact O-N 2.86Å; G602-S604 VanDerWaalsContact O-N 3.15Å; G602-G605 PolarHBondContact O-N 3.21Å
603	T	56.6	Low	68.3	Low	108 Å²	108	59.9 Å²	59.9	66%	0.663	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-61.2	-22.5	176.3	-41.3	0	0	0	0	112.6	L607	T603-L607 HydrophobicContact CG2-CD1 4.34Å; T603-L607 WeakPolarHBondContact O-CG 3.3Å
604	S	53.9	Low	67.9	Low	95 Å²	95	58.1 Å²	58.1	66%	0.664	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-79.7	-15.4	173.4	-60.5	0	0	0	0	113.3	C601 G602 G608	C601-S604 PolarHBondContact O-N 2.77Å; G602-S604 PolarHBondContact O-N 2.86Å; G602-S604 VanDerWaalsContact O-N 3.15Å; S604-G608 WeakPolarHBondContact O-CA 3.49Å; S604-G608 PolarHBondContact O-N 3.39Å
605	G	55.6	Low	67.8	Low	3 Å²	3	58.4 Å²	58.4	3%	0.031	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-54.9	171.3	0	0	0	0	0	111.6	C601 G602 L607 G608 L609	C601-G605 PolarHBondContact O-N 3.08Å; G602-G605 PolarHBondContact O-N 3.21Å; G605-L607 PolarHBondContact O-N 2.91Å; G605-G608 PolarHBondContact O-N 3.05Å; G605-G608 VanDerWaalsContact O-N 3.13Å; G605-L609 WeakPolarHBondContact O-CB 3.21Å; G605-L609 PolarHBondContact O-N 2.94Å
606	W	53.5	Low	68	Low	70 Å²	70	58.8 Å²	58.8	27%	0.265	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-10.4	179.5	-163	-92.4	0	0	0	114.5	F598 P611 A614 L906 L907	F598-W606 AromaticContact CD1-CE3 3.88Å; F598-W606 HydrophobicContact CD1-CE3 3.88Å; F598-W606 HydrophobicContact CD1-CZ3 4.24Å; F598-W606 HydrophobicContact CE1-CE3 4.05Å; F598-W606 HydrophobicContact CE1-CZ3 4.25Å; W606-P611 HydrophobicContact CD2-CG 4.35Å; W606-P611 HydrophobicContact CH2-CB 4.15Å; W606-P611 HydrophobicContact CZ2-CB 3.63Å; W606-P611 HydrophobicContact CZ2-CG 3.84Å; W606-A614 HydrophobicContact CZ3-CB 4.45Å; W606-L906 HydrophobicContact CH2-CB 4.29Å; W606-L906 HydrophobicContact CH2-CD1 4.41Å; W606-L906 HydrophobicContact CZ2-CB 4.31Å; W606-L906 HydrophobicContact CZ2-CD1 4.01Å; W606-L907 HydrophobicContact CD2-CD1 4.3Å; W606-L907 HydrophobicContact CE3-CD1 3.77Å; W606-L907 HydrophobicContact CE3-CD2 3.9Å; W606-L907 HydrophobicContact CE3-CG 3.88Å; W606-L907 HydrophobicContact CH2-CD2 4.3Å; W606-L907 HydrophobicContact CH2-CG 4.25Å; W606-L907 HydrophobicContact CZ3-CD1 4.14Å; W606-L907 HydrophobicContact CZ3-CD2 3.49Å; W606-L907 VanDerWaalsContact CZ3-CD2 3.49Å; W606-L907 HydrophobicContact CZ3-CG 3.7Å
607	L	50.3	Low	68.2	Low	148 Å²	148	56.3 Å²	56.3	78%	0.775	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	-8.2	172	-68	174.5	0	0	0	113.2	T603 G605	T603-L607 HydrophobicContact CG2-CD1 4.34Å; T603-L607 WeakPolarHBondContact O-CG 3.3Å; G605-L607 PolarHBondContact O-N 2.91Å
608	G	54.7	Low	68.9	Low	50 Å²	50	50.6 Å²	50.6	52%	0.515	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-25.7	178.5	0	0	0	0	0	113.1	S604 G605	S604-G608 WeakPolarHBondContact O-CA 3.49Å; S604-G608 PolarHBondContact O-N 3.39Å; G605-G608 PolarHBondContact O-N 3.05Å; G605-G608 VanDerWaalsContact O-N 3.13Å
609	L	59	Low	69.8	Low	54 Å²	54	50.8 Å²	50.8	28%	0.283	30%	0.298	S	S	.	.	S	Bend	trans	-108	125.3	170.8	-59.6	171.9	0	0	0	107.8	F598 G605 P611 V700	F598-L609 HydrophobicContact CD1-CD1 4.3Å; F598-L609 HydrophobicContact CD2-CD1 4Å; F598-L609 HydrophobicContact CE1-CB 3.78Å; F598-L609 HydrophobicContact CE1-CD1 3.8Å; F598-L609 HydrophobicContact CE1-CG 4.42Å; F598-L609 HydrophobicContact CE2-CD1 3.43Å; F598-L609 VanDerWaalsContact CE2-CD1 3.43Å; F598-L609 HydrophobicContact CG-CD1 4.4Å; F598-L609 HydrophobicContact CZ-CB 3.64Å; F598-L609 HydrophobicContact CZ-CD1 3.33Å; F598-L609 HydrophobicContact CZ-CG 4.1Å; G605-L609 WeakPolarHBondContact O-CB 3.21Å; G605-L609 PolarHBondContact O-N 2.94Å; L609-P611 WeakPolarHBondContact O-CD 3.36Å; L609-V700 HydrophobicContact CD2-CG2 4.15Å
610	N	67.5	Low	70.9	Confident	50 Å²	50	46.2 Å²	46.2	27%	0.267	28%	0.281	S	S	.	.			trans	-58.3	125.7	178	-173.4	-5.7	0	0	0	109.4	E31 L612 K613 A614	E31-N610 PolarHBondContact OE1-ND2 3.26Å; N610-L612 PolarHBondContact O-N 3.27Å; N610-L612 WeakPolarHBondContact OD1-CG 3.37Å; N610-L612 PolarHBondContact OD1-N 3Å; N610-L612 VanDerWaalsContact OD1-N 3.1Å; N610-K613 HydrophobicContact CB-CB 4.4Å; N610-K613 HydrophobicContact CB-CG 4.35Å; N610-K613 PolarHBondContact O-N 3.15Å; N610-K613 VanDerWaalsContact O-N 3.15Å; N610-A614 PolarHBondContact O-N 3.44Å
611	P	70.9	Confident	71.9	Confident	45 Å²	45	40.8 Å²	40.8	29%	0.292	25%	0.252	S	S	.	.	H	α-helix	trans	-51.7	-24.5	172.8	-31.9	39.2	0	0	0	114.8	W606 L609 F615	W606-P611 HydrophobicContact CD2-CG 4.35Å; W606-P611 HydrophobicContact CH2-CB 4.15Å; W606-P611 HydrophobicContact CZ2-CB 3.63Å; W606-P611 HydrophobicContact CZ2-CG 3.84Å; L609-P611 WeakPolarHBondContact O-CD 3.36Å; P611-F615 PolarHBondContact O-N 3.35Å; P611-F615 VanDerWaalsContact O-N 3.11Å
612	L	75.1	Confident	73.4	Confident	25 Å²	25	37.3 Å²	37.3	13%	0.131	23%	0.228	C	C	.	.	H	α-helix	trans	-71.1	-57.7	174.3	-52.2	-178	0	0	0	111.1	E31 V34 N610 A614 F615 C616	E31-L612 HydrophobicContact CB-CD1 4.37Å; E31-L612 HydrophobicContact CG-CB 4.47Å; E31-L612 HydrophobicContact CG-CD1 4.1Å; V34-L612 HydrophobicContact CB-CD1 3.84Å; V34-L612 HydrophobicContact CB-CD2 3.95Å; V34-L612 HydrophobicContact CG1-CD1 4.32Å; V34-L612 HydrophobicContact CG1-CD2 3.91Å; V34-L612 HydrophobicContact CG2-CD1 4.39Å; V34-L612 HydrophobicContact CG2-CD2 3.9Å; N610-L612 PolarHBondContact O-N 3.27Å; N610-L612 WeakPolarHBondContact OD1-CG 3.37Å; N610-L612 PolarHBondContact OD1-N 3Å; N610-L612 VanDerWaalsContact OD1-N 3.1Å; L612-A614 PolarHBondContact O-N 3.44Å; L612-A614 VanDerWaalsContact O-N 3.17Å; L612-F615 CarbonylContact O-C 3.6Å; L612-F615 WeakPolarHBondContact O-CA 3.47Å; L612-F615 VanDerWaalsContact O-CB 3.27Å; L612-F615 WeakPolarHBondContact O-CB 3.44Å; L612-F615 PolarHBondContact O-N 3.25Å; L612-C616 PolarHBondContact O-N 3.4Å; L612-C616 PolarHBondContact O-SG 3.18Å
613	K	77.7	Confident	75	Confident	37 Å²	37	35.5 Å²	35.5	16%	0.161	21%	0.209	C	C	.	.	H	α-helix	trans	-57.1	-33.4	173.2	-62.8	-173.2	-176.7	-75.6	0	112.2	E27 E31 N610 F615 C616 V617 V700	E27-K613 IonicContact OE2-NZ 3.95Å; E27-K613 PolarHBondContact OE2-NZ 3.09Å; E31-K613 VanDerWaalsContact OE1-CE 3.23Å; E31-K613 WeakPolarHBondContact OE1-CE 3.49Å; E31-K613 IonicContact OE1-NZ 3.72Å; N610-K613 HydrophobicContact CB-CB 4.4Å; N610-K613 HydrophobicContact CB-CG 4.35Å; N610-K613 PolarHBondContact O-N 3.15Å; N610-K613 VanDerWaalsContact O-N 3.15Å; K613-F615 VanDerWaalsContact C-N 3.33Å; K613-F615 PolarHBondContact O-N 3.39Å; K613-C616 PolarHBondContact O-N 2.75Å; K613-V617 WeakPolarHBondContact O-CG2 3.4Å; K613-V617 PolarHBondContact O-N 2.77Å; K613-V617 VanDerWaalsContact O-N 3.07Å; K613-V700 HydrophobicContact CB-CG2 3.74Å; K613-V700 HydrophobicContact CD-CG2 4.08Å
614	A	80.4	Confident	76.9	Confident	3 Å²	3	30.3 Å²	30.3	3%	0.025	18%	0.177	C	C	.	.	H	α-helix	trans	-61.1	-38	171.1	0	0	0	0	0	113.3	F598 W606 N610 L612 C618	F598-A614 HydrophobicContact CE1-CB 3.59Å; F598-A614 HydrophobicContact CE2-CB 4.39Å; F598-A614 HydrophobicContact CZ-CB 3.38Å; W606-A614 HydrophobicContact CZ3-CB 4.45Å; N610-A614 PolarHBondContact O-N 3.44Å; L612-A614 PolarHBondContact O-N 3.44Å; L612-A614 VanDerWaalsContact O-N 3.17Å; A614-C618 PolarHBondContact O-N 3.34Å; A614-C618 PolarHBondContact O-SG 3.14Å
615	F	84.4	Confident	78.9	Confident	11 Å²	11	25.8 Å²	25.8	5%	0.048	15%	0.146	C	C	.	.	H	α-helix	trans	-69.2	-46.8	171.7	164	-104.4	0	0	0	111.7	E30 P611 L612 K613 V617 C618 C619 W622 W838 L870 I874	E30-F615 WeakPolarHBondContact OE2-CD1 3.5Å; E30-F615 WeakPolarHBondContact OE2-CE1 3.37Å; P611-F615 PolarHBondContact O-N 3.35Å; P611-F615 VanDerWaalsContact O-N 3.11Å; L612-F615 CarbonylContact O-C 3.6Å; L612-F615 WeakPolarHBondContact O-CA 3.47Å; L612-F615 VanDerWaalsContact O-CB 3.27Å; L612-F615 WeakPolarHBondContact O-CB 3.44Å; L612-F615 PolarHBondContact O-N 3.25Å; K613-F615 VanDerWaalsContact C-N 3.33Å; K613-F615 PolarHBondContact O-N 3.39Å; F615-V617 PolarHBondContact O-N 3.5Å; F615-C618 PolarHBondContact O-N 3.16Å; F615-C618 VanDerWaalsContact O-N 3.13Å; F615-C619 WeakPolarHBondContact O-CB 3.26Å; F615-C619 PolarHBondContact O-N 3.31Å; F615-W622 AromaticContact CD2-CH2 3.96Å; F615-W622 HydrophobicContact CD2-CH2 3.96Å; F615-W622 HydrophobicContact CD2-CZ2 4.14Å; F615-W622 HydrophobicContact CE2-CH2 4.05Å; F615-W622 AromaticContact CE2-CZ2 3.76Å; F615-W622 HydrophobicContact CE2-CZ2 3.76Å; F615-W838 HydrophobicContact CB-CZ2 4.23Å; F615-W838 AromaticContact CD1-NE1 3.48Å; F615-W838 AromaticContact CD2-CZ2 3.87Å; F615-W838 HydrophobicContact CD2-CZ2 3.87Å; F615-W838 AromaticContact CD2-NE1 3.74Å; F615-W838 AromaticContact CE1-NE1 3.39Å; F615-W838 HydrophobicContact CE2-CZ2 4.43Å; F615-W838 AromaticContact CE2-NE1 3.66Å; F615-W838 AromaticContact CG-CZ2 3.98Å; F615-W838 HydrophobicContact CG-CZ2 3.98Å; F615-W838 AromaticContact CG-NE1 3.65Å; F615-W838 AromaticContact CZ-NE1 3.49Å; F615-L870 HydrophobicContact CB-CD2 4.37Å; F615-L870 HydrophobicContact CD2-CD2 4.34Å; F615-I874 HydrophobicContact CD2-CD1 3.48Å; F615-I874 VanDerWaalsContact CD2-CD1 3.48Å; F615-I874 HydrophobicContact CE2-CD1 3.24Å; F615-I874 HydrophobicContact CZ-CD1 4.3Å
616	C	86.4	Confident	80.8	Confident	15 Å²	15	25.8 Å²	25.8	10%	0.101	15%	0.145	C	C	.	.	H	α-helix	trans	-54.2	-51.9	-179.9	-55.2	0	0	0	0	111.6	L612 K613 C618 C619 K620	L612-C616 PolarHBondContact O-N 3.4Å; L612-C616 PolarHBondContact O-SG 3.18Å; K613-C616 PolarHBondContact O-N 2.75Å; C616-C618 VanDerWaalsContact C-N 3.35Å; C616-C618 PolarHBondContact O-N 3.23Å; C616-C619 VanDerWaalsContact O-CB 3.32Å; C616-C619 WeakPolarHBondContact O-CB 3.02Å; C616-C619 PolarHBondContact O-N 3.43Å; C616-C619 VanDerWaalsContact O-N 3.11Å; C616-K620 PolarHBondContact O-N 3.11Å; C616-K620 VanDerWaalsContact O-N 3.11Å
617	V	88.3	Confident	82.7	Confident	1 Å²	1	22.5 Å²	22.5	1%	0.006	13%	0.132	C	C	.	.	H	α-helix	trans	-61.3	-41.3	177.8	-178.6	0	0	0	0	111.9	F594 K613 F615 C619 K620 I621 L628 V700 Y702 W704	F594-V617 HydrophobicContact CD2-CG1 3.97Å; F594-V617 HydrophobicContact CE1-CB 4.35Å; F594-V617 HydrophobicContact CE1-CG1 4.46Å; F594-V617 HydrophobicContact CE2-CB 3.85Å; F594-V617 HydrophobicContact CE2-CG1 3.5Å; F594-V617 VanDerWaalsContact CE2-CG1 3.5Å; F594-V617 HydrophobicContact CE2-CG2 4.26Å; F594-V617 HydrophobicContact CZ-CB 3.61Å; F594-V617 HydrophobicContact CZ-CG1 3.75Å; F594-V617 HydrophobicContact CZ-CG2 4.17Å; K613-V617 WeakPolarHBondContact O-CG2 3.4Å; K613-V617 PolarHBondContact O-N 2.77Å; K613-V617 VanDerWaalsContact O-N 3.07Å; F615-V617 PolarHBondContact O-N 3.5Å; V617-C619 VanDerWaalsContact C-N 3.3Å; V617-C619 PolarHBondContact O-N 2.75Å; V617-K620 PolarHBondContact O-N 3.33Å; V617-I621 HydrophobicContact CG1-CD1 4.37Å; V617-I621 WeakPolarHBondContact O-CG1 3.37Å; V617-I621 PolarHBondContact O-N 3.15Å; V617-I621 VanDerWaalsContact O-N 3.16Å; V617-L628 HydrophobicContact CG1-CD1 4.02Å; V617-V700 HydrophobicContact CG2-CG1 4.03Å; V617-Y702 HydrophobicContact CB-CE1 4.45Å; V617-Y702 HydrophobicContact CG1-CD1 4.45Å; V617-Y702 HydrophobicContact CG1-CE1 4.13Å; V617-Y702 HydrophobicContact CG2-CE1 3.7Å; V617-W704 HydrophobicContact CG1-CZ2 3.73Å
618	C	90.5	Very high	84.7	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-66.4	-33	176.4	-65.9	0	0	0	0	112.8	Y591 F594 M595 A614 F615 C616 I621 W622	Y591-C618 HydrophobicContact CE2-CB 4.34Å; F594-C618 VanDerWaalsContact CD1-SG 3.55Å; F594-C618 WeakPolarHBondContact CE1-SG 3.4Å; M595-C618 VanDerWaalsContact CE-SG 3.5Å; A614-C618 PolarHBondContact O-N 3.34Å; A614-C618 PolarHBondContact O-SG 3.14Å; F615-C618 PolarHBondContact O-N 3.16Å; F615-C618 VanDerWaalsContact O-N 3.13Å; C616-C618 VanDerWaalsContact C-N 3.35Å; C616-C618 PolarHBondContact O-N 3.23Å; C618-I621 PolarHBondContact O-N 3.03Å; C618-W622 HydrophobicContact CB-CE3 3.86Å; C618-W622 HydrophobicContact CB-CH2 3.74Å; C618-W622 HydrophobicContact CB-CZ3 3.29Å; C618-W622 VanDerWaalsContact O-CE3 3.23Å; C618-W622 PolarHBondContact O-N 2.71Å
619	C	92	Very high	86.6	Confident	13 Å²	13	16.1 Å²	16.1	9%	0.088	8%	0.083	C	C	.	.	H	α-helix	trans	-62.3	-49.2	176.3	-161.6	0	0	0	0	110.9	F615 C616 V617 I621 W622 N623	F615-C619 WeakPolarHBondContact O-CB 3.26Å; F615-C619 PolarHBondContact O-N 3.31Å; C616-C619 VanDerWaalsContact O-CB 3.32Å; C616-C619 WeakPolarHBondContact O-CB 3.02Å; C616-C619 PolarHBondContact O-N 3.43Å; C616-C619 VanDerWaalsContact O-N 3.11Å; V617-C619 VanDerWaalsContact C-N 3.3Å; V617-C619 PolarHBondContact O-N 2.75Å; C619-I621 VanDerWaalsContact C-N 3.3Å; C619-I621 PolarHBondContact O-N 3.08Å; C619-W622 HydrophobicContact CB-CZ2 4.09Å; C619-W622 PolarHBondContact O-N 2.94Å; C619-N623 WeakPolarHBondContact O-CB 3.36Å; C619-N623 PolarHBondContact O-N 3.24Å
620	K	93.4	Very high	88	Confident	15 Å²	15	17 Å²	17	7%	0.065	9%	0.086	C	C	.	.	H	α-helix	trans	-53.9	-45.7	172.4	-59	-171.5	-166.8	-87.2	0	110.5	E23 C616 V617 H624 V627 L628 A631	E23-K620 IonicContact OE2-NZ 2.61Å; E23-K620 PolarHBondContact OE2-NZ 2.91Å; C616-K620 PolarHBondContact O-N 3.11Å; C616-K620 VanDerWaalsContact O-N 3.11Å; V617-K620 PolarHBondContact O-N 3.33Å; K620-H624 CarbonylContact O-C 3.35Å; K620-H624 PolarHBondContact O-N 3.29Å; K620-V627 HydrophobicContact CB-CB 4.26Å; K620-V627 HydrophobicContact CB-CG1 3.93Å; K620-V627 HydrophobicContact CD-CG1 4.1Å; K620-V627 HydrophobicContact CG-CG1 3.76Å; K620-L628 HydrophobicContact CB-CB 4.27Å; K620-A631 HydrophobicContact CD-CB 4.03Å
621	I	93.9	Very high	89	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60	-56.7	177.8	-62.5	164.5	0	0	0	113.7	Q587 L590 F594 V617 C618 C619 L628 W704	Q587-I621 HydrophobicContact CB-CG2 4.41Å; Q587-I621 WeakPolarHBondContact CG-O 3.36Å; Q587-I621 PolarHBondContact NE2-O 3.1Å; Q587-I621 WeakPolarHBondContact O-CG2 3.25Å; L590-I621 HydrophobicContact CB-CD1 4.37Å; L590-I621 HydrophobicContact CB-CG1 4.37Å; L590-I621 HydrophobicContact CB-CG2 4.11Å; F594-I621 HydrophobicContact CB-CD1 4.41Å; V617-I621 HydrophobicContact CG1-CD1 4.37Å; V617-I621 WeakPolarHBondContact O-CG1 3.37Å; V617-I621 PolarHBondContact O-N 3.15Å; V617-I621 VanDerWaalsContact O-N 3.16Å; C618-I621 PolarHBondContact O-N 3.03Å; C619-I621 VanDerWaalsContact C-N 3.3Å; C619-I621 PolarHBondContact O-N 3.08Å; I621-L628 HydrophobicContact CD1-CD2 4.41Å; I621-L628 HydrophobicContact CG1-CD2 3.76Å; I621-W704 HydrophobicContact CD1-CH2 3.84Å; I621-W704 HydrophobicContact CD1-CZ2 4.38Å
622	W	94.4	Very high	89.9	Confident	2 Å²	2	12.9 Å²	12.9	1%	0.008	6%	0.062	C	C	.	.	H	α-helix	trans	-76.5	-23.2	-171.4	63.4	55.7	0	0	0	113.4	L583 Q587 Y591 F615 C618 C619 K722 A866 T869 L870 E871	L583-W622 HydrophobicContact CD2-CB 3.81Å; Q587-W622 VanDerWaalsContact NE2-C 3.34Å; Q587-W622 PolarHBondContact NE2-O 3.4Å; Y591-W622 HydrophobicContact CE2-CE3 4.33Å; Y591-W622 HydrophobicContact CE2-CZ3 4.32Å; F615-W622 AromaticContact CD2-CH2 3.96Å; F615-W622 HydrophobicContact CD2-CH2 3.96Å; F615-W622 HydrophobicContact CD2-CZ2 4.14Å; F615-W622 HydrophobicContact CE2-CH2 4.05Å; F615-W622 AromaticContact CE2-CZ2 3.76Å; F615-W622 HydrophobicContact CE2-CZ2 3.76Å; C618-W622 HydrophobicContact CB-CE3 3.86Å; C618-W622 HydrophobicContact CB-CH2 3.74Å; C618-W622 HydrophobicContact CB-CZ3 3.29Å; C618-W622 VanDerWaalsContact O-CE3 3.23Å; C618-W622 PolarHBondContact O-N 2.71Å; C619-W622 HydrophobicContact CB-CZ2 4.09Å; C619-W622 PolarHBondContact O-N 2.94Å; W622-K722 VanDerWaalsContact O-CD 3.23Å; W622-K722 WeakPolarHBondContact O-CD 3.34Å; W622-A866 HydrophobicContact CB-CB 4.03Å; W622-A866 HydrophobicContact CG-CB 4.37Å; W622-T869 HydrophobicContact CE3-CG2 4.48Å; W622-L870 HydrophobicContact CH2-CB 4.15Å; W622-L870 HydrophobicContact CH2-CD2 4.18Å; W622-L870 HydrophobicContact CH2-CG 4.16Å; W622-L870 HydrophobicContact CZ3-CB 3.82Å; W622-L870 HydrophobicContact CZ3-CD2 4.41Å; W622-L870 HydrophobicContact CZ3-CG 4.32Å; W622-E871 HydrophobicContact CD2-CB 3.93Å; W622-E871 HydrophobicContact CE3-CB 4.16Å; W622-E871 HydrophobicContact CH2-CB 4.12Å; W622-E871 HydrophobicContact CZ2-CB 3.86Å; W622-E871 HydrophobicContact CZ2-CG 4.35Å; W622-E871 HydrophobicContact CZ3-CB 4.24Å
623	N	96	Very high	90.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-71.4	-59.9	173.7	-81.3	1.5	0	0	0	110.4	C619 S720 K722 T749 F834 D835	C619-N623 WeakPolarHBondContact O-CB 3.36Å; C619-N623 PolarHBondContact O-N 3.24Å; N623-S720 VanDerWaalsContact O-CB 3.23Å; N623-S720 WeakPolarHBondContact O-CB 3.47Å; N623-S720 PolarHBondContact O-OG 2.9Å; N623-K722 PolarHBondContact OD1-NZ 3.26Å; N623-T749 HydrophobicContact CB-CG2 4Å; N623-T749 PolarHBondContact ND2-OG1 3.19Å; N623-F834 HydrophobicContact CB-CE1 3.86Å; N623-F834 WeakPolarHBondContact OD1-CE1 3.41Å; N623-D835 PolarHBondContact ND2-OD2 3.25Å
624	H	96.4	Very high	90.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.077	C	C	.	.			trans	-165.1	135.8	167.6	-162.7	-85.1	0	0	0	111.2	K620 D626 V627 V716 S720 M723 L752 F756	K620-H624 CarbonylContact O-C 3.35Å; K620-H624 PolarHBondContact O-N 3.29Å; H624-D626 IonicContact CE1-OD1 2.73Å; H624-D626 PolarHBondContact CE1-OD1 2.87Å; H624-D626 IonicContact CE1-OD2 3.18Å; H624-D626 PolarHBondContact CE1-OD2 3.13Å; H624-D626 VanDerWaalsContact ND1-CB 3.29Å; H624-D626 WeakPolarHBondContact ND1-CB 3.46Å; H624-D626 PolarHBondContact ND1-N 2.99Å; H624-D626 VanDerWaalsContact ND1-N 3.2Å; H624-D626 IonicContact ND1-OD1 3.47Å; H624-D626 PolarHBondContact ND1-OD1 2.98Å; H624-D626 IonicContact ND1-OD2 2.78Å; H624-D626 PolarHBondContact ND1-OD2 2.87Å; H624-D626 PolarHBondContact O-N 3.33Å; H624-V627 HydrophobicContact CB-CG2 4.37Å; H624-V627 WeakPolarHBondContact O-CB 3.22Å; H624-V627 PolarHBondContact O-N 2.92Å; H624-V716 PolarHBondContact NE2-O 3.45Å; H624-S720 WeakPolarHBondContact CD2-CB 3.18Å; H624-M723 HydrophobicContact CB-CE 4.27Å; H624-M723 HydrophobicContact CB-CG 4.42Å; H624-L752 HydrophobicContact CB-CD2 3.44Å; H624-L752 VanDerWaalsContact CB-CD2 3.44Å; H624-F756 AromaticContact CD2-CE2 3.98Å; H624-F756 AromaticContact CE1-CZ 3.88Å; H624-F756 AromaticContact NE2-CE2 3.78Å; H624-F756 AromaticContact NE2-CZ 3.59Å
625	P	96.1	Very high	90.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-64.4	-24.5	-176.8	-7.8	17.3	0	0	0	114.6	I586 Q587 L590 V627 L628 Y629 Y712 N719	I586-P625 HydrophobicContact CG2-CG 4.06Å; Q587-P625 HydrophobicContact CG-CG 3.57Å; L590-P625 HydrophobicContact CD1-CB 3.77Å; L590-P625 HydrophobicContact CD1-CG 4.42Å; P625-V627 PolarHBondContact O-N 2.99Å; P625-L628 WeakPolarHBondContact O-CA 3.31Å; P625-L628 WeakPolarHBondContact O-CB 3.37Å; P625-L628 PolarHBondContact O-N 3.24Å; P625-Y629 PolarHBondContact O-N 2.76Å; P625-Y712 HydrophobicContact CB-CE1 4.11Å; P625-Y712 HydrophobicContact CB-CE2 4.37Å; P625-Y712 VanDerWaalsContact CB-OH 3.25Å; P625-Y712 WeakPolarHBondContact CB-OH 3.46Å; P625-Y712 VanDerWaalsContact CG-OH 3.29Å; P625-Y712 WeakPolarHBondContact CG-OH 3.35Å; P625-N719 HydrophobicContact CG-CB 4.43Å
626	D	95.8	Very high	90.6	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.011	9%	0.091	C	C	.	.	H	α-helix	trans	-48.6	-40.2	167.3	-63.7	8.1	0	0	0	112.1	H624 L628 Y629 E630 Y712 T714 G715 L752	H624-D626 IonicContact CE1-OD1 2.73Å; H624-D626 PolarHBondContact CE1-OD1 2.87Å; H624-D626 IonicContact CE1-OD2 3.18Å; H624-D626 PolarHBondContact CE1-OD2 3.13Å; H624-D626 VanDerWaalsContact ND1-CB 3.29Å; H624-D626 WeakPolarHBondContact ND1-CB 3.46Å; H624-D626 PolarHBondContact ND1-N 2.99Å; H624-D626 VanDerWaalsContact ND1-N 3.2Å; H624-D626 IonicContact ND1-OD1 3.47Å; H624-D626 PolarHBondContact ND1-OD1 2.98Å; H624-D626 IonicContact ND1-OD2 2.78Å; H624-D626 PolarHBondContact ND1-OD2 2.87Å; H624-D626 PolarHBondContact O-N 3.33Å; D626-L628 VanDerWaalsContact C-N 3.3Å; D626-L628 PolarHBondContact O-N 2.99Å; D626-Y629 CarbonylContact O-C 3.52Å; D626-Y629 WeakPolarHBondContact O-CA 3.07Å; D626-Y629 WeakPolarHBondContact O-CB 3.38Å; D626-Y629 PolarHBondContact O-N 3Å; D626-E630 WeakPolarHBondContact O-CB 3.39Å; D626-E630 VanDerWaalsContact O-CG 3.31Å; D626-E630 WeakPolarHBondContact O-CG 3.45Å; D626-E630 PolarHBondContact O-N 3.21Å; D626-Y712 PolarHBondContact N-OH 3.16Å; D626-Y712 WeakPolarHBondContact OD1-CE1 3.4Å; D626-Y712 VanDerWaalsContact OD1-CZ 3.32Å; D626-Y712 PolarHBondContact OD1-OH 3.34Å; D626-T714 HydrophobicContact CB-CG2 4.49Å; D626-T714 WeakPolarHBondContact OD1-CA 3.48Å; D626-G715 PolarHBondContact OD2-N 3.09Å; D626-L752 HydrophobicContact CB-CD1 4.12Å; D626-L752 HydrophobicContact CB-CD2 3.91Å
627	V	93.8	Very high	90.2	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	11%	0.109	C	C	.	.	H	α-helix	trans	-65.5	-33.3	178.4	-174.6	0	0	0	0	112.2	K620 H624 P625 A631 L752	K620-V627 HydrophobicContact CB-CB 4.26Å; K620-V627 HydrophobicContact CB-CG1 3.93Å; K620-V627 HydrophobicContact CD-CG1 4.1Å; K620-V627 HydrophobicContact CG-CG1 3.76Å; H624-V627 HydrophobicContact CB-CG2 4.37Å; H624-V627 WeakPolarHBondContact O-CB 3.22Å; H624-V627 PolarHBondContact O-N 2.92Å; P625-V627 PolarHBondContact O-N 2.99Å; V627-A631 PolarHBondContact O-N 2.67Å; V627-L752 HydrophobicContact CG2-CD2 3.67Å
628	L	92.9	Very high	89.6	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-75.3	-33.7	172.6	-176.6	69.1	0	0	0	111.4	L590 V617 K620 I621 P625 D626 L632 Y702 W704 A705	L590-L628 HydrophobicContact CD1-CD2 4.32Å; L590-L628 HydrophobicContact CD2-CD2 4.02Å; V617-L628 HydrophobicContact CG1-CD1 4.02Å; K620-L628 HydrophobicContact CB-CB 4.27Å; I621-L628 HydrophobicContact CD1-CD2 4.41Å; I621-L628 HydrophobicContact CG1-CD2 3.76Å; P625-L628 WeakPolarHBondContact O-CA 3.31Å; P625-L628 WeakPolarHBondContact O-CB 3.37Å; P625-L628 PolarHBondContact O-N 3.24Å; D626-L628 VanDerWaalsContact C-N 3.3Å; D626-L628 PolarHBondContact O-N 2.99Å; L628-L632 VanDerWaalsContact O-CB 3.24Å; L628-L632 WeakPolarHBondContact O-CB 3.4Å; L628-L632 PolarHBondContact O-N 3.29Å; L628-Y702 HydrophobicContact CD1-CD1 3.46Å; L628-Y702 VanDerWaalsContact CD1-CD1 3.46Å; L628-Y702 HydrophobicContact CD1-CE1 3.63Å; L628-Y702 HydrophobicContact CD1-CG 4.37Å; L628-W704 HydrophobicContact CD1-CZ2 4.41Å; L628-W704 HydrophobicContact CD2-CH2 3.77Å; L628-W704 HydrophobicContact CD2-CZ2 3.92Å; L628-A705 HydrophobicContact CD2-CB 4.15Å
629	Y	92.9	Very high	88.3	Confident	64 Å²	64	30.3 Å²	30.3	25%	0.251	16%	0.157	S	C	.	.	H	α-helix	trans	-68.1	-43.5	177.2	-174.9	-90.4	0	0	0	111.4	P625 D626 L632 Q633 L709 Y712 T714	P625-Y629 PolarHBondContact O-N 2.76Å; D626-Y629 CarbonylContact O-C 3.52Å; D626-Y629 WeakPolarHBondContact O-CA 3.07Å; D626-Y629 WeakPolarHBondContact O-CB 3.38Å; D626-Y629 PolarHBondContact O-N 3Å; Y629-L632 PolarHBondContact O-N 2.94Å; Y629-Q633 HydrophobicContact CD1-CG 3.94Å; Y629-Q633 HydrophobicContact CE1-CG 3.6Å; Y629-Q633 WeakPolarHBondContact O-CB 3.42Å; Y629-Q633 VanDerWaalsContact O-CG 3.27Å; Y629-Q633 WeakPolarHBondContact O-CG 3.31Å; Y629-Q633 PolarHBondContact O-N 3.03Å; Y629-L709 HydrophobicContact CD2-CB 4.05Å; Y629-L709 HydrophobicContact CD2-CD1 4.21Å; Y629-L709 HydrophobicContact CD2-CD2 4.33Å; Y629-L709 HydrophobicContact CD2-CG 4.42Å; Y629-L709 HydrophobicContact CE2-CB 4.42Å; Y629-Y712 AromaticContact CD2-CD1 3.91Å; Y629-Y712 HydrophobicContact CD2-CD1 3.91Å; Y629-Y712 HydrophobicContact CG-CD1 4.17Å; Y629-T714 HydrophobicContact CD1-CG2 3.45Å; Y629-T714 VanDerWaalsContact CD1-CG2 3.45Å; Y629-T714 HydrophobicContact CE1-CG2 3.82Å; Y629-T714 HydrophobicContact CG-CG2 3.93Å
630	E	89.9	Confident	86.8	Confident	73 Å²	73	36.6 Å²	36.6	34%	0.341	19%	0.185	S	C	.	.	H	α-helix	trans	-59.5	-51	174.9	-73.5	157	-171.9	0	0	110.9	D626 L632 Q633 K634	D626-E630 WeakPolarHBondContact O-CB 3.39Å; D626-E630 VanDerWaalsContact O-CG 3.31Å; D626-E630 WeakPolarHBondContact O-CG 3.45Å; D626-E630 PolarHBondContact O-N 3.21Å; E630-L632 VanDerWaalsContact C-N 3.33Å; E630-L632 PolarHBondContact O-N 3.38Å; E630-Q633 PolarHBondContact O-N 3.42Å; E630-K634 PolarHBondContact O-N 3.2Å
631	A	88.4	Confident	85	Confident	5 Å²	5	42.2 Å²	42.2	4%	0.041	21%	0.212	C	C	.	.	H	α-helix	trans	-60.3	-39	175.8	0	0	0	0	0	113	K620 V627 E635 Y702	K620-A631 HydrophobicContact CD-CB 4.03Å; V627-A631 PolarHBondContact O-N 2.67Å; A631-E635 PolarHBondContact O-N 3.24Å; A631-Y702 HydrophobicContact CB-CD2 4.29Å; A631-Y702 HydrophobicContact CB-CE2 3.74Å
632	L	88.8	Confident	83.1	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-65.1	-36.6	172.9	169.9	62.8	0	0	0	112.4	L628 Y629 E630 N636 K706 L709	L628-L632 VanDerWaalsContact O-CB 3.24Å; L628-L632 WeakPolarHBondContact O-CB 3.4Å; L628-L632 PolarHBondContact O-N 3.29Å; Y629-L632 PolarHBondContact O-N 2.94Å; E630-L632 VanDerWaalsContact C-N 3.33Å; E630-L632 PolarHBondContact O-N 3.38Å; L632-N636 PolarHBondContact O-N 2.88Å; L632-N636 PolarHBondContact O-ND2 2.72Å; L632-K706 HydrophobicContact CD1-CD 4.28Å; L632-K706 HydrophobicContact CD1-CG 3.7Å; L632-K706 HydrophobicContact CD2-CG 4.02Å; L632-K706 HydrophobicContact CG-CG 4.44Å; L632-L709 HydrophobicContact CD2-CB 4.4Å; L632-L709 HydrophobicContact CD2-CD1 3.67Å
633	Q	86.7	Confident	80.8	Confident	87 Å²	87	55.1 Å²	55.1	41%	0.407	28%	0.28	S	S	.	.	H	α-helix	trans	-74.1	-37.3	178.8	-72.8	-61.2	103.7	0	0	112.1	Y629 E630 N636 L637	Y629-Q633 HydrophobicContact CD1-CG 3.94Å; Y629-Q633 HydrophobicContact CE1-CG 3.6Å; Y629-Q633 WeakPolarHBondContact O-CB 3.42Å; Y629-Q633 VanDerWaalsContact O-CG 3.27Å; Y629-Q633 WeakPolarHBondContact O-CG 3.31Å; Y629-Q633 PolarHBondContact O-N 3.03Å; E630-Q633 PolarHBondContact O-N 3.42Å; Q633-N636 PolarHBondContact O-N 2.81Å; Q633-N636 PolarHBondContact OE1-ND2 2.59Å; Q633-N636 VanDerWaalsContact OE1-ND2 3.12Å; Q633-L637 WeakPolarHBondContact O-CB 3.42Å; Q633-L637 PolarHBondContact O-N 2.85Å
634	K	84.8	Confident	78.5	Confident	45 Å²	45	62.4 Å²	62.4	20%	0.196	32%	0.319	C	S	.	.	H	α-helix	trans	-59.1	-49.6	168.1	-71.6	-177.6	170.1	177.8	0	111.6	L19 E20 E23 E630 N636 L637 A638	L19-K634 VanDerWaalsContact C-NZ 3.32Å; L19-K634 PolarHBondContact O-NZ 2.79Å; E20-K634 HydrophobicContact CG-CD 4.06Å; E20-K634 WeakPolarHBondContact OE1-CB 3.47Å; E20-K634 WeakPolarHBondContact OE1-CD 3.45Å; E20-K634 VanDerWaalsContact OE1-CG 3.27Å; E20-K634 WeakPolarHBondContact OE1-CG 3.28Å; E23-K634 IonicContact OE1-NZ 2.66Å; E23-K634 PolarHBondContact OE1-NZ 3.49Å; E630-K634 PolarHBondContact O-N 3.2Å; K634-N636 VanDerWaalsContact C-N 3.28Å; K634-N636 PolarHBondContact O-N 2.91Å; K634-L637 PolarHBondContact O-N 2.91Å; K634-A638 PolarHBondContact O-N 3.42Å
635	E	80.9	Confident	76.1	Confident	33 Å²	33	67.8 Å²	67.8	15%	0.154	35%	0.352	C	S	.	.	H	α-helix	trans	-54.4	-44.3	174.8	-176.6	-172	-160.6	0	0	111.3	A631 N639 T701 Y702	A631-E635 PolarHBondContact O-N 3.24Å; E635-N639 WeakPolarHBondContact O-CB 3.42Å; E635-N639 PolarHBondContact O-N 3.12Å; E635-N639 PolarHBondContact O-ND2 2.86Å; E635-T701 WeakPolarHBondContact OE1-CA 3.22Å; E635-T701 WeakPolarHBondContact OE1-CB 3.08Å; E635-T701 VanDerWaalsContact OE1-CG2 3.3Å; E635-T701 WeakPolarHBondContact OE1-CG2 3.31Å; E635-Y702 HydrophobicContact CB-CD2 4.35Å; E635-Y702 PolarHBondContact OE1-N 3.22Å; E635-Y702 WeakPolarHBondContact OE2-CA 3.49Å; E635-Y702 VanDerWaalsContact OE2-CB 3.26Å; E635-Y702 WeakPolarHBondContact OE2-CB 3.45Å; E635-Y702 PolarHBondContact OE2-N 2.76Å
636	N	79.5	Confident	73.3	Confident	42 Å²	42	72.4 Å²	72.4	23%	0.225	37%	0.373	C	S	.	.	H	α-helix	trans	-64.6	-41.5	176.6	-67.1	-38.1	0	0	0	112.6	L632 Q633 K634 N639 E640 K706	L632-N636 PolarHBondContact O-N 2.88Å; L632-N636 PolarHBondContact O-ND2 2.72Å; Q633-N636 PolarHBondContact O-N 2.81Å; Q633-N636 PolarHBondContact OE1-ND2 2.59Å; Q633-N636 VanDerWaalsContact OE1-ND2 3.12Å; K634-N636 VanDerWaalsContact C-N 3.28Å; K634-N636 PolarHBondContact O-N 2.91Å; N636-N639 PolarHBondContact O-N 3.02Å; N636-E640 PolarHBondContact O-N 2.98Å; N636-K706 WeakPolarHBondContact OD1-CE 3.39Å; N636-K706 PolarHBondContact OD1-NZ 2.99Å
637	L	78.8	Confident	70.4	Confident	92 Å²	92	80 Å²	80	48%	0.482	41%	0.409	S	S	.	.	H	α-helix	trans	-70.6	-44.3	-176.4	-174.6	61.5	0	0	0	112.3	Q633 K634 N639 E640 Q641	Q633-L637 WeakPolarHBondContact O-CB 3.42Å; Q633-L637 PolarHBondContact O-N 2.85Å; K634-L637 PolarHBondContact O-N 2.91Å; L637-N639 VanDerWaalsContact C-N 3.28Å; L637-N639 PolarHBondContact O-N 2.82Å; L637-E640 PolarHBondContact O-N 3.45Å; L637-E640 VanDerWaalsContact O-N 3.08Å; L637-Q641 PolarHBondContact O-N 2.87Å
638	A	75	Confident	67.7	Low	54 Å²	54	89 Å²	89	45%	0.446	46%	0.456	S	S	.	.	H	α-helix	trans	-58.9	-39.3	173.4	0	0	0	0	0	112	K634 E640 Q641 D642	K634-A638 PolarHBondContact O-N 3.42Å; A638-E640 VanDerWaalsContact C-N 3.31Å; A638-E640 PolarHBondContact O-N 3.48Å; A638-Q641 PolarHBondContact O-N 2.8Å; A638-D642 PolarHBondContact O-N 3.11Å
639	N	64.5	Low	64.9	Low	105 Å²	105	91.5 Å²	91.5	56%	0.561	48%	0.482	S	S	*	.	H	α-helix	trans	-69.8	-19.8	175.2	-82.7	-75.4	0	0	0	114.3	E635 N636 L637 L643	E635-N639 WeakPolarHBondContact O-CB 3.42Å; E635-N639 PolarHBondContact O-N 3.12Å; E635-N639 PolarHBondContact O-ND2 2.86Å; N636-N639 PolarHBondContact O-N 3.02Å; L637-N639 VanDerWaalsContact C-N 3.28Å; L637-N639 PolarHBondContact O-N 2.82Å; N639-L643 WeakPolarHBondContact O-CD1 3.41Å
640	E	59.7	Low	61.9	Low	145 Å²	145	94 Å²	94	68%	0.678	51%	0.509	S	S	*	.	H	α-helix	trans	-90	-32.5	172.9	-70.8	-160.9	157.7	0	0	112.6	N636 L637 A638 L643	N636-E640 PolarHBondContact O-N 2.98Å; L637-E640 PolarHBondContact O-N 3.45Å; L637-E640 VanDerWaalsContact O-N 3.08Å; A638-E640 VanDerWaalsContact C-N 3.31Å; A638-E640 PolarHBondContact O-N 3.48Å; E640-L643 PolarHBondContact O-N 3.31Å
641	Q	55.8	Low	59.3	Low	133 Å²	133	95.4 Å²	95.4	62%	0.621	53%	0.533	S	S	*	.	H	α-helix	trans	-69.4	-32.3	179.7	-69.3	-171	30.7	0	0	113.9	L637 A638 L643	L637-Q641 PolarHBondContact O-N 2.87Å; A638-Q641 PolarHBondContact O-N 2.8Å; Q641-L643 PolarHBondContact O-N 3.47Å; Q641-L643 VanDerWaalsContact O-N 3.12Å
642	D	53.7	Low	56.6	Low	148 Å²	148	99 Å²	99	79%	0.791	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	3.4	179.3	-159.2	38.3	0	0	0	113.7	A638	A638-D642 PolarHBondContact O-N 3.11Å
643	L	46.1	Very low	54.2	Low	126 Å²	126	105.2 Å²	105.2	66%	0.66	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	-10.9	-175.8	-65.8	176.7	0	0	0	115.4	N639 E640 Q641	N639-L643 WeakPolarHBondContact O-CD1 3.41Å; E640-L643 PolarHBondContact O-N 3.31Å; Q641-L643 PolarHBondContact O-N 3.47Å; Q641-L643 VanDerWaalsContact O-N 3.12Å
644	D	48.8	Very low	51.7	Low	153 Å²	153	106.6 Å²	106.6	82%	0.818	63%	0.628	S	S	*	*	S	Bend	trans	-97.4	12.4	-166.2	-98.8	-1.3	0	0	0	115.7
645	V	44.9	Very low	49.3	Very low	112 Å²	112	108.5 Å²	108.5	68%	0.679	65%	0.653	S	S	*	*	S	Bend	trans	-112.2	-4.6	-168.9	-169	0	0	0	0	115.6
646	E	37.2	Very low	46.9	Very low	97 Å²	97	118.5 Å²	118.5	45%	0.453	69%	0.689	S	S	.	*	S	Bend	trans	-137.9	137.1	168	-68.4	-170.6	174.4	0	0	109.3	L1347 V1348	E646-L1347 HydrophobicContact CG-CD2 3.66Å; E646-L1347 HydrophobicContact CG-CG 4.22Å; E646-L1347 WeakPolarHBondContact OE1-CG 3.21Å; E646-V1348 WeakPolarHBondContact OE1-CA 3.32Å; E646-V1348 VanDerWaalsContact OE1-CG1 3.3Å; E646-V1348 WeakPolarHBondContact OE1-CG1 3.39Å; E646-V1348 PolarHBondContact OE1-N 3.35Å; E646-V1348 WeakPolarHBondContact OE2-CG1 3.27Å
647	E	35.7	Very low	44.5	Very low	163 Å²	163	121.8 Å²	121.8	76%	0.762	71%	0.714	S	S	*	*			cis	-151.8	109.6	8.2	179.4	-161.9	161	0	0	110.2
648	L	36.3	Very low	42.4	Very low	188 Å²	188	122.9 Å²	122.9	98%	0.984	73%	0.726	S	S	*	*			trans	-107	47.3	170.3	-142.6	82.5	0	0	0	111.8
649	G	33.8	Very low	40.8	Very low	54 Å²	54	125.4 Å²	125.4	56%	0.557	74%	0.738	S	S	*	*			trans	-123	19.7	-147.1	0	0	0	0	0	119.9
650	S	31.3	Very low	39.6	Very low	116 Å²	116	130 Å²	130	81%	0.811	76%	0.756	S	S	*	*			trans	21.5	119	161.6	-62.8	0	0	0	0	120.4
651	A	34.8	Very low	38.5	Very low	102 Å²	102	126 Å²	126	84%	0.843	75%	0.754	S	S	*	*				-174.2	100.6	126.2	0	0	0	0	0	115.3
652	G	32.5	Very low	37.8	Very low	82 Å²	82	125.8 Å²	125.8	85%	0.845	76%	0.762	S	S	*	*			trans	-95.8	63.4	165.2	0	0	0	0	0	114.4
653	T	37	Very low	37	Very low	132 Å²	132	127.1 Å²	127.1	81%	0.81	76%	0.76	S	S	*	*			trans	-157.4	100.9	166.6	11.1	0	0	0	0	116.4
654	S	33.9	Very low	36.6	Very low	116 Å²	116	127.4 Å²	127.4	81%	0.811	77%	0.767	S	S	*	*				42.2	111.4	126.2	-169.3	0	0	0	0	121.2
655	A	35.1	Very low	36.1	Very low	86 Å²	86	127.4 Å²	127.4	71%	0.711	76%	0.76	S	S	*	*				168.1	147.9	98.7	0	0	0	0	0	115.2
656	R	31.2	Very low	35.7	Very low	242 Å²	242	125 Å²	125	91%	0.913	76%	0.758	S	S	*	*			trans	63	140.7	160.9	-81	178.8	162.8	146.9	-2.3	118.6
657	C	28.7	Very low	35.8	Very low	112 Å²	112	127.2 Å²	127.2	76%	0.757	77%	0.768	S	S	*	*			cis	-158.9	158.4	-13.1	-132.8	0	0	0	0	110.6
658	P	35.6	Very low	35.9	Very low	114 Å²	114	125.9 Å²	125.9	74%	0.74	77%	0.766	S	S	*	*			trans	-121	-146.2	-163.5	36.3	-14.8	0	0	0	113.9
659	P	40.4	Very low	36	Very low	107 Å²	107	122 Å²	122	70%	0.695	76%	0.755	S	S	*	*				-134.9	173.5	-91.7	43.3	-27	0	0	0	116.6
660	H	38.4	Very low	36.2	Very low	202 Å²	202	123.1 Å²	123.1	94%	0.935	76%	0.759	S	S	*	*			trans	-150.4	141.4	159.8	-72.3	-63	0	0	0	110.6
661	G	37.8	Very low	36.3	Very low	61 Å²	61	125.9 Å²	125.9	63%	0.629	76%	0.764	S	S	*	*			cis	163.1	149.9	-13.4	0	0	0	0	0	114.4
662	T	41.1	Very low	36.3	Very low	129 Å²	129	126.1 Å²	126.1	79%	0.791	76%	0.756	S	S	*	*			trans	67.4	151.4	168.7	57.1	0	0	0	0	118.8
663	K	37.5	Very low	36.2	Very low	176 Å²	176	127.5 Å²	127.5	77%	0.765	75%	0.753	S	S	*	*			cis	-151.4	137	6.8	-116	144.9	-170.7	171.7	0	109.5
664	V	36.6	Very low	36.1	Very low	132 Å²	132	126.5 Å²	126.5	80%	0.8	75%	0.752	S	S	*	*				62	126.4	99.3	177.8	0	0	0	0	114
665	K	38.7	Very low	36	Very low	153 Å²	153	129.8 Å²	129.8	67%	0.665	76%	0.756	S	S	*	*			cis	-147.8	169.6	19.5	-148.8	-176.3	-176.7	-162.7	0	108.8	E667	K665-E667 WeakPolarHBondContact CE-OE1 3.31Å; K665-E667 WeakPolarHBondContact CE-OE2 3.33Å; K665-E667 IonicContact NZ-OE1 2.75Å; K665-E667 PolarHBondContact NZ-OE1 3.05Å; K665-E667 IonicContact NZ-OE2 3.32Å; K665-E667 PolarHBondContact NZ-OE2 2.82Å
666	G	37.2	Very low	35.9	Very low	62 Å²	62	129 Å²	129	64%	0.639	76%	0.757	S	S	*	*			cis	118.9	157	-1.4	0	0	0	0	0	113.8
667	E	38.1	Very low	36	Very low	142 Å²	142	126.5 Å²	126.5	66%	0.664	76%	0.756	S	S	*	*			trans	79.3	138.9	179.6	-63.1	167.9	170	0	0	117.9	K665	K665-E667 WeakPolarHBondContact CE-OE1 3.31Å; K665-E667 WeakPolarHBondContact CE-OE2 3.33Å; K665-E667 IonicContact NZ-OE1 2.75Å; K665-E667 PolarHBondContact NZ-OE1 3.05Å; K665-E667 IonicContact NZ-OE2 3.32Å; K665-E667 PolarHBondContact NZ-OE2 2.82Å
668	D	38.4	Very low	36.4	Very low	135 Å²	135	125.4 Å²	125.4	72%	0.722	76%	0.755	S	S	*	*			cis	-166.9	155.7	-18.4	-118.1	3.9	0	0	0	113.7
669	S	39	Very low	36.5	Very low	107 Å²	107	126.2 Å²	126.2	75%	0.748	76%	0.757	S	S	*	*			trans	48.7	151.3	143.7	-67.6	0	0	0	0	123.7
670	A	37.8	Very low	36.1	Very low	78 Å²	78	128.8 Å²	128.8	65%	0.645	77%	0.766	S	S	*	*			cis	-170	141	-16.4	0	0	0	0	0	113.5
671	L	32.5	Very low	35.9	Very low	173 Å²	173	124.3 Å²	124.3	91%	0.906	76%	0.757	S	S	*	*			trans	63.3	159.4	142.5	-63.3	171.1	0	0	0	123
672	P	35.6	Very low	35.8	Very low	107 Å²	107	130.7 Å²	130.7	70%	0.695	77%	0.767	S	S	*	*			trans	-134.1	-164.1	-165	43.7	-24.3	0	0	0	115.8
673	S	29.8	Very low	35.3	Very low	111 Å²	111	133.6 Å²	133.6	78%	0.776	77%	0.769	S	S	*	*			trans	85	121.6	152	74.3	0	0	0	0	121.8
674	S	34.5	Very low	35.1	Very low	112 Å²	112	131.6 Å²	131.6	78%	0.783	77%	0.766	S	S	*	*			trans	-179.7	104.8	142.4	-178.9	0	0	0	0	107.5
675	M	31.8	Very low	34.6	Very low	184 Å²	184	133.9 Å²	133.9	91%	0.906	77%	0.768	S	S	*	*				79.2	125.1	73.1	-80.9	-75.8	-75.5	0	0	115.1
676	G	33.3	Very low	34.1	Very low	70 Å²	70	129.9 Å²	129.9	72%	0.722	77%	0.77	S	S	*	*			trans	105.4	137.7	175.9	0	0	0	0	0	114.7
677	E	33.5	Very low	33.9	Very low	190 Å²	190	132.4 Å²	132.4	89%	0.888	77%	0.773	S	S	*	*			cis	-166.7	150.9	-9	-143.4	169.9	-163.6	0	0	111.4
678	A	37.8	Very low	33.3	Very low	89 Å²	89	129.5 Å²	129.5	74%	0.736	78%	0.781	S	S	*	*			trans	61	150.3	161.4	0	0	0	0	0	120.9
679	T	36.3	Very low	33	Very low	130 Å²	130	130.9 Å²	130.9	80%	0.798	78%	0.781	S	S	*	*			cis	-157.5	120.6	-19.3	19.7	0	0	0	0	111.9
680	N	33.3	Very low	32.6	Very low	162 Å²	162	133.8 Å²	133.8	87%	0.866	79%	0.788	S	S	*	*			trans	26.7	122.8	151.9	-72	-24.6	0	0	0	124.7
681	S	34.3	Very low	32.3	Very low	107 Å²	107	135.3 Å²	135.3	75%	0.748	79%	0.791	S	S	*	*				93.1	101.6	121.9	179.4	0	0	0	0	122.1
682	K	35.5	Very low	32.3	Very low	195 Å²	195	135.7 Å²	135.7	85%	0.848	79%	0.786	S	S	*	*				-171.4	136.7	121.6	-107.6	169.3	-176.4	177.5	0	113
683	F	30.5	Very low	32.1	Very low	190 Å²	190	139.8 Å²	139.8	83%	0.833	80%	0.796	S	S	*	*			trans	60.8	125.5	172.5	-94.4	-116.1	0	0	0	115.8
684	L	32.3	Very low	32.4	Very low	135 Å²	135	143.9 Å²	143.9	71%	0.707	80%	0.803	S	S	*	*			cis	64.1	132.3	44.6	-57.3	176.8	0	0	0	113.6
685	Q	27.1	Very low	32.3	Very low	180 Å²	180	149.6 Å²	149.6	84%	0.841	81%	0.807	S	S	*	*			cis	-169	146	-12	176	173.4	-2.8	0	0	108.4
686	G	26.5	Very low	32.2	Very low	68 Å²	68	143.9 Å²	143.9	70%	0.701	80%	0.796	S	S	*	*			trans	118.3	173.8	158	0	0	0	0	0	118.7
687	V	33	Very low	32.3	Very low	115 Å²	115	146.9 Å²	146.9	70%	0.697	80%	0.795	S	S	*	*			trans	60.4	90.2	174.8	-138	0	0	0	0	117.6	F689	V687-F689 HydrophobicContact CB-CE2 4.25Å; V687-F689 HydrophobicContact CG1-CD2 3.71Å; V687-F689 HydrophobicContact CG1-CE1 4.25Å; V687-F689 HydrophobicContact CG1-CE2 3.28Å; V687-F689 HydrophobicContact CG1-CG 4.37Å; V687-F689 HydrophobicContact CG1-CZ 3.59Å
688	G	26.7	Very low	33.1	Very low	82 Å²	82	143.7 Å²	143.7	85%	0.845	78%	0.784	S	S	*	*			trans	-91.7	135.5	153.7	0	0	0	0	0	110
689	F	31.7	Very low	33.9	Very low	164 Å²	164	144.7 Å²	144.7	72%	0.719	78%	0.776	S	S	*	*			trans	-119	130.4	178.3	-80.8	-74.1	0	0	0	110.8	V687	V687-F689 HydrophobicContact CB-CE2 4.25Å; V687-F689 HydrophobicContact CG1-CD2 3.71Å; V687-F689 HydrophobicContact CG1-CE1 4.25Å; V687-F689 HydrophobicContact CG1-CE2 3.28Å; V687-F689 HydrophobicContact CG1-CG 4.37Å; V687-F689 HydrophobicContact CG1-CZ 3.59Å
690	N	30.1	Very low	35.2	Very low	168 Å²	168	139.6 Å²	139.6	90%	0.898	75%	0.745	S	S	*	*			trans	-147.1	64.8	164.1	-105	-9.9	0	0	0	111.9	F692	N690-F692 PolarHBondContact O-N 3.32Å
691	P	31.2	Very low	37	Very low	109 Å²	109	135.2 Å²	135.2	71%	0.708	72%	0.724	S	S	*	*			trans	-89.4	80.7	-177.4	35.8	-33.3	0	0	0	111.9
692	F	32.8	Very low	39.3	Very low	181 Å²	181	131.3 Å²	131.3	79%	0.794	69%	0.693	S	S	*	*			trans	-156.4	15.4	175.8	-145.9	-104.2	0	0	0	118	N690	N690-F692 PolarHBondContact O-N 3.32Å
693	Q	31.3	Very low	41.5	Very low	194 Å²	194	127.5 Å²	127.5	91%	0.907	68%	0.678	S	S	*	*			trans	-128.8	11.4	-173.3	-150.2	160.7	5.7	0	0	116.9
694	E	36.6	Very low	44.1	Very low	197 Å²	197	119 Å²	119	92%	0.921	64%	0.641	S	S	*	*			trans	-99.3	113	163	-78.4	156.8	-161.9	0	0	109.4
695	R	31.6	Very low	46.7	Very low	231 Å²	231	112.6 Å²	112.6	87%	0.872	61%	0.607	S	S	*	*			trans	-154.9	49.7	171.9	-160.1	-170.4	-66.5	-140.7	-0.4	109.4
696	G	30.8	Very low	49.6	Very low	64 Å²	64	107.1 Å²	107.1	66%	0.66	58%	0.58	S	S	*	*	S	Bend	trans	-121.9	-59.6	-172.2	0	0	0	0	0	112.9
697	N	35.4	Very low	52.4	Low	133 Å²	133	110.9 Å²	110.9	71%	0.711	58%	0.58	S	S	*	*			trans	-114.4	133.3	-173.7	-65.6	15.4	0	0	0	111.1	I699	N697-I699 HydrophobicContact CB-CD1 3.88Å; N697-I699 HydrophobicContact CB-CG1 4.03Å; N697-I699 PolarHBondContact O-N 3Å
698	N	50.3	Low	55.1	Low	124 Å²	124	108.3 Å²	108.3	66%	0.663	56%	0.562	S	S	*	*			trans	-89	36.4	174.5	-68.6	-14.3	0	0	0	111.9
699	I	54.6	Low	58.1	Low	110 Å²	110	104.6 Å²	104.6	56%	0.564	52%	0.523	S	S	*	.			trans	-78.1	126.1	-177.6	-65.5	166.8	0	0	0	108.9	N697 T701	N697-I699 HydrophobicContact CB-CD1 3.88Å; N697-I699 HydrophobicContact CB-CG1 4.03Å; N697-I699 PolarHBondContact O-N 3Å; I699-T701 HydrophobicContact CG2-CG2 4.08Å; I699-T701 PolarHBondContact O-N 2.83Å
700	V	63	Low	60.6	Low	23 Å²	23	101.6 Å²	101.6	14%	0.139	52%	0.518	C	S	.	.			trans	-92.9	82.8	176.4	-175.2	0	0	0	0	108.4	F594 L609 K613 V617	F594-V700 HydrophobicContact CE2-CG1 4.46Å; L609-V700 HydrophobicContact CD2-CG2 4.15Å; K613-V700 HydrophobicContact CB-CG2 3.74Å; K613-V700 HydrophobicContact CD-CG2 4.08Å; V617-V700 HydrophobicContact CG2-CG1 4.03Å
701	T	72.2	Confident	63.2	Low	70 Å²	70	100.9 Å²	100.9	43%	0.429	51%	0.514	S	S	.	.			trans	-57.1	136.1	-178.8	55.4	0	0	0	0	111.8	E635 I699 E703	E635-T701 WeakPolarHBondContact OE1-CA 3.22Å; E635-T701 WeakPolarHBondContact OE1-CB 3.08Å; E635-T701 VanDerWaalsContact OE1-CG2 3.3Å; E635-T701 WeakPolarHBondContact OE1-CG2 3.31Å; I699-T701 HydrophobicContact CG2-CG2 4.08Å; I699-T701 PolarHBondContact O-N 2.83Å; T701-E703 PolarHBondContact O-N 2.9Å
702	Y	82.8	Confident	66.1	Low	25 Å²	25	97.2 Å²	97.2	10%	0.098	49%	0.486	C	S	.	.	G	3₁₀ helix	trans	-83.3	-1.4	-179.3	-59	-69	0	0	0	113	V617 L628 A631 E635 W704 A705	V617-Y702 HydrophobicContact CB-CE1 4.45Å; V617-Y702 HydrophobicContact CG1-CD1 4.45Å; V617-Y702 HydrophobicContact CG1-CE1 4.13Å; V617-Y702 HydrophobicContact CG2-CE1 3.7Å; L628-Y702 HydrophobicContact CD1-CD1 3.46Å; L628-Y702 VanDerWaalsContact CD1-CD1 3.46Å; L628-Y702 HydrophobicContact CD1-CE1 3.63Å; L628-Y702 HydrophobicContact CD1-CG 4.37Å; A631-Y702 HydrophobicContact CB-CD2 4.29Å; A631-Y702 HydrophobicContact CB-CE2 3.74Å; E635-Y702 HydrophobicContact CB-CD2 4.35Å; E635-Y702 PolarHBondContact OE1-N 3.22Å; E635-Y702 WeakPolarHBondContact OE2-CA 3.49Å; E635-Y702 VanDerWaalsContact OE2-CB 3.26Å; E635-Y702 WeakPolarHBondContact OE2-CB 3.45Å; E635-Y702 PolarHBondContact OE2-N 2.76Å; Y702-W704 PolarHBondContact O-N 2.93Å; Y702-A705 WeakPolarHBondContact O-CB 2.97Å; Y702-A705 PolarHBondContact O-N 2.97Å
703	E	80.1	Confident	68.8	Low	114 Å²	114	95.4 Å²	95.4	53%	0.533	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-35.1	-40.5	172.4	-75.7	-110.7	106	0	0	114.9	T701 A705 K706	T701-E703 PolarHBondContact O-N 2.9Å; E703-A705 PolarHBondContact O-N 2.78Å; E703-K706 WeakPolarHBondContact O-CB 3.33Å; E703-K706 WeakPolarHBondContact O-CG 3.28Å; E703-K706 PolarHBondContact O-N 3.41Å; E703-K706 WeakPolarHBondContact OE1-CE 3.28Å; E703-K706 IonicContact OE1-NZ 3.03Å; E703-K706 PolarHBondContact OE1-NZ 3.42Å
704	W	85.7	Confident	71.7	Confident	12 Å²	12	89.3 Å²	89.3	5%	0.045	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-59.3	-31.6	-179.3	63.4	-91	0	0	0	113.8	L590 Q593 F594 V617 I621 L628 Y702	L590-W704 HydrophobicContact CB-CH2 4.4Å; L590-W704 HydrophobicContact CB-CZ3 4.42Å; L590-W704 HydrophobicContact CD2-CH2 4.15Å; L590-W704 HydrophobicContact CD2-CZ3 3.96Å; L590-W704 WeakPolarHBondContact O-CZ3 3.37Å; Q593-W704 HydrophobicContact CB-CE3 4.48Å; Q593-W704 HydrophobicContact CB-CZ3 4.45Å; Q593-W704 HydrophobicContact CG-CE3 4.47Å; Q593-W704 PolarHBondContact NE2-O 2.69Å; Q593-W704 PolarHBondContact OE1-O 2.84Å; Q593-W704 VanDerWaalsContact OE1-O 3.09Å; F594-W704 HydrophobicContact CB-CE3 4.48Å; F594-W704 HydrophobicContact CB-CH2 3.89Å; F594-W704 HydrophobicContact CB-CZ2 4.27Å; F594-W704 HydrophobicContact CB-CZ3 4Å; F594-W704 HydrophobicContact CD2-CD2 4.21Å; F594-W704 AromaticContact CD2-CE2 3.6Å; F594-W704 HydrophobicContact CD2-CH2 4.04Å; F594-W704 AromaticContact CD2-CZ2 3.53Å; F594-W704 HydrophobicContact CD2-CZ2 3.53Å; F594-W704 AromaticContact CD2-NE1 3.93Å; F594-W704 HydrophobicContact CE2-CZ2 4.2Å; F594-W704 HydrophobicContact CG-CH2 4.33Å; F594-W704 HydrophobicContact CG-CZ2 4.23Å; V617-W704 HydrophobicContact CG1-CZ2 3.73Å; I621-W704 HydrophobicContact CD1-CH2 3.84Å; I621-W704 HydrophobicContact CD1-CZ2 4.38Å; L628-W704 HydrophobicContact CD1-CZ2 4.41Å; L628-W704 HydrophobicContact CD2-CH2 3.77Å; L628-W704 HydrophobicContact CD2-CZ2 3.92Å; Y702-W704 PolarHBondContact O-N 2.93Å
705	A	88.2	Confident	74.3	Confident	0 Å²	0	81 Å²	81	0%	0	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-84.3	-16.4	-178.2	0	0	0	0	0	113	L590 L628 Y702 E703 E707 L708 L709	L590-A705 HydrophobicContact CD2-CB 3.88Å; L628-A705 HydrophobicContact CD2-CB 4.15Å; Y702-A705 WeakPolarHBondContact O-CB 2.97Å; Y702-A705 PolarHBondContact O-N 2.97Å; E703-A705 PolarHBondContact O-N 2.78Å; A705-E707 PolarHBondContact O-N 2.84Å; A705-E707 VanDerWaalsContact O-N 3.16Å; A705-L708 PolarHBondContact O-N 2.88Å; A705-L709 HydrophobicContact CB-CD1 3.76Å; A705-L709 HydrophobicContact CB-CG 4.36Å; A705-L709 WeakPolarHBondContact O-CB 3.24Å; A705-L709 WeakPolarHBondContact O-CG 3.48Å; A705-L709 PolarHBondContact O-N 3.31Å
706	K	86.3	Confident	77.3	Confident	65 Å²	65	72 Å²	72	28%	0.283	39%	0.394	S	S	.	.	H	α-helix	trans	-50.9	-42.9	-177.6	-70.2	179	178.8	-178.3	0	112.1	L632 N636 E703 L709 T710	L632-K706 HydrophobicContact CD1-CD 4.28Å; L632-K706 HydrophobicContact CD1-CG 3.7Å; L632-K706 HydrophobicContact CD2-CG 4.02Å; L632-K706 HydrophobicContact CG-CG 4.44Å; N636-K706 WeakPolarHBondContact OD1-CE 3.39Å; N636-K706 PolarHBondContact OD1-NZ 2.99Å; E703-K706 WeakPolarHBondContact O-CB 3.33Å; E703-K706 WeakPolarHBondContact O-CG 3.28Å; E703-K706 PolarHBondContact O-N 3.41Å; E703-K706 WeakPolarHBondContact OE1-CE 3.28Å; E703-K706 IonicContact OE1-NZ 3.03Å; E703-K706 PolarHBondContact OE1-NZ 3.42Å; K706-L709 PolarHBondContact O-N 3.28Å; K706-T710 PolarHBondContact O-N 2.99Å; K706-T710 PolarHBondContact O-OG1 3.08Å
707	E	86.2	Confident	80.2	Confident	147 Å²	147	69.2 Å²	69.2	69%	0.687	36%	0.364	S	S	*	.	H	α-helix	trans	-64.6	-39.3	178.9	-64.1	-175.5	148.6	0	0	113.6	A705	A705-E707 PolarHBondContact O-N 2.84Å; A705-E707 VanDerWaalsContact O-N 3.16Å
708	L	88.8	Confident	83.1	Confident	62 Å²	62	68.9 Å²	68.9	33%	0.325	36%	0.358	S	S	.	.	H	α-helix	trans	-77.7	-30.1	177.4	-67.2	-174.9	0	0	0	112	D589 L590 Q593 A705	D589-L708 HydrophobicContact CB-CD1 4.2Å; L590-L708 HydrophobicContact CD2-CB 4Å; L590-L708 HydrophobicContact CD2-CD1 3.95Å; L590-L708 HydrophobicContact CG-CD1 4.2Å; Q593-L708 HydrophobicContact CB-CD1 4.03Å; A705-L708 PolarHBondContact O-N 2.88Å
709	L	90	Very high	85.2	Confident	4 Å²	4	64.3 Å²	64.3	2%	0.021	33%	0.334	C	S	.	.	H	α-helix	trans	-91.7	-6.1	-177.1	-66.5	174.2	0	0	0	114.3	L590 Y629 L632 A705 K706 N711 Y712	L590-L709 HydrophobicContact CD1-CD2 4.23Å; L590-L709 HydrophobicContact CD2-CD1 4.44Å; L590-L709 HydrophobicContact CD2-CD2 4.4Å; L590-L709 HydrophobicContact CD2-CG 4.2Å; Y629-L709 HydrophobicContact CD2-CB 4.05Å; Y629-L709 HydrophobicContact CD2-CD1 4.21Å; Y629-L709 HydrophobicContact CD2-CD2 4.33Å; Y629-L709 HydrophobicContact CD2-CG 4.42Å; Y629-L709 HydrophobicContact CE2-CB 4.42Å; L632-L709 HydrophobicContact CD2-CB 4.4Å; L632-L709 HydrophobicContact CD2-CD1 3.67Å; A705-L709 HydrophobicContact CB-CD1 3.76Å; A705-L709 HydrophobicContact CB-CG 4.36Å; A705-L709 WeakPolarHBondContact O-CB 3.24Å; A705-L709 WeakPolarHBondContact O-CG 3.48Å; A705-L709 PolarHBondContact O-N 3.31Å; K706-L709 PolarHBondContact O-N 3.28Å; L709-N711 PolarHBondContact O-N 3.44Å; L709-Y712 HydrophobicContact CD2-CD1 3.69Å; L709-Y712 HydrophobicContact CD2-CD2 4.29Å; L709-Y712 HydrophobicContact CD2-CE1 4.28Å; L709-Y712 HydrophobicContact CD2-CG 3.68Å; L709-Y712 VanDerWaalsContact O-CB 3.28Å; L709-Y712 WeakPolarHBondContact O-CB 3.49Å; L709-Y712 PolarHBondContact O-N 2.87Å
710	T	84.6	Confident	87.2	Confident	100 Å²	100	59.1 Å²	59.1	61%	0.613	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-30.7	-176.1	-60.4	0	0	0	0	114	K706	K706-T710 PolarHBondContact O-N 2.99Å; K706-T710 PolarHBondContact O-OG1 3.08Å
711	N	84.8	Confident	88.8	Confident	154 Å²	154	58.2 Å²	58.2	82%	0.824	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.6	27	178.2	-59.6	-90.6	0	0	0	111.7	L709	L709-N711 PolarHBondContact O-N 3.44Å
712	Y	91.5	Very high	90	Very high	32 Å²	32	55 Å²	55	13%	0.125	28%	0.282	C	S	.	.			trans	-75.8	144.6	-179.7	-174.4	-123.1	0	0	0	111.5	I586 P625 D626 Y629 L709 T714 N719	I586-Y712 HydrophobicContact CG1-CD2 4.02Å; I586-Y712 HydrophobicContact CG1-CE2 3.9Å; I586-Y712 HydrophobicContact CG2-CE2 4.19Å; P625-Y712 HydrophobicContact CB-CE1 4.11Å; P625-Y712 HydrophobicContact CB-CE2 4.37Å; P625-Y712 VanDerWaalsContact CB-OH 3.25Å; P625-Y712 WeakPolarHBondContact CB-OH 3.46Å; P625-Y712 VanDerWaalsContact CG-OH 3.29Å; P625-Y712 WeakPolarHBondContact CG-OH 3.35Å; D626-Y712 PolarHBondContact N-OH 3.16Å; D626-Y712 WeakPolarHBondContact OD1-CE1 3.4Å; D626-Y712 VanDerWaalsContact OD1-CZ 3.32Å; D626-Y712 PolarHBondContact OD1-OH 3.34Å; Y629-Y712 AromaticContact CD2-CD1 3.91Å; Y629-Y712 HydrophobicContact CD2-CD1 3.91Å; Y629-Y712 HydrophobicContact CG-CD1 4.17Å; L709-Y712 HydrophobicContact CD2-CD1 3.69Å; L709-Y712 HydrophobicContact CD2-CD2 4.29Å; L709-Y712 HydrophobicContact CD2-CE1 4.28Å; L709-Y712 HydrophobicContact CD2-CG 3.68Å; L709-Y712 VanDerWaalsContact O-CB 3.28Å; L709-Y712 WeakPolarHBondContact O-CB 3.49Å; L709-Y712 PolarHBondContact O-N 2.87Å; Y712-T714 HydrophobicContact CD1-CG2 4.17Å; Y712-T714 HydrophobicContact CE1-CG2 4.16Å; Y712-N719 HydrophobicContact CE2-CB 4.41Å; Y712-N719 WeakPolarHBondContact CE2-ND2 3.5Å; Y712-N719 WeakPolarHBondContact OH-CB 3.22Å; Y712-N719 PolarHBondContact OH-ND2 3.4Å
713	Q	91.2	Very high	90.6	Very high	143 Å²	143	53.8 Å²	53.8	67%	0.668	28%	0.277	S	S	*	.			trans	-113.2	111.3	176.2	-173.1	178.8	8.8	0	0	109.1	V716 N719	Q713-V716 HydrophobicContact CB-CG2 4.37Å; Q713-V716 HydrophobicContact CG-CG2 3.89Å; Q713-N719 PolarHBondContact O-ND2 3.36Å
714	T	91.5	Very high	91.4	Very high	66 Å²	66	48.7 Å²	48.7	41%	0.405	25%	0.254	S	S	.	.	S	Bend	trans	-72.4	162.6	174.5	52.8	0	0	0	0	112	D626 Y629 Y712 V716	D626-T714 HydrophobicContact CB-CG2 4.49Å; D626-T714 WeakPolarHBondContact OD1-CA 3.48Å; Y629-T714 HydrophobicContact CD1-CG2 3.45Å; Y629-T714 VanDerWaalsContact CD1-CG2 3.45Å; Y629-T714 HydrophobicContact CE1-CG2 3.82Å; Y629-T714 HydrophobicContact CG-CG2 3.93Å; Y712-T714 HydrophobicContact CD1-CG2 4.17Å; Y712-T714 HydrophobicContact CE1-CG2 4.16Å; T714-V716 VanDerWaalsContact C-N 3.29Å; T714-V716 PolarHBondContact O-N 3.13Å
715	G	91.2	Very high	92	Very high	23 Å²	23	48.1 Å²	48.1	24%	0.237	25%	0.252	C	S	.	.	S	Bend	trans	71.9	18.6	177.8	0	0	0	0	0	114.6	D626 F756	D626-G715 PolarHBondContact OD2-N 3.09Å; G715-F756 WeakPolarHBondContact O-CE1 3.26Å
716	V	94.1	Very high	92.4	Very high	40 Å²	40	48.1 Å²	48.1	24%	0.242	25%	0.252	C	S	.	.			trans	-106.8	106.1	177.2	176.5	0	0	0	0	109.4	H624 Q713 T714 E718 N719	H624-V716 PolarHBondContact NE2-O 3.45Å; Q713-V716 HydrophobicContact CB-CG2 4.37Å; Q713-V716 HydrophobicContact CG-CG2 3.89Å; T714-V716 VanDerWaalsContact C-N 3.29Å; T714-V716 PolarHBondContact O-N 3.13Å; V716-E718 HydrophobicContact CG1-CB 4.29Å; V716-E718 PolarHBondContact O-N 3.16Å; V716-E718 VanDerWaalsContact O-N 3.15Å; V716-N719 VanDerWaalsContact O-CB 3.23Å; V716-N719 WeakPolarHBondContact O-CB 3.39Å; V716-N719 PolarHBondContact O-N 3.35Å; V716-N719 PolarHBondContact O-ND2 2.94Å
717	L	93.1	Very high	92.9	Very high	7 Å²	7	45.2 Å²	45.2	4%	0.037	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-55.6	-36.9	-172.9	-171.1	78.2	0	0	0	112.8	N719 S720 M723 V724 F727 F756	L717-N719 PolarHBondContact O-N 2.7Å; L717-N719 VanDerWaalsContact O-N 3.09Å; L717-S720 PolarHBondContact O-N 3.04Å; L717-S720 VanDerWaalsContact O-N 3.16Å; L717-M723 HydrophobicContact CD1-CB 3.68Å; L717-M723 HydrophobicContact CG-CB 4.35Å; L717-V724 HydrophobicContact CD2-CG2 4.35Å; L717-V724 HydrophobicContact CG-CG2 4.14Å; L717-V724 WeakPolarHBondContact O-CG2 3.41Å; L717-F727 HydrophobicContact CD1-CD2 3.61Å; L717-F727 HydrophobicContact CD1-CE2 3.99Å; L717-F727 HydrophobicContact CD1-CG 4.16Å; L717-F727 HydrophobicContact CD2-CB 4.14Å; L717-F727 HydrophobicContact CD2-CG 4.41Å; L717-F756 HydrophobicContact CB-CD1 4.34Å; L717-F756 HydrophobicContact CB-CE1 3.96Å; L717-F756 HydrophobicContact CB-CZ 4.43Å; L717-F756 HydrophobicContact CD1-CB 4.48Å; L717-F756 HydrophobicContact CD1-CD1 3.9Å; L717-F756 HydrophobicContact CD1-CD2 4.11Å; L717-F756 HydrophobicContact CD1-CE1 4.09Å; L717-F756 HydrophobicContact CD1-CE2 4.29Å; L717-F756 HydrophobicContact CD1-CG 3.93Å; L717-F756 HydrophobicContact CD1-CZ 4.3Å
718	E	94.4	Very high	93.4	Very high	126 Å²	126	38.4 Å²	38.4	59%	0.589	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-63.1	-12.5	-179.4	-69.1	68.2	-153	0	0	113.6	V716 S720 V724	V716-E718 HydrophobicContact CG1-CB 4.29Å; V716-E718 PolarHBondContact O-N 3.16Å; V716-E718 VanDerWaalsContact O-N 3.15Å; E718-S720 VanDerWaalsContact C-N 3.28Å; E718-S720 PolarHBondContact O-N 3.08Å; E718-V724 HydrophobicContact CG-CG2 4.49Å
719	N	94.9	Very high	93.8	Very high	28 Å²	28	35.4 Å²	35.4	15%	0.15	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-67.5	-24.3	173.4	-69.7	-23.8	0	0	0	113	S584 I586 P625 Y712 Q713 V716 L717	S584-N719 VanDerWaalsContact CB-O 3.26Å; S584-N719 WeakPolarHBondContact CB-O 3.32Å; S584-N719 PolarHBondContact OG-O 3.25Å; I586-N719 HydrophobicContact CG2-CB 4.46Å; P625-N719 HydrophobicContact CG-CB 4.43Å; Y712-N719 HydrophobicContact CE2-CB 4.41Å; Y712-N719 WeakPolarHBondContact CE2-ND2 3.5Å; Y712-N719 WeakPolarHBondContact OH-CB 3.22Å; Y712-N719 PolarHBondContact OH-ND2 3.4Å; Q713-N719 PolarHBondContact O-ND2 3.36Å; V716-N719 VanDerWaalsContact O-CB 3.23Å; V716-N719 WeakPolarHBondContact O-CB 3.39Å; V716-N719 PolarHBondContact O-N 3.35Å; V716-N719 PolarHBondContact O-ND2 2.94Å; L717-N719 PolarHBondContact O-N 2.7Å; L717-N719 VanDerWaalsContact O-N 3.09Å
720	S	96.4	Very high	94	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.191	C	C	.	.			trans	-125.5	114.4	169.8	-175.9	0	0	0	0	112.7	Q587 N623 H624 L717 E718 K722 M723 V724	Q587-S720 PolarHBondContact NE2-OG 3.28Å; N623-S720 VanDerWaalsContact O-CB 3.23Å; N623-S720 WeakPolarHBondContact O-CB 3.47Å; N623-S720 PolarHBondContact O-OG 2.9Å; H624-S720 WeakPolarHBondContact CD2-CB 3.18Å; L717-S720 PolarHBondContact O-N 3.04Å; L717-S720 VanDerWaalsContact O-N 3.16Å; E718-S720 VanDerWaalsContact C-N 3.28Å; E718-S720 PolarHBondContact O-N 3.08Å; S720-K722 PolarHBondContact O-N 3.49Å; S720-K722 PolarHBondContact OG-N 3.19Å; S720-M723 PolarHBondContact O-N 3.08Å; S720-V724 PolarHBondContact O-N 3.16Å
721	P	96.5	Very high	94.5	Very high	5 Å²	5	32.3 Å²	32.3	3%	0.032	17%	0.17	C	C	.	.	H	α-helix	trans	-61	-23	170.9	-31.6	43.6	0	0	0	114.1	V581 R582 L725 L940	V581-P721 HydrophobicContact CG1-CB 3.7Å; R582-P721 WeakPolarHBondContact O-CB 3.46Å; R582-P721 WeakPolarHBondContact O-CG 3.49Å; P721-L725 WeakPolarHBondContact O-CB 3.42Å; P721-L725 VanDerWaalsContact O-CG 3.28Å; P721-L725 WeakPolarHBondContact O-CG 3.35Å; P721-L725 PolarHBondContact O-N 3.2Å; P721-L940 HydrophobicContact CB-CB 4.2Å; P721-L940 HydrophobicContact CB-CD1 4.06Å; P721-L940 HydrophobicContact CB-CD2 3.96Å; P721-L940 HydrophobicContact CB-CG 4.29Å; P721-L940 HydrophobicContact CG-CD2 3.94Å
722	K	97.1	Very high	94.9	Very high	1 Å²	1	26.5 Å²	26.5	0%	0.004	14%	0.138	C	C	.	.	H	α-helix	trans	-65.4	-44.2	170.4	-63.8	-177.6	77.2	178.6	0	110.2	V581 W622 N623 S720 L726 F834 A866 E871	V581-K722 HydrophobicContact CB-CG 4.24Å; V581-K722 HydrophobicContact CG1-CG 3.92Å; V581-K722 HydrophobicContact CG2-CG 4.42Å; W622-K722 VanDerWaalsContact O-CD 3.23Å; W622-K722 WeakPolarHBondContact O-CD 3.34Å; N623-K722 PolarHBondContact OD1-NZ 3.26Å; S720-K722 PolarHBondContact O-N 3.49Å; S720-K722 PolarHBondContact OG-N 3.19Å; K722-L726 VanDerWaalsContact O-CB 3.3Å; K722-L726 WeakPolarHBondContact O-CB 3.31Å; K722-L726 PolarHBondContact O-N 2.81Å; K722-F834 HydrophobicContact CB-CE1 4.41Å; K722-F834 HydrophobicContact CB-CE2 3.76Å; K722-F834 HydrophobicContact CB-CZ 3.58Å; K722-F834 WeakPolarHBondContact CE-O 3.34Å; K722-F834 PolarHBondContact NZ-O 3.16Å; K722-A866 HydrophobicContact CD-CB 4.5Å; K722-E871 IonicContact NZ-OE1 3.24Å; K722-E871 PolarHBondContact NZ-OE1 3.19Å; K722-E871 IonicContact NZ-OE2 3.3Å; K722-E871 PolarHBondContact NZ-OE2 3.45Å
723	M	97.1	Very high	95.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-68	-42.9	175.5	-65.7	-58.5	-170.9	0	0	112.6	H624 L717 S720 L725 L726 F727 T749 L752 I753 F834	H624-M723 HydrophobicContact CB-CE 4.27Å; H624-M723 HydrophobicContact CB-CG 4.42Å; L717-M723 HydrophobicContact CD1-CB 3.68Å; L717-M723 HydrophobicContact CG-CB 4.35Å; S720-M723 PolarHBondContact O-N 3.08Å; M723-L725 VanDerWaalsContact C-N 3.3Å; M723-L725 PolarHBondContact O-N 2.82Å; M723-L726 PolarHBondContact O-N 3.49Å; M723-L726 HydrophobicContact SD-CD2 3.97Å; M723-F727 WeakPolarHBondContact O-CD2 3.43Å; M723-F727 PolarHBondContact O-N 2.77Å; M723-T749 HydrophobicContact CE-CG2 3.88Å; M723-L752 HydrophobicContact CE-CD2 4.31Å; M723-I753 HydrophobicContact CE-CD1 4.14Å; M723-I753 HydrophobicContact CE-CG1 3.69Å; M723-I753 HydrophobicContact SD-CD1 4.24Å; M723-I753 HydrophobicContact SD-CG1 3.73Å; M723-F834 HydrophobicContact CE-CE1 4.14Å; M723-F834 HydrophobicContact CE-CE2 4.44Å; M723-F834 HydrophobicContact CE-CZ 3.7Å; M723-F834 HydrophobicContact CG-CZ 4.15Å; M723-F834 HydrophobicContact SD-CE1 4.42Å; M723-F834 HydrophobicContact SD-CE2 3.69Å; M723-F834 HydrophobicContact SD-CZ 3.46Å; M723-F834 WeakPolarHBondContact SD-CZ 3.38Å
724	V	97	Very high	95.2	Very high	7 Å²	7	18.1 Å²	18.1	4%	0.042	10%	0.1	C	C	.	.	H	α-helix	trans	-57.3	-43.1	175.6	176.4	0	0	0	0	111.8	L717 E718 S720 H728 Y937 L940	L717-V724 HydrophobicContact CD2-CG2 4.35Å; L717-V724 HydrophobicContact CG-CG2 4.14Å; L717-V724 WeakPolarHBondContact O-CG2 3.41Å; E718-V724 HydrophobicContact CG-CG2 4.49Å; S720-V724 PolarHBondContact O-N 3.16Å; V724-H728 WeakPolarHBondContact O-CB 3.45Å; V724-H728 PolarHBondContact O-N 3.15Å; V724-Y937 HydrophobicContact CG1-CD1 3.93Å; V724-Y937 HydrophobicContact CG1-CE1 3.4Å; V724-Y937 HydrophobicContact CG1-CE2 4.18Å; V724-L940 HydrophobicContact CB-CD1 4.05Å; V724-L940 HydrophobicContact CG1-CD1 3.73Å
725	L	96.9	Very high	95.1	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-69.5	-45.2	175.8	-71.6	170.7	0	0	0	111.7	I579 V581 P721 M723 F727 H728 L729 Y937 I941	I579-L725 HydrophobicContact CG2-CD1 4.22Å; V581-L725 HydrophobicContact CB-CD1 4.38Å; V581-L725 HydrophobicContact CG1-CD1 3.93Å; V581-L725 HydrophobicContact CG2-CD1 3.67Å; P721-L725 WeakPolarHBondContact O-CB 3.42Å; P721-L725 VanDerWaalsContact O-CG 3.28Å; P721-L725 WeakPolarHBondContact O-CG 3.35Å; P721-L725 PolarHBondContact O-N 3.2Å; M723-L725 VanDerWaalsContact C-N 3.3Å; M723-L725 PolarHBondContact O-N 2.82Å; L725-F727 PolarHBondContact O-N 3.17Å; L725-H728 PolarHBondContact O-N 2.81Å; L725-L729 VanDerWaalsContact O-CG 3.31Å; L725-L729 WeakPolarHBondContact O-CG 3.03Å; L725-L729 PolarHBondContact O-N 3.42Å; L725-Y937 HydrophobicContact CD2-CD2 4.04Å; L725-Y937 HydrophobicContact CD2-CG 4.3Å; L725-I941 HydrophobicContact CD1-CG1 4.33Å; L725-I941 HydrophobicContact CD2-CD1 4.34Å; L725-I941 HydrophobicContact CD2-CG1 4.48Å
726	L	97.5	Very high	95.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-53.9	-53.5	176.6	172.8	66.8	0	0	0	111.9	K722 M723 H728 L729 I730 V742 I753 V832 F834 L864	K722-L726 VanDerWaalsContact O-CB 3.3Å; K722-L726 WeakPolarHBondContact O-CB 3.31Å; K722-L726 PolarHBondContact O-N 2.81Å; M723-L726 PolarHBondContact O-N 3.49Å; M723-L726 HydrophobicContact SD-CD2 3.97Å; L726-H728 VanDerWaalsContact C-N 3.3Å; L726-H728 PolarHBondContact O-N 3.25Å; L726-L729 WeakPolarHBondContact O-CB 3.21Å; L726-L729 PolarHBondContact O-N 2.72Å; L726-L729 VanDerWaalsContact O-N 3.13Å; L726-I730 HydrophobicContact CD1-CD1 3.99Å; L726-I730 HydrophobicContact CD1-CG1 4.37Å; L726-I730 HydrophobicContact CG-CD1 3.95Å; L726-I730 WeakPolarHBondContact O-CG1 3.44Å; L726-I730 PolarHBondContact O-N 3.14Å; L726-V742 HydrophobicContact CD1-CB 4.47Å; L726-V742 HydrophobicContact CD1-CG1 3.79Å; L726-V742 HydrophobicContact CD1-CG2 3.76Å; L726-V742 HydrophobicContact CD2-CG1 4.35Å; L726-I753 HydrophobicContact CD2-CD1 3.57Å; L726-I753 HydrophobicContact CD2-CG1 3.83Å; L726-I753 HydrophobicContact CD2-CG2 4.42Å; L726-V832 HydrophobicContact CD1-CB 4.17Å; L726-V832 HydrophobicContact CD1-CG1 3.95Å; L726-V832 HydrophobicContact CD1-CG2 4.12Å; L726-F834 HydrophobicContact CB-CD2 4.2Å; L726-F834 HydrophobicContact CB-CE2 3.98Å; L726-F834 HydrophobicContact CD1-CD2 4.39Å; L726-F834 HydrophobicContact CD2-CD2 3.81Å; L726-F834 HydrophobicContact CD2-CE2 3.77Å; L726-F834 HydrophobicContact CG-CD2 4.35Å; L726-F834 HydrophobicContact CG-CE2 4.41Å; L726-L864 HydrophobicContact CB-CD1 4.33Å
727	F	96.8	Very high	94.9	Very high	4 Å²	4	21 Å²	21	2%	0.018	11%	0.107	C	C	.	.	H	α-helix	trans	-64.7	-34.5	-178.3	-87.5	-93.2	0	0	0	112.1	L717 M723 L725 I730 E731 I753 F756 L757 R760	L717-F727 HydrophobicContact CD1-CD2 3.61Å; L717-F727 HydrophobicContact CD1-CE2 3.99Å; L717-F727 HydrophobicContact CD1-CG 4.16Å; L717-F727 HydrophobicContact CD2-CB 4.14Å; L717-F727 HydrophobicContact CD2-CG 4.41Å; M723-F727 WeakPolarHBondContact O-CD2 3.43Å; M723-F727 PolarHBondContact O-N 2.77Å; L725-F727 PolarHBondContact O-N 3.17Å; F727-I730 PolarHBondContact O-N 2.95Å; F727-E731 VanDerWaalsContact O-CB 3.29Å; F727-E731 WeakPolarHBondContact O-CB 3.28Å; F727-E731 WeakPolarHBondContact O-CG 3.29Å; F727-E731 PolarHBondContact O-N 3.35Å; F727-I753 HydrophobicContact CE2-CG2 4.46Å; F727-I753 HydrophobicContact CZ-CG2 4.33Å; F727-F756 HydrophobicContact CE1-CB 4.1Å; F727-F756 HydrophobicContact CE2-CB 3.7Å; F727-F756 HydrophobicContact CE2-CG 4.41Å; F727-F756 HydrophobicContact CZ-CB 3.33Å; F727-F756 HydrophobicContact CZ-CG 4.45Å; F727-L757 HydrophobicContact CE1-CD2 3.76Å; F727-L757 HydrophobicContact CE1-CG 3.89Å; F727-L757 HydrophobicContact CZ-CD2 4.27Å; F727-L757 HydrophobicContact CZ-CG 3.94Å; F727-R760 VanDerWaalsContact CD1-CD 3.49Å
728	H	95.8	Very high	94.9	Very high	3 Å²	3	21.5 Å²	21.5	1%	0.014	11%	0.109	C	C	.	.	H	α-helix	trans	-67.1	-40.1	172.1	-179	74.9	0	0	0	112.9	V724 L725 L726 I730 E731 E732 A933 K936 Y937	V724-H728 WeakPolarHBondContact O-CB 3.45Å; V724-H728 PolarHBondContact O-N 3.15Å; L725-H728 PolarHBondContact O-N 2.81Å; L726-H728 VanDerWaalsContact C-N 3.3Å; L726-H728 PolarHBondContact O-N 3.25Å; H728-I730 VanDerWaalsContact C-N 3.33Å; H728-I730 PolarHBondContact O-N 3.12Å; H728-E731 PolarHBondContact O-N 3.32Å; H728-E732 WeakPolarHBondContact CE1-CG 3.26Å; H728-E732 IonicContact CE1-OE1 2.77Å; H728-E732 PolarHBondContact CE1-OE1 2.9Å; H728-E732 IonicContact ND1-OE1 3.21Å; H728-E732 PolarHBondContact O-N 3.03Å; H728-A933 PolarHBondContact NE2-N 3.17Å; H728-K936 WeakPolarHBondContact ND1-CD 3.03Å; H728-K936 PolarHBondContact ND1-NZ 3.43Å; H728-Y937 HydrophobicContact CB-CE2 3.67Å; H728-Y937 AromaticContact CG-CE2 3.62Å; H728-Y937 AromaticContact ND1-CE2 3.92Å
729	L	96.5	Very high	95	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-61.9	-41.5	174.2	-67.5	174.9	0	0	0	111	I579 L725 L726 S733 V832 Y862 L864 V929 A933	I579-L729 HydrophobicContact CD1-CD1 4.49Å; L725-L729 VanDerWaalsContact O-CG 3.31Å; L725-L729 WeakPolarHBondContact O-CG 3.03Å; L725-L729 PolarHBondContact O-N 3.42Å; L726-L729 WeakPolarHBondContact O-CB 3.21Å; L726-L729 PolarHBondContact O-N 2.72Å; L726-L729 VanDerWaalsContact O-N 3.13Å; L729-S733 WeakPolarHBondContact O-CB 3.18Å; L729-S733 PolarHBondContact O-N 3.05Å; L729-S733 VanDerWaalsContact O-N 3.12Å; L729-S733 PolarHBondContact O-OG 3.08Å; L729-V832 HydrophobicContact CD1-CG2 4.04Å; L729-Y862 HydrophobicContact CD1-CD2 4.03Å; L729-Y862 HydrophobicContact CD1-CG 3.93Å; L729-Y862 HydrophobicContact CD2-CD1 4.33Å; L729-Y862 HydrophobicContact CD2-CD2 4.4Å; L729-Y862 HydrophobicContact CD2-CE1 4.28Å; L729-Y862 HydrophobicContact CD2-CE2 4.34Å; L729-Y862 HydrophobicContact CD2-CG 4.37Å; L729-L864 HydrophobicContact CD1-CD2 4.36Å; L729-V929 HydrophobicContact CD2-CG1 3.65Å; L729-A933 HydrophobicContact CD2-CB 4.5Å
730	I	96	Very high	95	Very high	1 Å²	1	15 Å²	15	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-63.7	-52.9	173.8	-64.3	165.9	0	0	0	110.3	L726 F727 H728 E732 S733 V734 I740 V742 W776 L811	L726-I730 HydrophobicContact CD1-CD1 3.99Å; L726-I730 HydrophobicContact CD1-CG1 4.37Å; L726-I730 HydrophobicContact CG-CD1 3.95Å; L726-I730 WeakPolarHBondContact O-CG1 3.44Å; L726-I730 PolarHBondContact O-N 3.14Å; F727-I730 PolarHBondContact O-N 2.95Å; H728-I730 VanDerWaalsContact C-N 3.33Å; H728-I730 PolarHBondContact O-N 3.12Å; I730-E732 PolarHBondContact O-N 2.99Å; I730-S733 PolarHBondContact O-N 2.86Å; I730-S733 VanDerWaalsContact O-N 3.16Å; I730-V734 HydrophobicContact CG2-CG2 4.4Å; I730-V734 WeakPolarHBondContact O-CG2 3.4Å; I730-V734 PolarHBondContact O-N 3Å; I730-I740 HydrophobicContact CG1-CD1 4.19Å; I730-V742 HydrophobicContact CD1-CG2 4.31Å; I730-W776 HydrophobicContact CG2-CH2 3.83Å; I730-W776 HydrophobicContact CG2-CZ2 3.88Å; I730-L811 HydrophobicContact CD1-CD1 4.25Å; I730-L811 HydrophobicContact CD1-CD2 4.17Å; I730-L811 HydrophobicContact CG1-CD1 4.41Å
731	E	94.1	Very high	95	Very high	38 Å²	38	15 Å²	15	18%	0.178	8%	0.077	C	C	.	.	H	α-helix	trans	-55.1	-47.5	-176.6	-80.3	170.4	-159.5	0	0	112.5	F727 H728 K735 R760 P763	F727-E731 VanDerWaalsContact O-CB 3.29Å; F727-E731 WeakPolarHBondContact O-CB 3.28Å; F727-E731 WeakPolarHBondContact O-CG 3.29Å; F727-E731 PolarHBondContact O-N 3.35Å; H728-E731 PolarHBondContact O-N 3.32Å; E731-K735 VanDerWaalsContact O-CE 3.27Å; E731-K735 WeakPolarHBondContact O-CE 3.47Å; E731-K735 VanDerWaalsContact O-CG 3.28Å; E731-K735 WeakPolarHBondContact O-CG 3.38Å; E731-K735 PolarHBondContact O-N 3.04Å; E731-R760 IonicContact OE1-CZ 3.51Å; E731-R760 IonicContact OE1-NE 3.34Å; E731-R760 PolarHBondContact OE1-NE 2.89Å; E731-R760 IonicContact OE1-NH2 3.38Å; E731-R760 PolarHBondContact OE1-NH2 3.39Å; E731-P763 HydrophobicContact CB-CG 4.35Å; E731-P763 HydrophobicContact CG-CG 4.3Å
732	E	94.4	Very high	95	Very high	31 Å²	31	14.7 Å²	14.7	15%	0.145	8%	0.076	C	C	.	.	H	α-helix	trans	-77.1	-28.9	179	-55.4	-53.4	148.3	0	0	113.1	H728 I730 K735 L736 V929 L932	H728-E732 WeakPolarHBondContact CE1-CG 3.26Å; H728-E732 IonicContact CE1-OE1 2.77Å; H728-E732 PolarHBondContact CE1-OE1 2.9Å; H728-E732 IonicContact ND1-OE1 3.21Å; H728-E732 PolarHBondContact O-N 3.03Å; I730-E732 PolarHBondContact O-N 2.99Å; E732-K735 PolarHBondContact O-N 3.28Å; E732-K735 IonicContact OE1-NZ 2.71Å; E732-K735 PolarHBondContact OE1-NZ 3.44Å; E732-K735 WeakPolarHBondContact OE2-CD 3.32Å; E732-K735 IonicContact OE2-NZ 3.73Å; E732-K735 PolarHBondContact OE2-NZ 3.02Å; E732-L736 WeakPolarHBondContact O-CG 3.47Å; E732-L736 PolarHBondContact O-N 3.08Å; E732-V929 HydrophobicContact CB-CB 4.4Å; E732-V929 HydrophobicContact CB-CG1 3.99Å; E732-V929 HydrophobicContact CB-CG2 3.91Å; E732-L932 HydrophobicContact CG-CD1 4.18Å
733	S	94.3	Very high	94.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-64.9	-43.8	175.7	-63.9	0	0	0	0	112	L729 I730 K735 L736 G737 D738 R830	L729-S733 WeakPolarHBondContact O-CB 3.18Å; L729-S733 PolarHBondContact O-N 3.05Å; L729-S733 VanDerWaalsContact O-N 3.12Å; L729-S733 PolarHBondContact O-OG 3.08Å; I730-S733 PolarHBondContact O-N 2.86Å; I730-S733 VanDerWaalsContact O-N 3.16Å; S733-K735 PolarHBondContact O-N 3.37Å; S733-L736 PolarHBondContact O-N 3.32Å; S733-L736 VanDerWaalsContact O-N 3.15Å; S733-G737 PolarHBondContact O-N 3.02Å; S733-D738 PolarHBondContact O-N 3.1Å; S733-D738 VanDerWaalsContact O-N 3.11Å; S733-R830 WeakPolarHBondContact OG-CD 3.35Å
734	V	92.8	Very high	94.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-65.5	-38.7	178.3	176.4	0	0	0	0	111.6	I730 L736 G737 P763 L765 W776 W810	I730-V734 HydrophobicContact CG2-CG2 4.4Å; I730-V734 WeakPolarHBondContact O-CG2 3.4Å; I730-V734 PolarHBondContact O-N 3Å; V734-L736 PolarHBondContact O-N 3.32Å; V734-G737 PolarHBondContact O-N 2.59Å; V734-P763 HydrophobicContact CB-CB 4.42Å; V734-P763 HydrophobicContact CB-CG 4.18Å; V734-P763 HydrophobicContact CG1-CB 4.21Å; V734-P763 HydrophobicContact CG1-CG 4.28Å; V734-L765 HydrophobicContact CG1-CD2 3.67Å; V734-W776 HydrophobicContact CG2-CH2 3.92Å; V734-W776 HydrophobicContact CG2-CZ2 4.44Å; V734-W810 HydrophobicContact CG1-CG 4.36Å; V734-W810 HydrophobicContact CG2-CB 3.99Å
735	K	91	Very high	94.5	Very high	82 Å²	82	15.4 Å²	15.4	36%	0.357	8%	0.079	S	C	.	.	H	α-helix	trans	-61.6	-24.7	174.2	-68.1	170	-151.1	168.9	0	113.5	E731 E732 S733 P763 P766	E731-K735 VanDerWaalsContact O-CE 3.27Å; E731-K735 WeakPolarHBondContact O-CE 3.47Å; E731-K735 VanDerWaalsContact O-CG 3.28Å; E731-K735 WeakPolarHBondContact O-CG 3.38Å; E731-K735 PolarHBondContact O-N 3.04Å; E732-K735 PolarHBondContact O-N 3.28Å; E732-K735 IonicContact OE1-NZ 2.71Å; E732-K735 PolarHBondContact OE1-NZ 3.44Å; E732-K735 WeakPolarHBondContact OE2-CD 3.32Å; E732-K735 IonicContact OE2-NZ 3.73Å; E732-K735 PolarHBondContact OE2-NZ 3.02Å; S733-K735 PolarHBondContact O-N 3.37Å; K735-P763 HydrophobicContact CG-CB 3.84Å; K735-P766 WeakPolarHBondContact O-CD 3.12Å; K735-P766 WeakPolarHBondContact O-CG 3.33Å
736	L	90.4	Very high	94.3	Very high	88 Å²	88	16 Å²	16	46%	0.461	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-4.7	174.4	-66	176.5	0	0	0	113.6	E732 S733 V734 D738 V929	E732-L736 WeakPolarHBondContact O-CG 3.47Å; E732-L736 PolarHBondContact O-N 3.08Å; S733-L736 PolarHBondContact O-N 3.32Å; S733-L736 VanDerWaalsContact O-N 3.15Å; V734-L736 PolarHBondContact O-N 3.32Å; L736-D738 VanDerWaalsContact C-N 3.34Å; L736-V929 HydrophobicContact CD1-CG2 3.55Å
737	G	90.4	Very high	94.1	Very high	20 Å²	20	17.1 Å²	17.1	21%	0.206	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	30.6	-173.3	0	0	0	0	0	113.2	S733 V734 K857	S733-G737 PolarHBondContact O-N 3.02Å; V734-G737 PolarHBondContact O-N 2.59Å; G737-K857 PolarHBondContact O-NZ 2.76Å
738	D	93.4	Very high	93.9	Very high	16 Å²	16	17.5 Å²	17.5	9%	0.086	9%	0.092	C	C	.	.			trans	-103	129.7	176.5	-79.2	-8.9	0	0	0	111	S733 L736 N829 R830 K857	S733-D738 PolarHBondContact O-N 3.1Å; S733-D738 VanDerWaalsContact O-N 3.11Å; L736-D738 VanDerWaalsContact C-N 3.34Å; D738-N829 VanDerWaalsContact CB-OD1 3.27Å; D738-N829 WeakPolarHBondContact CB-OD1 3.45Å; D738-N829 PolarHBondContact OD1-ND2 2.78Å; D738-N829 PolarHBondContact OD1-OD1 3.46Å; D738-N829 VanDerWaalsContact OD1-OD1 3.13Å; D738-N829 PolarHBondContact OD2-ND2 2.77Å; D738-R830 HydrophobicContact CB-CG 4.36Å; D738-R830 IonicContact OD2-CZ 3.49Å; D738-R830 IonicContact OD2-NE 2.95Å; D738-R830 PolarHBondContact OD2-NE 2.79Å; D738-R830 IonicContact OD2-NH2 3.68Å; D738-R830 PolarHBondContact OD2-NH2 3.4Å; D738-K857 IonicContact OD1-NZ 3.48Å; D738-K857 PolarHBondContact OD1-NZ 3.19Å
739	K	95.2	Very high	93.9	Very high	17 Å²	17	17.4 Å²	17.4	7%	0.074	9%	0.091	C	C	.	.			trans	-82.1	137.5	173.6	-64.5	-165.2	-174.8	-166.6	0	110	F801 N806 T809 W810 A828 N829 R830	K739-F801 HydrophobicContact CB-CE2 4.42Å; K739-F801 HydrophobicContact CB-CZ 3.86Å; K739-F801 HydrophobicContact CD-CE1 4.42Å; K739-F801 HydrophobicContact CD-CE2 4.08Å; K739-F801 HydrophobicContact CD-CZ 4.05Å; K739-F801 PolarHBondContact NZ-O 3.41Å; K739-N806 VanDerWaalsContact CE-O 3.31Å; K739-N806 WeakPolarHBondContact CE-O 3.46Å; K739-N806 PolarHBondContact NZ-O 3.05Å; K739-T809 WeakPolarHBondContact CD-O 3.24Å; K739-T809 WeakPolarHBondContact CE-O 3.27Å; K739-T809 PolarHBondContact NZ-O 2.91Å; K739-W810 CarbonylContact C-O 3.5Å; K739-W810 VanDerWaalsContact CA-O 3.31Å; K739-W810 WeakPolarHBondContact CA-O 3.38Å; K739-W810 HydrophobicContact CG-CE3 3.88Å; K739-W810 HydrophobicContact CG-CZ3 4.24Å; K739-A828 WeakPolarHBondContact O-CA 3.39Å; K739-N829 PolarHBondContact O-N 3.44Å; K739-R830 PolarHBondContact O-N 2.99Å
740	I	96.1	Very high	93.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	136.3	-169	-175.5	165.3	0	0	0	111.8	I730 W810 L811 F812 R830 V832	I730-I740 HydrophobicContact CG1-CD1 4.19Å; I740-W810 PolarHBondContact N-O 3.02Å; I740-L811 HydrophobicContact CG2-CB 4.31Å; I740-L811 HydrophobicContact CG2-CD1 3.86Å; I740-L811 WeakPolarHBondContact O-CA 3.27Å; I740-F812 PolarHBondContact O-N 3.14Å; I740-R830 WeakPolarHBondContact CA-O 3.34Å; I740-R830 HydrophobicContact CB-CB 4.16Å; I740-R830 HydrophobicContact CD1-CB 4.3Å; I740-R830 HydrophobicContact CG1-CB 4Å; I740-V832 HydrophobicContact CD1-CG2 4.06Å
741	L	96	Very high	93.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	145.5	168	-51.3	-172.9	0	0	0	110.1	F743 F801 F812 L814 L825 A828 R830 V831 V832 V850	L741-F743 HydrophobicContact CB-CD2 4.44Å; L741-F743 HydrophobicContact CB-CE2 3.95Å; L741-F743 HydrophobicContact CD1-CE2 3.8Å; L741-F743 HydrophobicContact CD1-CZ 3.89Å; L741-F801 HydrophobicContact CD2-CE1 3.75Å; L741-F801 HydrophobicContact CD2-CZ 3.82Å; L741-F812 WeakPolarHBondContact CA-O 3.24Å; L741-F812 HydrophobicContact CD2-CB 3.63Å; L741-F812 HydrophobicContact CD2-CD1 4.47Å; L741-F812 HydrophobicContact CD2-CG 4.43Å; L741-L814 HydrophobicContact CB-CD1 4.1Å; L741-L814 HydrophobicContact CD1-CD1 4.06Å; L741-L814 HydrophobicContact CD2-CD1 4.01Å; L741-L814 HydrophobicContact CG-CD1 4.28Å; L741-L825 HydrophobicContact CD1-CB 3.96Å; L741-L825 HydrophobicContact CD1-CD1 3.69Å; L741-L825 HydrophobicContact CD1-CG 4.46Å; L741-L825 HydrophobicContact CD2-CD1 4.3Å; L741-A828 HydrophobicContact CD1-CB 4.32Å; L741-A828 HydrophobicContact CD2-CB 3.67Å; L741-A828 HydrophobicContact CG-CB 3.62Å; L741-R830 PolarHBondContact N-O 3.29Å; L741-V831 HydrophobicContact CB-CG2 4.4Å; L741-V831 HydrophobicContact CD1-CG2 4.34Å; L741-V831 HydrophobicContact CG-CG2 4.49Å; L741-V831 CarbonylContact O-C 3.54Å; L741-V831 WeakPolarHBondContact O-CA 3.31Å; L741-V832 PolarHBondContact O-N 2.81Å; L741-V850 HydrophobicContact CD1-CG2 3.28Å; L741-V850 HydrophobicContact CG-CG2 4.12Å
742	V	96.6	Very high	94	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	120.8	170.5	-179.5	0	0	0	0	108.5	L726 I730 I753 L811 F812 L813 L814 V832	L726-V742 HydrophobicContact CD1-CB 4.47Å; L726-V742 HydrophobicContact CD1-CG1 3.79Å; L726-V742 HydrophobicContact CD1-CG2 3.76Å; L726-V742 HydrophobicContact CD2-CG1 4.35Å; I730-V742 HydrophobicContact CD1-CG2 4.31Å; V742-I753 HydrophobicContact CG1-CD1 4.49Å; V742-L811 HydrophobicContact CB-CD1 4.45Å; V742-L811 HydrophobicContact CG2-CD1 3.61Å; V742-F812 PolarHBondContact N-O 3.2Å; V742-L813 HydrophobicContact CB-CD2 3.96Å; V742-L813 HydrophobicContact CG1-CD2 4.45Å; V742-L813 HydrophobicContact CG2-CD2 4.37Å; V742-L814 PolarHBondContact O-N 3.04Å; V742-V832 HydrophobicContact CG2-CB 4.34Å
743	F	94.9	Very high	94.1	Very high	1 Å²	1	15.8 Å²	15.8	0%	0.004	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	133.2	176.2	-66.6	-83.6	0	0	0	110.6	L741 L814 V831 V832 F834 A846	L741-F743 HydrophobicContact CB-CD2 4.44Å; L741-F743 HydrophobicContact CB-CE2 3.95Å; L741-F743 HydrophobicContact CD1-CE2 3.8Å; L741-F743 HydrophobicContact CD1-CZ 3.89Å; F743-L814 WeakPolarHBondContact CA-O 3.46Å; F743-L814 HydrophobicContact CD1-CB 3.52Å; F743-L814 HydrophobicContact CD1-CD1 4.34Å; F743-L814 HydrophobicContact CD1-CG 4.49Å; F743-L814 HydrophobicContact CE1-CB 3.6Å; F743-L814 HydrophobicContact CE1-CD1 3.72Å; F743-L814 HydrophobicContact CE1-CD2 4.47Å; F743-L814 HydrophobicContact CE1-CG 4.12Å; F743-L814 HydrophobicContact CE2-CD1 4.38Å; F743-L814 HydrophobicContact CG-CB 4.33Å; F743-L814 HydrophobicContact CZ-CB 4.45Å; F743-L814 HydrophobicContact CZ-CD1 3.75Å; F743-V831 HydrophobicContact CD2-CG1 3.6Å; F743-V831 HydrophobicContact CE2-CG1 3.62Å; F743-V832 PolarHBondContact N-O 2.69Å; F743-F834 VanDerWaalsContact O-CB 3.24Å; F743-F834 WeakPolarHBondContact O-CB 3.43Å; F743-F834 PolarHBondContact O-N 2.78Å; F743-A846 HydrophobicContact CD1-CB 3.9Å; F743-A846 HydrophobicContact CD2-CB 4.05Å; F743-A846 HydrophobicContact CE1-CB 3.74Å; F743-A846 HydrophobicContact CE2-CB 3.9Å; F743-A846 HydrophobicContact CG-CB 4.04Å; F743-A846 HydrophobicContact CZ-CB 3.74Å
744	S	94.9	Very high	94.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	159.6	167.1	174.3	0	0	0	0	109.3	S746 L814 T816 D835	S744-S746 PolarHBondContact OG-N 3.11Å; S744-L814 PolarHBondContact N-O 3.18Å; S744-T816 VanDerWaalsContact C-OG1 3.25Å; S744-T816 WeakPolarHBondContact O-CB 3.45Å; S744-T816 PolarHBondContact O-N 2.96Å; S744-T816 PolarHBondContact O-OG1 3.16Å; S744-D835 VanDerWaalsContact CA-OD1 3.28Å; S744-D835 WeakPolarHBondContact CA-OD1 3.41Å; S744-D835 WeakPolarHBondContact CB-OD2 3.5Å; S744-D835 PolarHBondContact OG-OD2 3.07Å
745	Q	91.1	Very high	94.2	Very high	22 Å²	22	21 Å²	21	10%	0.103	11%	0.114	C	C	.	.	S	Bend	trans	-77.4	-33.6	167.6	-54.1	-46.4	-52.1	0	0	112.2	T816 D835	Q745-T816 PolarHBondContact NE2-OG1 3.07Å; Q745-D835 WeakPolarHBondContact CG-OD1 3.41Å; Q745-D835 PolarHBondContact N-OD1 3.41Å; Q745-D835 PolarHBondContact N-OD2 3.39Å
746	S	92.1	Very high	94.4	Very high	12 Å²	12	17.3 Å²	17.3	8%	0.084	10%	0.098	C	C	.	.			trans	-98.1	127	-167.4	161.4	0	0	0	0	112.9	E26 S744 S748 T749 L750	E26-S746 WeakPolarHBondContact OE1-CA 3.17Å; S744-S746 PolarHBondContact OG-N 3.11Å; S746-S748 PolarHBondContact OG-N 2.71Å; S746-T749 WeakPolarHBondContact CB-OG1 3.29Å; S746-T749 WeakPolarHBondContact O-CB 3.36Å; S746-T749 PolarHBondContact O-N 2.91Å; S746-T749 PolarHBondContact OG-N 3.31Å; S746-T749 VanDerWaalsContact OG-N 3.16Å; S746-T749 PolarHBondContact OG-OG1 2.83Å; S746-T749 VanDerWaalsContact OG-OG1 3.08Å; S746-L750 PolarHBondContact O-N 3.01Å
747	L	93.1	Very high	94.6	Very high	25 Å²	25	13.1 Å²	13.1	13%	0.131	8%	0.076	C	C	.	.	H	α-helix	trans	-65.1	-42.3	175.3	-66	176.9	0	0	0	111.9	E26 T749 L750 A751 D786	E26-L747 HydrophobicContact CG-CD1 4.32Å; E26-L747 WeakPolarHBondContact OE1-CG 3.32Å; E26-L747 PolarHBondContact OE1-N 2.81Å; L747-T749 PolarHBondContact O-N 3.13Å; L747-L750 HydrophobicContact CD2-CD1 4.44Å; L747-L750 WeakPolarHBondContact O-CA 3.42Å; L747-L750 WeakPolarHBondContact O-CB 3.27Å; L747-L750 PolarHBondContact O-N 3.28Å; L747-A751 PolarHBondContact O-N 3.05Å; L747-D786 HydrophobicContact CD2-CB 3.67Å
748	S	93.4	Very high	94.6	Very high	12 Å²	12	13.8 Å²	13.8	8%	0.084	8%	0.083	C	C	.	.	H	α-helix	trans	-57	-38.9	173.7	-19.5	0	0	0	0	111.7	S746 L750 A751 L752	S746-S748 PolarHBondContact OG-N 2.71Å; S748-L750 VanDerWaalsContact C-N 3.35Å; S748-L750 PolarHBondContact O-N 3.06Å; S748-A751 PolarHBondContact O-N 2.82Å; S748-L752 WeakPolarHBondContact O-CB 3.47Å; S748-L752 PolarHBondContact O-N 2.97Å
749	T	95.9	Very high	94.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.7	-37	175.6	-58	0	0	0	0	111.8	N623 M723 S746 L747 I753 F834	N623-T749 HydrophobicContact CB-CG2 4Å; N623-T749 PolarHBondContact ND2-OG1 3.19Å; M723-T749 HydrophobicContact CE-CG2 3.88Å; S746-T749 WeakPolarHBondContact CB-OG1 3.29Å; S746-T749 WeakPolarHBondContact O-CB 3.36Å; S746-T749 PolarHBondContact O-N 2.91Å; S746-T749 PolarHBondContact OG-N 3.31Å; S746-T749 VanDerWaalsContact OG-N 3.16Å; S746-T749 PolarHBondContact OG-OG1 2.83Å; S746-T749 VanDerWaalsContact OG-OG1 3.08Å; L747-T749 PolarHBondContact O-N 3.13Å; T749-I753 HydrophobicContact CG2-CD1 4.31Å; T749-I753 WeakPolarHBondContact O-CD1 3.34Å; T749-I753 VanDerWaalsContact O-CG1 3.27Å; T749-I753 WeakPolarHBondContact O-CG1 3.36Å; T749-I753 PolarHBondContact O-N 3.27Å; T749-F834 HydrophobicContact CG2-CD1 3.8Å; T749-F834 HydrophobicContact CG2-CE1 3.55Å; T749-F834 HydrophobicContact CG2-CZ 4.43Å
750	L	95.7	Very high	94.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-70.5	-41.2	175.3	-65.1	178.7	0	0	0	112.3	S746 L747 S748 L752 I753 E754 L813	S746-L750 PolarHBondContact O-N 3.01Å; L747-L750 HydrophobicContact CD2-CD1 4.44Å; L747-L750 WeakPolarHBondContact O-CA 3.42Å; L747-L750 WeakPolarHBondContact O-CB 3.27Å; L747-L750 PolarHBondContact O-N 3.28Å; S748-L750 VanDerWaalsContact C-N 3.35Å; S748-L750 PolarHBondContact O-N 3.06Å; L750-L752 PolarHBondContact O-N 3.48Å; L750-I753 HydrophobicContact CD2-CD1 4.42Å; L750-I753 WeakPolarHBondContact O-CB 3.33Å; L750-I753 PolarHBondContact O-N 2.64Å; L750-I753 VanDerWaalsContact O-N 3.14Å; L750-E754 PolarHBondContact O-N 3.17Å; L750-L813 HydrophobicContact CD2-CB 4.4Å
751	A	95.5	Very high	93.6	Very high	32 Å²	32	25.2 Å²	25.2	26%	0.264	13%	0.134	S	C	.	.	H	α-helix	trans	-59.8	-45.3	175.9	0	0	0	0	0	111.5	L747 S748 I753 E754 E755	L747-A751 PolarHBondContact O-N 3.05Å; S748-A751 PolarHBondContact O-N 2.82Å; A751-I753 VanDerWaalsContact C-N 3.29Å; A751-I753 PolarHBondContact O-N 3.42Å; A751-E754 WeakPolarHBondContact O-CA 3.49Å; A751-E754 WeakPolarHBondContact O-CB 3.5Å; A751-E754 PolarHBondContact O-N 3.45Å; A751-E755 PolarHBondContact O-N 3.17Å
752	L	96	Very high	93.1	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.021	14%	0.139	C	C	.	.	H	α-helix	trans	-63.4	-32.4	175.1	-176.3	62.9	0	0	0	112.8	H624 D626 V627 M723 S748 L750 E755 F756	H624-L752 HydrophobicContact CB-CD2 3.44Å; H624-L752 VanDerWaalsContact CB-CD2 3.44Å; D626-L752 HydrophobicContact CB-CD1 4.12Å; D626-L752 HydrophobicContact CB-CD2 3.91Å; V627-L752 HydrophobicContact CG2-CD2 3.67Å; M723-L752 HydrophobicContact CE-CD2 4.31Å; S748-L752 WeakPolarHBondContact O-CB 3.47Å; S748-L752 PolarHBondContact O-N 2.97Å; L750-L752 PolarHBondContact O-N 3.48Å; L752-E755 PolarHBondContact O-N 3.19Å; L752-F756 HydrophobicContact CD1-CD2 4.06Å; L752-F756 HydrophobicContact CD1-CE2 3.74Å; L752-F756 HydrophobicContact CD1-CZ 4.46Å; L752-F756 HydrophobicContact CD2-CE2 4.11Å; L752-F756 HydrophobicContact CG-CD2 3.9Å; L752-F756 HydrophobicContact CG-CE2 3.71Å; L752-F756 VanDerWaalsContact O-CD2 3.23Å; L752-F756 WeakPolarHBondContact O-CD2 3.44Å; L752-F756 PolarHBondContact O-N 3.02Å
753	I	96.7	Very high	92.3	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.9	-39.7	171.5	-69.7	161.3	0	0	0	110.9	M723 L726 F727 V742 T749 L750 A751 E755 L757 L813	M723-I753 HydrophobicContact CE-CD1 4.14Å; M723-I753 HydrophobicContact CE-CG1 3.69Å; M723-I753 HydrophobicContact SD-CD1 4.24Å; M723-I753 HydrophobicContact SD-CG1 3.73Å; L726-I753 HydrophobicContact CD2-CD1 3.57Å; L726-I753 HydrophobicContact CD2-CG1 3.83Å; L726-I753 HydrophobicContact CD2-CG2 4.42Å; F727-I753 HydrophobicContact CE2-CG2 4.46Å; F727-I753 HydrophobicContact CZ-CG2 4.33Å; V742-I753 HydrophobicContact CG1-CD1 4.49Å; T749-I753 HydrophobicContact CG2-CD1 4.31Å; T749-I753 WeakPolarHBondContact O-CD1 3.34Å; T749-I753 VanDerWaalsContact O-CG1 3.27Å; T749-I753 WeakPolarHBondContact O-CG1 3.36Å; T749-I753 PolarHBondContact O-N 3.27Å; L750-I753 HydrophobicContact CD2-CD1 4.42Å; L750-I753 WeakPolarHBondContact O-CB 3.33Å; L750-I753 PolarHBondContact O-N 2.64Å; L750-I753 VanDerWaalsContact O-N 3.14Å; A751-I753 VanDerWaalsContact C-N 3.29Å; A751-I753 PolarHBondContact O-N 3.42Å; I753-E755 VanDerWaalsContact C-N 3.35Å; I753-L757 HydrophobicContact CG2-CD1 3.89Å; I753-L757 HydrophobicContact CG2-CG 4.39Å; I753-L757 WeakPolarHBondContact O-CB 3.28Å; I753-L757 WeakPolarHBondContact O-CD1 3.47Å; I753-L757 WeakPolarHBondContact O-CG 3.37Å; I753-L757 PolarHBondContact O-N 3.43Å; I753-L813 HydrophobicContact CG2-CD1 4.01Å; I753-L813 HydrophobicContact CG2-CD2 3.74Å
754	E	95.6	Very high	91.1	Very high	24 Å²	24	31.7 Å²	31.7	11%	0.112	18%	0.176	C	C	.	.	H	α-helix	trans	-62.5	-40.2	173.2	-66.2	-172.7	107.1	0	0	112.2	L750 A751 L757 G758 R778 Y782 R784 L813	L750-E754 PolarHBondContact O-N 3.17Å; A751-E754 WeakPolarHBondContact O-CA 3.49Å; A751-E754 WeakPolarHBondContact O-CB 3.5Å; A751-E754 PolarHBondContact O-N 3.45Å; E754-L757 WeakPolarHBondContact O-CB 3.34Å; E754-L757 PolarHBondContact O-N 2.84Å; E754-G758 PolarHBondContact O-N 3Å; E754-R778 WeakPolarHBondContact OE1-CD 3.41Å; E754-R778 IonicContact OE1-NE 2.83Å; E754-Y782 WeakPolarHBondContact CB-OH 3.18Å; E754-Y782 HydrophobicContact CG-CE2 3.76Å; E754-Y782 WeakPolarHBondContact CG-OH 3.46Å; E754-Y782 VanDerWaalsContact OE1-CE2 3.3Å; E754-Y782 WeakPolarHBondContact OE1-CE2 3.42Å; E754-Y782 PolarHBondContact OE1-OH 3.4Å; E754-R784 VanDerWaalsContact CD-CD 3.46Å; E754-R784 WeakPolarHBondContact OE2-CD 3.21Å; E754-R784 IonicContact OE2-CZ 3.4Å; E754-R784 IonicContact OE2-NE 3.07Å; E754-R784 IonicContact OE2-NH1 2.63Å; E754-R784 PolarHBondContact OE2-NH1 3.11Å; E754-L813 HydrophobicContact CG-CD1 3.52Å
755	E	94.4	Very high	89.9	Confident	85 Å²	85	33.5 Å²	33.5	40%	0.397	19%	0.185	S	C	.	.	H	α-helix	trans	-64.4	-46.2	178.5	-153.7	-97.7	177.7	0	0	111.3	A751 L752 I753 L757 G758 K759	A751-E755 PolarHBondContact O-N 3.17Å; L752-E755 PolarHBondContact O-N 3.19Å; I753-E755 VanDerWaalsContact C-N 3.35Å; E755-L757 VanDerWaalsContact C-N 3.35Å; E755-L757 PolarHBondContact O-N 2.71Å; E755-G758 PolarHBondContact O-N 2.89Å; E755-K759 WeakPolarHBondContact O-CG 3.49Å; E755-K759 PolarHBondContact O-N 2.86Å; E755-K759 WeakPolarHBondContact OE1-CE 3.26Å; E755-K759 IonicContact OE1-NZ 2.66Å; E755-K759 PolarHBondContact OE1-NZ 3.47Å; E755-K759 WeakPolarHBondContact OE2-CE 3.31Å; E755-K759 IonicContact OE2-NZ 3.16Å; E755-K759 PolarHBondContact OE2-NZ 2.69Å
756	F	95.2	Very high	88.5	Confident	5 Å²	5	36.8 Å²	36.8	2%	0.022	21%	0.208	C	C	.	.	H	α-helix	trans	-65.5	-31.1	171	-79.1	-59.4	0	0	0	113.8	H624 G715 L717 F727 L752 R760	H624-F756 AromaticContact CD2-CE2 3.98Å; H624-F756 AromaticContact CE1-CZ 3.88Å; H624-F756 AromaticContact NE2-CE2 3.78Å; H624-F756 AromaticContact NE2-CZ 3.59Å; G715-F756 WeakPolarHBondContact O-CE1 3.26Å; L717-F756 HydrophobicContact CB-CD1 4.34Å; L717-F756 HydrophobicContact CB-CE1 3.96Å; L717-F756 HydrophobicContact CB-CZ 4.43Å; L717-F756 HydrophobicContact CD1-CB 4.48Å; L717-F756 HydrophobicContact CD1-CD1 3.9Å; L717-F756 HydrophobicContact CD1-CD2 4.11Å; L717-F756 HydrophobicContact CD1-CE1 4.09Å; L717-F756 HydrophobicContact CD1-CE2 4.29Å; L717-F756 HydrophobicContact CD1-CG 3.93Å; L717-F756 HydrophobicContact CD1-CZ 4.3Å; F727-F756 HydrophobicContact CE1-CB 4.1Å; F727-F756 HydrophobicContact CE2-CB 3.7Å; F727-F756 HydrophobicContact CE2-CG 4.41Å; F727-F756 HydrophobicContact CZ-CB 3.33Å; F727-F756 HydrophobicContact CZ-CG 4.45Å; L752-F756 HydrophobicContact CD1-CD2 4.06Å; L752-F756 HydrophobicContact CD1-CE2 3.74Å; L752-F756 HydrophobicContact CD1-CZ 4.46Å; L752-F756 HydrophobicContact CD2-CE2 4.11Å; L752-F756 HydrophobicContact CG-CD2 3.9Å; L752-F756 HydrophobicContact CG-CE2 3.71Å; L752-F756 VanDerWaalsContact O-CD2 3.23Å; L752-F756 WeakPolarHBondContact O-CD2 3.44Å; L752-F756 PolarHBondContact O-N 3.02Å; F756-R760 WeakPolarHBondContact O-CD 3.35Å; F756-R760 VanDerWaalsContact O-CG 3.23Å; F756-R760 WeakPolarHBondContact O-CG 3.22Å
757	L	94.2	Very high	87.1	Confident	0 Å²	0	40 Å²	40	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-67.6	-50.8	174.3	-77.1	162.6	0	0	0	111.1	F727 I753 E754 E755 K759 R760 W776 Y782 L811 L813	F727-L757 HydrophobicContact CE1-CD2 3.76Å; F727-L757 HydrophobicContact CE1-CG 3.89Å; F727-L757 HydrophobicContact CZ-CD2 4.27Å; F727-L757 HydrophobicContact CZ-CG 3.94Å; I753-L757 HydrophobicContact CG2-CD1 3.89Å; I753-L757 HydrophobicContact CG2-CG 4.39Å; I753-L757 WeakPolarHBondContact O-CB 3.28Å; I753-L757 WeakPolarHBondContact O-CD1 3.47Å; I753-L757 WeakPolarHBondContact O-CG 3.37Å; I753-L757 PolarHBondContact O-N 3.43Å; E754-L757 WeakPolarHBondContact O-CB 3.34Å; E754-L757 PolarHBondContact O-N 2.84Å; E755-L757 VanDerWaalsContact C-N 3.35Å; E755-L757 PolarHBondContact O-N 2.71Å; L757-K759 PolarHBondContact O-N 3.24Å; L757-R760 PolarHBondContact O-N 3.28Å; L757-W776 HydrophobicContact CB-CB 3.88Å; L757-W776 HydrophobicContact CB-CG 4.15Å; L757-W776 HydrophobicContact CD2-CB 4.29Å; L757-W776 HydrophobicContact CD2-CD2 3.59Å; L757-W776 HydrophobicContact CD2-CE3 4Å; L757-W776 HydrophobicContact CD2-CG 3.71Å; L757-W776 HydrophobicContact CD2-CZ2 4.38Å; L757-W776 WeakPolarHBondContact O-CB 3.31Å; L757-Y782 HydrophobicContact CB-CE1 4.41Å; L757-Y782 HydrophobicContact CD1-CD1 4.31Å; L757-Y782 HydrophobicContact CD1-CD2 4.38Å; L757-Y782 HydrophobicContact CD1-CE1 4.29Å; L757-Y782 HydrophobicContact CD1-CE2 4.41Å; L757-Y782 HydrophobicContact CD1-CG 4.33Å; L757-L811 HydrophobicContact CD1-CD2 3.61Å; L757-L811 HydrophobicContact CD2-CD2 3.82Å; L757-L811 HydrophobicContact CG-CD2 4.39Å; L757-L813 HydrophobicContact CD1-CD1 4.1Å
758	G	91.1	Very high	85.6	Confident	34 Å²	34	40.2 Å²	40.2	35%	0.351	25%	0.249	S	C	.	.	H	α-helix	trans	-63.4	-24.8	-179	0	0	0	0	0	114.3	E754 E755 K775	E754-G758 PolarHBondContact O-N 3Å; E755-G758 PolarHBondContact O-N 2.89Å; G758-K775 PolarHBondContact O-NZ 3.24Å
759	K	88.6	Confident	83.8	Confident	101 Å²	101	48.6 Å²	48.6	44%	0.439	29%	0.287	S	S	.	.	H	α-helix	trans	-72.5	-22.9	170.6	-74.3	171.5	177.9	171.7	0	113.8	E755 L757	E755-K759 WeakPolarHBondContact O-CG 3.49Å; E755-K759 PolarHBondContact O-N 2.86Å; E755-K759 WeakPolarHBondContact OE1-CE 3.26Å; E755-K759 IonicContact OE1-NZ 2.66Å; E755-K759 PolarHBondContact OE1-NZ 3.47Å; E755-K759 WeakPolarHBondContact OE2-CE 3.31Å; E755-K759 IonicContact OE2-NZ 3.16Å; E755-K759 PolarHBondContact OE2-NZ 2.69Å; L757-K759 PolarHBondContact O-N 3.24Å
760	R	88.8	Confident	81.9	Confident	76 Å²	76	52.6 Å²	52.6	29%	0.287	33%	0.328	S	S	.	.	S	Bend	trans	-106.2	157.6	-171.5	-67.7	172.8	96	85.5	-7.2	113.4	F727 E731 F756 L757 W776	F727-R760 VanDerWaalsContact CD1-CD 3.49Å; E731-R760 IonicContact OE1-CZ 3.51Å; E731-R760 IonicContact OE1-NE 3.34Å; E731-R760 PolarHBondContact OE1-NE 2.89Å; E731-R760 IonicContact OE1-NH2 3.38Å; E731-R760 PolarHBondContact OE1-NH2 3.39Å; F756-R760 WeakPolarHBondContact O-CD 3.35Å; F756-R760 VanDerWaalsContact O-CG 3.23Å; F756-R760 WeakPolarHBondContact O-CG 3.22Å; L757-R760 PolarHBondContact O-N 3.28Å; R760-W776 PolarHBondContact O-N 3.22Å
761	D	86.7	Confident	80.1	Confident	96 Å²	96	59.5 Å²	59.5	51%	0.513	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-83.2	147.5	170.4	-67.8	-38.4	0	0	0	111.2	T773 W776	D761-T773 HydrophobicContact CB-CG2 3.48Å; D761-T773 VanDerWaalsContact CB-CG2 3.48Å; D761-W776 PolarHBondContact O-NE1 3.47Å
762	M	83.8	Confident	78.4	Confident	21 Å²	21	60.9 Å²	60.9	10%	0.103	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-77.7	135.6	173.5	-172.5	170.8	62.7	0	0	110	Q774 W776	M762-Q774 VanDerWaalsContact CB-O 3.3Å; M762-Q774 WeakPolarHBondContact CB-O 3.41Å; M762-Q774 HydrophobicContact CE-CB 4.22Å; M762-Q774 PolarHBondContact N-O 3.1Å; M762-W776 HydrophobicContact CB-CD2 4.5Å; M762-W776 HydrophobicContact CG-CH2 4.44Å; M762-W776 HydrophobicContact CG-CZ2 4.11Å
763	P	80.1	Confident	77	Confident	17 Å²	17	65.5 Å²	65.5	11%	0.11	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-58.3	140.1	177.2	-23.8	32.9	0	0	0	112.7	E731 V734 K735 L765	E731-P763 HydrophobicContact CB-CG 4.35Å; E731-P763 HydrophobicContact CG-CG 4.3Å; V734-P763 HydrophobicContact CB-CB 4.42Å; V734-P763 HydrophobicContact CB-CG 4.18Å; V734-P763 HydrophobicContact CG1-CB 4.21Å; V734-P763 HydrophobicContact CG1-CG 4.28Å; K735-P763 HydrophobicContact CG-CB 3.84Å; P763-L765 PolarHBondContact O-N 3.02Å
764	C	69.3	Low	76.1	Confident	99 Å²	99	70.5 Å²	70.5	67%	0.669	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-59.8	120.5	173.4	-61.7	0	0	0	0	110.5
765	L	70.8	Confident	75.6	Confident	39 Å²	39	74.8 Å²	74.8	20%	0.204	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-68.9	143.8	178.1	-65.9	169.8	0	0	0	111	V734 P763 G767 A768 W810	V734-L765 HydrophobicContact CG1-CD2 3.67Å; P763-L765 PolarHBondContact O-N 3.02Å; L765-G767 PolarHBondContact O-N 3.44Å; L765-A768 HydrophobicContact CB-CB 4.06Å; L765-A768 WeakPolarHBondContact O-CB 3.25Å; L765-A768 PolarHBondContact O-N 2.83Å; L765-W810 HydrophobicContact CD1-CZ2 3.84Å; L765-W810 HydrophobicContact CD2-CD2 4.19Å; L765-W810 HydrophobicContact CD2-CH2 4.34Å; L765-W810 HydrophobicContact CD2-CZ2 3.72Å; L765-W810 HydrophobicContact CG-CZ2 4.45Å
766	P	62.3	Low	75.5	Confident	90 Å²	90	71.4 Å²	71.4	58%	0.584	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	113.6	178.3	25.2	-33.6	0	0	0	110.6	K735	K735-P766 WeakPolarHBondContact O-CD 3.12Å; K735-P766 WeakPolarHBondContact O-CG 3.33Å
767	G	62.2	Low	75.3	Confident	79 Å²	79	74.8 Å²	74.8	81%	0.814	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.1	-3.7	-175.3	0	0	0	0	0	115.6	L765	L765-G767 PolarHBondContact O-N 3.44Å
768	A	62.2	Low	75.2	Confident	30 Å²	30	80.2 Å²	80.2	25%	0.248	47%	0.473	C	S	.	.			trans	-93.7	17.8	176.6	0	0	0	0	0	114	L765 G770 Q771	L765-A768 HydrophobicContact CB-CB 4.06Å; L765-A768 WeakPolarHBondContact O-CB 3.25Å; L765-A768 PolarHBondContact O-N 2.83Å; A768-G770 PolarHBondContact O-N 3.08Å; A768-Q771 PolarHBondContact O-N 3.35Å; A768-Q771 VanDerWaalsContact O-N 3.1Å
769	E	54.7	Low	75.1	Confident	188 Å²	188	81.8 Å²	81.8	88%	0.879	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	104.8	-177.9	-68.9	-174	-149.7	0	0	111.8
770	G	56.4	Low	75.2	Confident	84 Å²	84	80.5 Å²	80.5	87%	0.866	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	125	-11.8	-178.2	0	0	0	0	0	114.6	A768	A768-G770 PolarHBondContact O-N 3.08Å
771	Q	56.7	Low	75.3	Confident	145 Å²	145	77 Å²	77	68%	0.678	46%	0.461	S	S	*	.	S	Bend	trans	-82.1	137.4	165.5	-66.1	-173.5	-2.9	0	0	109.9	A768	A768-Q771 PolarHBondContact O-N 3.35Å; A768-Q771 VanDerWaalsContact O-N 3.1Å
772	G	61.1	Low	75.8	Confident	62 Å²	62	73.1 Å²	73.1	64%	0.639	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-68	155.7	-176	0	0	0	0	0	113	Q774	G772-Q774 PolarHBondContact O-N 3.41Å
773	T	66.8	Low	76.3	Confident	101 Å²	101	72.1 Å²	72.1	62%	0.62	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-55.1	123.3	-179.3	-40	0	0	0	0	111.5	D761	D761-T773 HydrophobicContact CB-CG2 3.48Å; D761-T773 VanDerWaalsContact CB-CG2 3.48Å
774	Q	76.8	Confident	77	Confident	105 Å²	105	72.2 Å²	72.2	49%	0.491	43%	0.432	S	S	.	.			trans	-105.1	139.2	174.7	-64.3	179.4	10.8	0	0	109	M762 G772	M762-Q774 VanDerWaalsContact CB-O 3.3Å; M762-Q774 WeakPolarHBondContact CB-O 3.41Å; M762-Q774 HydrophobicContact CE-CB 4.22Å; M762-Q774 PolarHBondContact N-O 3.1Å; G772-Q774 PolarHBondContact O-N 3.41Å
775	K	86.5	Confident	78.1	Confident	114 Å²	114	67.5 Å²	67.5	50%	0.496	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-75.5	164.7	168.1	-74.7	-171.7	157.5	-142.4	0	111.4	G758	G758-K775 PolarHBondContact O-NZ 3.24Å
776	W	91.5	Very high	79.1	Confident	13 Å²	13	65.7 Å²	65.7	5%	0.049	39%	0.391	C	S	.	.			trans	-70	137.3	166.4	-65.3	88.8	0	0	0	111.4	I730 V734 L757 R760 D761 M762 S781 Y782 L811	I730-W776 HydrophobicContact CG2-CH2 3.83Å; I730-W776 HydrophobicContact CG2-CZ2 3.88Å; V734-W776 HydrophobicContact CG2-CH2 3.92Å; V734-W776 HydrophobicContact CG2-CZ2 4.44Å; L757-W776 HydrophobicContact CB-CB 3.88Å; L757-W776 HydrophobicContact CB-CG 4.15Å; L757-W776 HydrophobicContact CD2-CB 4.29Å; L757-W776 HydrophobicContact CD2-CD2 3.59Å; L757-W776 HydrophobicContact CD2-CE3 4Å; L757-W776 HydrophobicContact CD2-CG 3.71Å; L757-W776 HydrophobicContact CD2-CZ2 4.38Å; L757-W776 WeakPolarHBondContact O-CB 3.31Å; R760-W776 PolarHBondContact O-N 3.22Å; D761-W776 PolarHBondContact O-NE1 3.47Å; M762-W776 HydrophobicContact CB-CD2 4.5Å; M762-W776 HydrophobicContact CG-CH2 4.44Å; M762-W776 HydrophobicContact CG-CZ2 4.11Å; W776-S781 WeakPolarHBondContact CA-OG 3.28Å; W776-S781 VanDerWaalsContact CE3-OG 3.32Å; W776-Y782 HydrophobicContact CB-CD1 4.21Å; W776-Y782 HydrophobicContact CB-CE1 4.27Å; W776-Y782 HydrophobicContact CE3-CD1 4.16Å; W776-L811 HydrophobicContact CH2-CB 4.34Å; W776-L811 HydrophobicContact CZ3-CB 3.85Å; W776-L811 HydrophobicContact CZ3-CD2 4.15Å
777	V	91.7	Very high	80.2	Confident	76 Å²	76	64.2 Å²	64.2	46%	0.461	39%	0.392	S	S	.	.			trans	-140.8	124.2	-176.9	179.5	0	0	0	0	109.4	V780 S781 Y782	V777-V780 HydrophobicContact CB-CB 4.18Å; V777-V780 HydrophobicContact CB-CG2 4.46Å; V777-V780 HydrophobicContact CG1-CB 4.17Å; V777-V780 HydrophobicContact CG1-CG2 3.92Å; V777-V780 PolarHBondContact O-N 3.26Å; V777-S781 PolarHBondContact N-OG 2.91Å; V777-S781 PolarHBondContact O-N 2.9Å; V777-S781 PolarHBondContact O-OG 3.03Å; V777-Y782 PolarHBondContact O-N 2.8Å
778	R	91.4	Very high	81.4	Confident	115 Å²	115	63.9 Å²	63.9	43%	0.434	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-57.6	142.8	176	-167.6	178.2	174.1	179.8	-2.6	109.6	E754 V780 Y782	E754-R778 WeakPolarHBondContact OE1-CD 3.41Å; E754-R778 IonicContact OE1-NE 2.83Å; R778-V780 PolarHBondContact O-N 2.74Å; R778-V780 VanDerWaalsContact O-N 3.12Å; R778-Y782 CarbonylContact C-O 3.54Å; R778-Y782 HydrophobicContact CB-CE1 4.21Å; R778-Y782 HydrophobicContact CB-CE2 4.1Å; R778-Y782 HydrophobicContact CG-CE2 4.08Å; R778-Y782 VanDerWaalsContact N-CE1 3.33Å
779	N	89.8	Confident	82.6	Confident	67 Å²	67	62.9 Å²	62.9	36%	0.358	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.1	6.4	-176.6	-62	-26.5	0	0	0	115.6	Y782	N779-Y782 PolarHBondContact N-O 3.04Å
780	V	89.7	Confident	83.9	Confident	73 Å²	73	56.7 Å²	56.7	44%	0.442	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.8	-67.8	173.3	-176.5	0	0	0	0	111.1	V777 R778 T808 T809	V777-V780 HydrophobicContact CB-CB 4.18Å; V777-V780 HydrophobicContact CB-CG2 4.46Å; V777-V780 HydrophobicContact CG1-CB 4.17Å; V777-V780 HydrophobicContact CG1-CG2 3.92Å; V777-V780 PolarHBondContact O-N 3.26Å; R778-V780 PolarHBondContact O-N 2.74Å; R778-V780 VanDerWaalsContact O-N 3.12Å; V780-T808 CarbonylContact O-C 3.55Å; V780-T808 PolarHBondContact O-OG1 3.39Å; V780-T809 WeakPolarHBondContact O-CA 3.34Å; V780-T809 WeakPolarHBondContact O-CB 3.31Å; V780-T809 PolarHBondContact O-N 3.44Å; V780-T809 PolarHBondContact O-OG1 2.77Å
781	S	91.9	Very high	84.9	Confident	4 Å²	4	56.2 Å²	56.2	3%	0.028	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-21.9	-178.6	69.8	0	0	0	0	114.1	W776 V777 T808 T809 W810	W776-S781 WeakPolarHBondContact CA-OG 3.28Å; W776-S781 VanDerWaalsContact CE3-OG 3.32Å; V777-S781 PolarHBondContact N-OG 2.91Å; V777-S781 PolarHBondContact O-N 2.9Å; V777-S781 PolarHBondContact O-OG 3.03Å; S781-T808 WeakPolarHBondContact CA-O 3.28Å; S781-T809 WeakPolarHBondContact O-CA 3.28Å; S781-W810 PolarHBondContact O-N 3.15Å
782	Y	95.9	Very high	86	Confident	13 Å²	13	56.7 Å²	56.7	5%	0.051	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	158.8	170.5	77.4	-87.8	0	0	0	112.4	E754 L757 W776 V777 R778 N779 L811 L813	E754-Y782 WeakPolarHBondContact CB-OH 3.18Å; E754-Y782 HydrophobicContact CG-CE2 3.76Å; E754-Y782 WeakPolarHBondContact CG-OH 3.46Å; E754-Y782 VanDerWaalsContact OE1-CE2 3.3Å; E754-Y782 WeakPolarHBondContact OE1-CE2 3.42Å; E754-Y782 PolarHBondContact OE1-OH 3.4Å; L757-Y782 HydrophobicContact CB-CE1 4.41Å; L757-Y782 HydrophobicContact CD1-CD1 4.31Å; L757-Y782 HydrophobicContact CD1-CD2 4.38Å; L757-Y782 HydrophobicContact CD1-CE1 4.29Å; L757-Y782 HydrophobicContact CD1-CE2 4.41Å; L757-Y782 HydrophobicContact CD1-CG 4.33Å; W776-Y782 HydrophobicContact CB-CD1 4.21Å; W776-Y782 HydrophobicContact CB-CE1 4.27Å; W776-Y782 HydrophobicContact CE3-CD1 4.16Å; V777-Y782 PolarHBondContact O-N 2.8Å; R778-Y782 CarbonylContact C-O 3.54Å; R778-Y782 HydrophobicContact CB-CE1 4.21Å; R778-Y782 HydrophobicContact CB-CE2 4.1Å; R778-Y782 HydrophobicContact CG-CE2 4.08Å; R778-Y782 VanDerWaalsContact N-CE1 3.33Å; N779-Y782 PolarHBondContact N-O 3.04Å; Y782-L811 CarbonylContact C-O 3.59Å; Y782-L811 WeakPolarHBondContact CA-O 3.37Å; Y782-L811 WeakPolarHBondContact CB-O 3.49Å; Y782-L813 HydrophobicContact CD2-CD1 4.1Å; Y782-L813 HydrophobicContact CD2-CG 4.31Å; Y782-L813 HydrophobicContact CE2-CD1 4.02Å
783	F	95.6	Very high	87.3	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	157.9	171.8	-59.4	-27.2	0	0	0	111.1	L797 Q800 F801 T809 L811 F812 L813	F783-L797 HydrophobicContact CB-CD2 4.34Å; F783-L797 HydrophobicContact CD1-CD2 3.76Å; F783-L797 HydrophobicContact CD2-CB 4.09Å; F783-L797 HydrophobicContact CD2-CD2 4.01Å; F783-L797 HydrophobicContact CE1-CD2 4.02Å; F783-L797 HydrophobicContact CE2-CD2 4.25Å; F783-L797 WeakPolarHBondContact CE2-O 3.43Å; F783-L797 HydrophobicContact CG-CB 4.49Å; F783-L797 HydrophobicContact CG-CD2 3.79Å; F783-L797 HydrophobicContact CZ-CD2 4.27Å; F783-Q800 HydrophobicContact CE2-CB 4.12Å; F783-Q800 HydrophobicContact CE2-CG 4.24Å; F783-Q800 HydrophobicContact CZ-CB 4.17Å; F783-Q800 HydrophobicContact CZ-CG 3.83Å; F783-F801 HydrophobicContact CD2-CB 3.99Å; F783-F801 HydrophobicContact CD2-CD2 4.24Å; F783-F801 HydrophobicContact CE2-CB 3.86Å; F783-F801 HydrophobicContact CE2-CD2 4.47Å; F783-T809 HydrophobicContact CD1-CG2 3.83Å; F783-T809 HydrophobicContact CD2-CG2 3.94Å; F783-T809 HydrophobicContact CE1-CG2 3.7Å; F783-T809 HydrophobicContact CE2-CG2 3.84Å; F783-T809 HydrophobicContact CG-CG2 3.92Å; F783-T809 HydrophobicContact CZ-CG2 3.7Å; F783-T809 WeakPolarHBondContact CZ-OG1 3.44Å; F783-L811 PolarHBondContact N-O 3.24Å; F783-F812 HydrophobicContact CB-CD2 3.62Å; F783-F812 HydrophobicContact CB-CE1 4.49Å; F783-F812 HydrophobicContact CB-CE2 3.48Å; F783-F812 VanDerWaalsContact CB-CE2 3.48Å; F783-F812 HydrophobicContact CB-CG 4.16Å; F783-F812 HydrophobicContact CB-CZ 3.97Å; F783-F812 HydrophobicContact CD2-CD1 4.45Å; F783-F812 HydrophobicContact CD2-CE1 4.17Å; F783-F812 HydrophobicContact CD2-CZ 4.22Å; F783-F812 WeakPolarHBondContact O-CA 3.36Å; F783-L813 PolarHBondContact O-N 3.34Å
784	R	94.8	Very high	88.2	Confident	19 Å²	19	52.9 Å²	52.9	7%	0.072	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	141.7	170	173.2	171.6	159	174.7	-5.2	108.7	E754 D786 L813	E754-R784 VanDerWaalsContact CD-CD 3.46Å; E754-R784 WeakPolarHBondContact OE2-CD 3.21Å; E754-R784 IonicContact OE2-CZ 3.4Å; E754-R784 IonicContact OE2-NE 3.07Å; E754-R784 IonicContact OE2-NH1 2.63Å; E754-R784 PolarHBondContact OE2-NH1 3.11Å; R784-D786 IonicContact CZ-OD2 2.9Å; R784-D786 IonicContact NE-OD2 2.92Å; R784-D786 PolarHBondContact NE-OD2 2.83Å; R784-D786 IonicContact NH2-OD2 3.84Å; R784-D786 PolarHBondContact NH2-OD2 2.7Å; R784-D786 VanDerWaalsContact NH2-OD2 3.09Å; R784-L813 CarbonylContact C-O 3.54Å; R784-L813 WeakPolarHBondContact CA-O 3.49Å; R784-L813 HydrophobicContact CB-CB 4.36Å
785	L	91.6	Very high	88.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	119.5	176.9	-178.4	177.2	0	0	0	110.1	R794 I798 F812 L813 L814 S815 A818	L785-R794 HydrophobicContact CD1-CG 3.72Å; L785-R794 HydrophobicContact CD2-CG 4.31Å; L785-R794 HydrophobicContact CG-CG 3.98Å; L785-I798 HydrophobicContact CD1-CD1 4.08Å; L785-I798 HydrophobicContact CD1-CG1 4.13Å; L785-F812 HydrophobicContact CB-CD2 4.45Å; L785-F812 HydrophobicContact CB-CE2 3.52Å; L785-F812 HydrophobicContact CB-CZ 4.01Å; L785-F812 HydrophobicContact CD1-CE2 4.24Å; L785-F812 HydrophobicContact CD1-CZ 3.9Å; L785-L813 PolarHBondContact N-O 3.5Å; L785-L814 HydrophobicContact CB-CD2 3.93Å; L785-L814 HydrophobicContact CD1-CD2 3.94Å; L785-L814 HydrophobicContact CD2-CD2 4.13Å; L785-L814 HydrophobicContact CG-CD2 4.22Å; L785-L814 WeakPolarHBondContact O-CA 3.3Å; L785-S815 PolarHBondContact O-N 3.34Å; L785-A818 HydrophobicContact CD2-CB 3.67Å
786	D	91.3	Very high	88.7	Confident	2 Å²	2	53 Å²	53	1%	0.011	29%	0.288	C	S	.	.	S	Bend	trans	-141.9	-161.2	-170.3	46.5	24.8	0	0	0	110.6	L747 R784 S788 T789 R794 A818	L747-D786 HydrophobicContact CD2-CB 3.67Å; R784-D786 IonicContact CZ-OD2 2.9Å; R784-D786 IonicContact NE-OD2 2.92Å; R784-D786 PolarHBondContact NE-OD2 2.83Å; R784-D786 IonicContact NH2-OD2 3.84Å; R784-D786 PolarHBondContact NH2-OD2 2.7Å; R784-D786 VanDerWaalsContact NH2-OD2 3.09Å; D786-S788 PolarHBondContact OD1-OG 3.35Å; D786-T789 PolarHBondContact N-OG1 3.43Å; D786-T789 WeakPolarHBondContact OD1-CB 3.45Å; D786-T789 PolarHBondContact OD1-N 3.27Å; D786-T789 PolarHBondContact OD1-OG1 3.03Å; D786-R794 PolarHBondContact O-NH2 2.8Å; D786-A818 WeakPolarHBondContact O-CB 3.49Å
787	G	85.5	Confident	88.7	Confident	58 Å²	58	52.6 Å²	52.6	60%	0.598	29%	0.287	S	S	*	.	S	Bend	trans	-65.2	-55.1	175.9	0	0	0	0	0	112	T789 R794	G787-T789 VanDerWaalsContact C-N 3.28Å; G787-T789 PolarHBondContact O-N 2.59Å; G787-R794 PolarHBondContact O-NH2 3.13Å
788	S	87.4	Confident	88.6	Confident	72 Å²	72	49.6 Å²	49.6	50%	0.503	27%	0.268	S	S	.	.	S	Bend	trans	-63.3	-23.1	-177.1	34.5	0	0	0	0	114.2	E22 D786 P790	E22-S788 WeakPolarHBondContact OE1-CB 3.19Å; E22-S788 PolarHBondContact OE1-OG 2.92Å; D786-S788 PolarHBondContact OD1-OG 3.35Å; S788-P790 WeakPolarHBondContact O-CD 3.4Å
789	T	86.7	Confident	88.5	Confident	9 Å²	9	47.7 Å²	47.7	6%	0.055	27%	0.266	C	S	.	.	S	Bend	trans	-57.5	113.7	171.9	-60.5	0	0	0	0	113	D786 G787 E793 R794 L797	D786-T789 PolarHBondContact N-OG1 3.43Å; D786-T789 WeakPolarHBondContact OD1-CB 3.45Å; D786-T789 PolarHBondContact OD1-N 3.27Å; D786-T789 PolarHBondContact OD1-OG1 3.03Å; G787-T789 VanDerWaalsContact C-N 3.28Å; G787-T789 PolarHBondContact O-N 2.59Å; T789-E793 HydrophobicContact CG2-CG 4.36Å; T789-R794 HydrophobicContact CG2-CB 4.14Å; T789-R794 PolarHBondContact O-NH2 3.22Å; T789-R794 VanDerWaalsContact O-NH2 3.14Å; T789-L797 HydrophobicContact CG2-CD1 4.31Å
790	P	83.9	Confident	88.7	Confident	59 Å²	59	47.7 Å²	47.7	38%	0.383	26%	0.264	S	S	.	.			trans	-63.7	152.1	-175.7	-25	36	0	0	0	114.3	S788 F792 E793 R794	S788-P790 WeakPolarHBondContact O-CD 3.4Å; P790-F792 HydrophobicContact CB-CD1 3.98Å; P790-F792 HydrophobicContact CB-CE1 3.66Å; P790-F792 HydrophobicContact CB-CZ 4.45Å; P790-F792 HydrophobicContact CG-CE1 4.38Å; P790-F792 PolarHBondContact O-N 3.42Å; P790-E793 PolarHBondContact O-N 3.37Å; P790-E793 VanDerWaalsContact O-N 3.08Å; P790-R794 WeakPolarHBondContact O-CB 3.24Å; P790-R794 PolarHBondContact O-N 3.06Å
791	A	75.9	Confident	88.9	Confident	74 Å²	74	44.2 Å²	44.2	61%	0.612	24%	0.243	S	C	*	.	H	α-helix	trans	-58.7	-38.6	-171.6	0	0	0	0	0	114.9	E795	A791-E795 PolarHBondContact O-N 3.37Å
792	F	80.8	Confident	88.9	Confident	154 Å²	154	45.5 Å²	45.5	68%	0.675	25%	0.249	S	C	*	.	H	α-helix	trans	-71.3	-36.7	177.6	74.3	-88.6	0	0	0	112	P790 R796	P790-F792 HydrophobicContact CB-CD1 3.98Å; P790-F792 HydrophobicContact CB-CE1 3.66Å; P790-F792 HydrophobicContact CB-CZ 4.45Å; P790-F792 HydrophobicContact CG-CE1 4.38Å; P790-F792 PolarHBondContact O-N 3.42Å; F792-R796 PolarHBondContact O-N 2.98Å
793	E	87.2	Confident	88.7	Confident	53 Å²	53	46.8 Å²	46.8	25%	0.248	26%	0.257	C	S	.	.	H	α-helix	trans	-73	-38.2	177.7	176.5	143.4	-110.9	0	0	111.3	T789 P790 E795 R796 L797	T789-E793 HydrophobicContact CG2-CG 4.36Å; P790-E793 PolarHBondContact O-N 3.37Å; P790-E793 VanDerWaalsContact O-N 3.08Å; E793-E795 VanDerWaalsContact C-N 3.3Å; E793-E795 PolarHBondContact O-N 3.03Å; E793-R796 WeakPolarHBondContact O-CB 3.26Å; E793-R796 PolarHBondContact O-N 3.41Å; E793-R796 VanDerWaalsContact O-N 3.09Å; E793-R796 IonicContact OE1-CZ 2.83Å; E793-R796 IonicContact OE1-NE 2.7Å; E793-R796 PolarHBondContact OE1-NE 2.91Å; E793-R796 IonicContact OE1-NH2 2.79Å; E793-R796 PolarHBondContact OE1-NH2 3.5Å; E793-L797 HydrophobicContact CG-CD1 3.82Å; E793-L797 HydrophobicContact CG-CG 4.04Å; E793-L797 WeakPolarHBondContact O-CG 3.39Å; E793-L797 PolarHBondContact O-N 3.47Å
794	R	86.5	Confident	88.4	Confident	31 Å²	31	51.9 Å²	51.9	12%	0.117	29%	0.291	C	S	.	.	H	α-helix	trans	-50.6	-51.3	171.7	-170.2	173.9	-74.2	149.7	-1.1	110.3	L785 D786 G787 T789 P790 I798	L785-R794 HydrophobicContact CD1-CG 3.72Å; L785-R794 HydrophobicContact CD2-CG 4.31Å; L785-R794 HydrophobicContact CG-CG 3.98Å; D786-R794 PolarHBondContact O-NH2 2.8Å; G787-R794 PolarHBondContact O-NH2 3.13Å; T789-R794 HydrophobicContact CG2-CB 4.14Å; T789-R794 PolarHBondContact O-NH2 3.22Å; T789-R794 VanDerWaalsContact O-NH2 3.14Å; P790-R794 WeakPolarHBondContact O-CB 3.24Å; P790-R794 PolarHBondContact O-N 3.06Å; R794-I798 HydrophobicContact CG-CD1 4.03Å; R794-I798 WeakPolarHBondContact O-CD1 3.44Å; R794-I798 WeakPolarHBondContact O-CG1 3.43Å; R794-I798 PolarHBondContact O-N 3.27Å; R794-I798 VanDerWaalsContact O-N 3.17Å
795	E	82.8	Confident	88.2	Confident	126 Å²	126	55.2 Å²	55.2	59%	0.589	32%	0.317	S	S	*	.	H	α-helix	trans	-64.3	-43.6	175.5	-179.7	166.5	-166.9	0	0	112.9	A791 E793 L797 I798 N799	A791-E795 PolarHBondContact O-N 3.37Å; E793-E795 VanDerWaalsContact C-N 3.3Å; E793-E795 PolarHBondContact O-N 3.03Å; E795-L797 PolarHBondContact O-N 2.94Å; E795-I798 PolarHBondContact O-N 2.94Å; E795-N799 VanDerWaalsContact CG-ND2 3.31Å; E795-N799 WeakPolarHBondContact CG-ND2 3.4Å; E795-N799 WeakPolarHBondContact O-CB 3.39Å; E795-N799 PolarHBondContact O-N 2.92Å; E795-N799 PolarHBondContact O-ND2 2.78Å
796	R	90.1	Very high	88	Confident	96 Å²	96	55.8 Å²	55.8	36%	0.362	32%	0.32	S	S	.	.	H	α-helix	trans	-53.7	-51.7	176.5	-173.8	-172.6	72.2	72.6	-8.5	111.9	F792 E793 N799 Q800	F792-R796 PolarHBondContact O-N 2.98Å; E793-R796 WeakPolarHBondContact O-CB 3.26Å; E793-R796 PolarHBondContact O-N 3.41Å; E793-R796 VanDerWaalsContact O-N 3.09Å; E793-R796 IonicContact OE1-CZ 2.83Å; E793-R796 IonicContact OE1-NE 2.7Å; E793-R796 PolarHBondContact OE1-NE 2.91Å; E793-R796 IonicContact OE1-NH2 2.79Å; E793-R796 PolarHBondContact OE1-NH2 3.5Å; R796-N799 PolarHBondContact O-N 3.17Å; R796-Q800 VanDerWaalsContact O-CB 3.26Å; R796-Q800 WeakPolarHBondContact O-CB 3.45Å; R796-Q800 PolarHBondContact O-N 3.18Å
797	L	92.2	Very high	87.8	Confident	4 Å²	4	61.1 Å²	61.1	2%	0.021	35%	0.348	C	S	.	.	H	α-helix	trans	-64.8	-41.6	-178.6	-67	171.8	0	0	0	111.7	F783 T789 E793 E795 Q800 F801 F812	F783-L797 HydrophobicContact CB-CD2 4.34Å; F783-L797 HydrophobicContact CD1-CD2 3.76Å; F783-L797 HydrophobicContact CD2-CB 4.09Å; F783-L797 HydrophobicContact CD2-CD2 4.01Å; F783-L797 HydrophobicContact CE1-CD2 4.02Å; F783-L797 HydrophobicContact CE2-CD2 4.25Å; F783-L797 WeakPolarHBondContact CE2-O 3.43Å; F783-L797 HydrophobicContact CG-CB 4.49Å; F783-L797 HydrophobicContact CG-CD2 3.79Å; F783-L797 HydrophobicContact CZ-CD2 4.27Å; T789-L797 HydrophobicContact CG2-CD1 4.31Å; E793-L797 HydrophobicContact CG-CD1 3.82Å; E793-L797 HydrophobicContact CG-CG 4.04Å; E793-L797 WeakPolarHBondContact O-CG 3.39Å; E793-L797 PolarHBondContact O-N 3.47Å; E795-L797 PolarHBondContact O-N 2.94Å; L797-Q800 PolarHBondContact O-N 2.99Å; L797-F801 VanDerWaalsContact O-CB 3.27Å; L797-F801 WeakPolarHBondContact O-CB 3.45Å; L797-F801 PolarHBondContact O-N 3.07Å; L797-F812 HydrophobicContact CB-CZ 4.01Å
798	I	89.3	Confident	87.9	Confident	13 Å²	13	62.1 Å²	62.1	7%	0.067	34%	0.342	C	S	.	.	H	α-helix	trans	-63.5	-47.2	177.7	-68.6	160.1	0	0	0	111.3	L785 R794 E795 F801 N802 F812 V823 N824 L825	L785-I798 HydrophobicContact CD1-CD1 4.08Å; L785-I798 HydrophobicContact CD1-CG1 4.13Å; R794-I798 HydrophobicContact CG-CD1 4.03Å; R794-I798 WeakPolarHBondContact O-CD1 3.44Å; R794-I798 WeakPolarHBondContact O-CG1 3.43Å; R794-I798 PolarHBondContact O-N 3.27Å; R794-I798 VanDerWaalsContact O-N 3.17Å; E795-I798 PolarHBondContact O-N 2.94Å; I798-F801 PolarHBondContact O-N 3.07Å; I798-N802 WeakPolarHBondContact CG2-ND2 3.23Å; I798-N802 WeakPolarHBondContact O-CB 3.49Å; I798-N802 PolarHBondContact O-N 3.09Å; I798-N802 PolarHBondContact O-ND2 2.9Å; I798-F812 HydrophobicContact CG1-CE1 4.4Å; I798-V823 HydrophobicContact CD1-CB 3.81Å; I798-V823 HydrophobicContact CD1-CG1 3.32Å; I798-N824 WeakPolarHBondContact CG2-O 3.48Å; I798-L825 HydrophobicContact CG1-CD2 4.31Å; I798-L825 HydrophobicContact CG2-CD2 4.29Å
799	N	90.2	Very high	88.2	Confident	74 Å²	74	58.7 Å²	58.7	40%	0.396	32%	0.318	S	S	.	.	H	α-helix	trans	-66.3	-41.4	179.4	-73.6	-27.1	0	0	0	111.1	E795 R796 F801 D803	E795-N799 VanDerWaalsContact CG-ND2 3.31Å; E795-N799 WeakPolarHBondContact CG-ND2 3.4Å; E795-N799 WeakPolarHBondContact O-CB 3.39Å; E795-N799 PolarHBondContact O-N 2.92Å; E795-N799 PolarHBondContact O-ND2 2.78Å; R796-N799 PolarHBondContact O-N 3.17Å; N799-F801 VanDerWaalsContact C-N 3.34Å; N799-F801 PolarHBondContact O-N 3.33Å; N799-D803 PolarHBondContact O-N 3.03Å; N799-D803 VanDerWaalsContact O-N 3.11Å
800	Q	93.2	Very high	88.6	Confident	68 Å²	68	59.2 Å²	59.2	32%	0.318	32%	0.319	S	S	.	.	H	α-helix	trans	-65.7	-32.3	175	-170	179.4	-11.6	0	0	112.7	F783 R796 L797 N806	F783-Q800 HydrophobicContact CE2-CB 4.12Å; F783-Q800 HydrophobicContact CE2-CG 4.24Å; F783-Q800 HydrophobicContact CZ-CB 4.17Å; F783-Q800 HydrophobicContact CZ-CG 3.83Å; R796-Q800 VanDerWaalsContact O-CB 3.26Å; R796-Q800 WeakPolarHBondContact O-CB 3.45Å; R796-Q800 PolarHBondContact O-N 3.18Å; L797-Q800 PolarHBondContact O-N 2.99Å; Q800-N806 VanDerWaalsContact O-CB 3.28Å; Q800-N806 WeakPolarHBondContact O-CB 3.37Å; Q800-N806 PolarHBondContact O-ND2 2.86Å
801	F	93.6	Very high	89.2	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-75.9	-41.4	177.7	-175.3	-96.9	0	0	0	112.6	K739 L741 F783 L797 I798 N799 D803 T809 F812 L825 A828	K739-F801 HydrophobicContact CB-CE2 4.42Å; K739-F801 HydrophobicContact CB-CZ 3.86Å; K739-F801 HydrophobicContact CD-CE1 4.42Å; K739-F801 HydrophobicContact CD-CE2 4.08Å; K739-F801 HydrophobicContact CD-CZ 4.05Å; K739-F801 PolarHBondContact NZ-O 3.41Å; L741-F801 HydrophobicContact CD2-CE1 3.75Å; L741-F801 HydrophobicContact CD2-CZ 3.82Å; F783-F801 HydrophobicContact CD2-CB 3.99Å; F783-F801 HydrophobicContact CD2-CD2 4.24Å; F783-F801 HydrophobicContact CE2-CB 3.86Å; F783-F801 HydrophobicContact CE2-CD2 4.47Å; L797-F801 VanDerWaalsContact O-CB 3.27Å; L797-F801 WeakPolarHBondContact O-CB 3.45Å; L797-F801 PolarHBondContact O-N 3.07Å; I798-F801 PolarHBondContact O-N 3.07Å; N799-F801 VanDerWaalsContact C-N 3.34Å; N799-F801 PolarHBondContact O-N 3.33Å; F801-D803 VanDerWaalsContact C-N 3.32Å; F801-T809 HydrophobicContact CD2-CG2 4.2Å; F801-F812 HydrophobicContact CB-CD1 3.99Å; F801-F812 HydrophobicContact CB-CE1 4Å; F801-F812 AromaticContact CD1-CD1 3.88Å; F801-F812 HydrophobicContact CD1-CD1 3.88Å; F801-F812 HydrophobicContact CD2-CB 4.23Å; F801-F812 AromaticContact CD2-CD1 3.79Å; F801-F812 HydrophobicContact CD2-CD1 3.79Å; F801-F812 HydrophobicContact CD2-CG 4.34Å; F801-F812 HydrophobicContact CE1-CD1 4.27Å; F801-F812 HydrophobicContact CE2-CB 3.85Å; F801-F812 HydrophobicContact CE2-CD1 4.2Å; F801-F812 HydrophobicContact CE2-CG 4.44Å; F801-F812 AromaticContact CG-CD1 3.61Å; F801-F812 HydrophobicContact CG-CD1 3.61Å; F801-F812 HydrophobicContact CG-CE1 4.14Å; F801-F812 HydrophobicContact CZ-CB 4.02Å; F801-F812 HydrophobicContact CZ-CD1 4.41Å; F801-L825 HydrophobicContact CD1-CD2 4.38Å; F801-A828 HydrophobicContact CE1-CB 3.84Å; F801-A828 HydrophobicContact CZ-CB 4.12Å
802	N	91.7	Very high	90.1	Very high	30 Å²	30	52.9 Å²	52.9	16%	0.16	27%	0.272	C	S	.	.	H	α-helix	trans	-71.9	-21.8	178.9	-76.4	-46	0	0	0	113.8	I798 P804 N824 L825 I826 G827	I798-N802 WeakPolarHBondContact CG2-ND2 3.23Å; I798-N802 WeakPolarHBondContact O-CB 3.49Å; I798-N802 PolarHBondContact O-N 3.09Å; I798-N802 PolarHBondContact O-ND2 2.9Å; N802-P804 VanDerWaalsContact O-CD 3.28Å; N802-P804 WeakPolarHBondContact O-CD 3.27Å; N802-N824 PolarHBondContact ND2-O 3.27Å; N802-L825 WeakPolarHBondContact OD1-CA 3.44Å; N802-I826 PolarHBondContact OD1-N 3.11Å; N802-G827 PolarHBondContact OD1-N 3.4Å
803	D	92.3	Very high	90.8	Very high	40 Å²	40	45.6 Å²	45.6	21%	0.214	24%	0.24	C	C	.	.			trans	-58.5	119.8	176.9	-176.8	6.9	0	0	0	111.5	N799 F801 S805 N806 M1396	N799-D803 PolarHBondContact O-N 3.03Å; N799-D803 VanDerWaalsContact O-N 3.11Å; F801-D803 VanDerWaalsContact C-N 3.32Å; D803-S805 VanDerWaalsContact CG-OG 3.31Å; D803-S805 PolarHBondContact O-N 3Å; D803-S805 WeakPolarHBondContact OD1-CB 3.42Å; D803-S805 PolarHBondContact OD1-N 2.93Å; D803-S805 PolarHBondContact OD1-OG 3.39Å; D803-S805 WeakPolarHBondContact OD2-CB 3.31Å; D803-S805 PolarHBondContact OD2-OG 2.98Å; D803-N806 HydrophobicContact CB-CB 4.34Å; D803-N806 PolarHBondContact O-N 3.2Å; D803-N806 VanDerWaalsContact O-N 3.13Å; D803-M1396 HydrophobicContact CB-CE 3.86Å; D803-M1396 HydrophobicContact CB-SD 4.27Å
804	P	88.7	Confident	91.2	Very high	108 Å²	108	43 Å²	43	70%	0.701	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-16.7	172.8	-21.1	34.4	0	0	0	114.3	N802	N802-P804 VanDerWaalsContact O-CD 3.28Å; N802-P804 WeakPolarHBondContact O-CD 3.27Å
805	S	90.7	Very high	91.4	Very high	89 Å²	89	42 Å²	42	62%	0.622	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-23.9	174.5	101.7	0	0	0	0	112.9	D803 L807	D803-S805 VanDerWaalsContact CG-OG 3.31Å; D803-S805 PolarHBondContact O-N 3Å; D803-S805 WeakPolarHBondContact OD1-CB 3.42Å; D803-S805 PolarHBondContact OD1-N 2.93Å; D803-S805 PolarHBondContact OD1-OG 3.39Å; D803-S805 WeakPolarHBondContact OD2-CB 3.31Å; D803-S805 PolarHBondContact OD2-OG 2.98Å; S805-L807 PolarHBondContact O-N 2.89Å
806	N	89.3	Confident	91.6	Very high	12 Å²	12	36 Å²	36	6%	0.064	20%	0.198	C	C	.	.			trans	-75.3	99	175.1	179.7	-2	0	0	0	110.6	K739 Q800 D803 T808 T809	K739-N806 VanDerWaalsContact CE-O 3.31Å; K739-N806 WeakPolarHBondContact CE-O 3.46Å; K739-N806 PolarHBondContact NZ-O 3.05Å; Q800-N806 VanDerWaalsContact O-CB 3.28Å; Q800-N806 WeakPolarHBondContact O-CB 3.37Å; Q800-N806 PolarHBondContact O-ND2 2.86Å; D803-N806 HydrophobicContact CB-CB 4.34Å; D803-N806 PolarHBondContact O-N 3.2Å; D803-N806 VanDerWaalsContact O-N 3.13Å; N806-T808 PolarHBondContact OD1-N 3.1Å; N806-T808 PolarHBondContact OD1-OG1 2.96Å; N806-T809 WeakPolarHBondContact ND2-CB 3.49Å; N806-T809 PolarHBondContact ND2-OG1 3.05Å; N806-T809 PolarHBondContact OD1-N 3.04Å; N806-T809 PolarHBondContact OD1-OG1 2.91Å
807	L	86.3	Confident	91.2	Very high	114 Å²	114	35.1 Å²	35.1	60%	0.597	19%	0.194	S	C	*	.			trans	-103.7	9.8	172.6	-55.8	179.3	0	0	0	113.1	S805 W810	S805-L807 PolarHBondContact O-N 2.89Å; L807-W810 HydrophobicContact CB-CZ2 4.34Å; L807-W810 HydrophobicContact CD2-CH2 4.41Å; L807-W810 VanDerWaalsContact O-CZ2 3.24Å; L807-W810 WeakPolarHBondContact O-CZ2 3.46Å; L807-W810 PolarHBondContact O-NE1 3.26Å; L807-W810 VanDerWaalsContact O-NE1 3.08Å
808	T	88.2	Confident	90.7	Very high	78 Å²	78	35.2 Å²	35.2	48%	0.479	20%	0.196	S	C	.	.	S	Bend	trans	-93.2	-40.3	174.1	58.6	0	0	0	0	111.6	V780 S781 N806 W810	V780-T808 CarbonylContact O-C 3.55Å; V780-T808 PolarHBondContact O-OG1 3.39Å; S781-T808 WeakPolarHBondContact CA-O 3.28Å; N806-T808 PolarHBondContact OD1-N 3.1Å; N806-T808 PolarHBondContact OD1-OG1 2.96Å; T808-W810 PolarHBondContact O-NE1 3.35Å
809	T	92.8	Very high	89.8	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.192	C	C	.	.			trans	-94.1	119.8	-175.2	-38.4	0	0	0	0	112.1	K739 V780 S781 F783 F801 N806	K739-T809 WeakPolarHBondContact CD-O 3.24Å; K739-T809 WeakPolarHBondContact CE-O 3.27Å; K739-T809 PolarHBondContact NZ-O 2.91Å; V780-T809 WeakPolarHBondContact O-CA 3.34Å; V780-T809 WeakPolarHBondContact O-CB 3.31Å; V780-T809 PolarHBondContact O-N 3.44Å; V780-T809 PolarHBondContact O-OG1 2.77Å; S781-T809 WeakPolarHBondContact O-CA 3.28Å; F783-T809 HydrophobicContact CD1-CG2 3.83Å; F783-T809 HydrophobicContact CD2-CG2 3.94Å; F783-T809 HydrophobicContact CE1-CG2 3.7Å; F783-T809 HydrophobicContact CE2-CG2 3.84Å; F783-T809 HydrophobicContact CG-CG2 3.92Å; F783-T809 HydrophobicContact CZ-CG2 3.7Å; F783-T809 WeakPolarHBondContact CZ-OG1 3.44Å; F801-T809 HydrophobicContact CD2-CG2 4.2Å; N806-T809 WeakPolarHBondContact ND2-CB 3.49Å; N806-T809 PolarHBondContact ND2-OG1 3.05Å; N806-T809 PolarHBondContact OD1-N 3.04Å; N806-T809 PolarHBondContact OD1-OG1 2.91Å
810	W	94.4	Very high	88.7	Confident	21 Å²	21	31.8 Å²	31.8	8%	0.08	18%	0.178	C	C	.	.			trans	-115.6	-25	-174	-63.2	97	0	0	0	114.5	V734 K739 I740 L765 S781 L807 T808	V734-W810 HydrophobicContact CG1-CG 4.36Å; V734-W810 HydrophobicContact CG2-CB 3.99Å; K739-W810 CarbonylContact C-O 3.5Å; K739-W810 VanDerWaalsContact CA-O 3.31Å; K739-W810 WeakPolarHBondContact CA-O 3.38Å; K739-W810 HydrophobicContact CG-CE3 3.88Å; K739-W810 HydrophobicContact CG-CZ3 4.24Å; I740-W810 PolarHBondContact N-O 3.02Å; L765-W810 HydrophobicContact CD1-CZ2 3.84Å; L765-W810 HydrophobicContact CD2-CD2 4.19Å; L765-W810 HydrophobicContact CD2-CH2 4.34Å; L765-W810 HydrophobicContact CD2-CZ2 3.72Å; L765-W810 HydrophobicContact CG-CZ2 4.45Å; S781-W810 PolarHBondContact O-N 3.15Å; L807-W810 HydrophobicContact CB-CZ2 4.34Å; L807-W810 HydrophobicContact CD2-CH2 4.41Å; L807-W810 VanDerWaalsContact O-CZ2 3.24Å; L807-W810 WeakPolarHBondContact O-CZ2 3.46Å; L807-W810 PolarHBondContact O-NE1 3.26Å; L807-W810 VanDerWaalsContact O-NE1 3.08Å; T808-W810 PolarHBondContact O-NE1 3.35Å
811	L	96.3	Very high	87.5	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	141.7	-174.8	170.6	65.3	0	0	0	111	I730 I740 V742 L757 W776 Y782 F783 L813	I730-L811 HydrophobicContact CD1-CD1 4.25Å; I730-L811 HydrophobicContact CD1-CD2 4.17Å; I730-L811 HydrophobicContact CG1-CD1 4.41Å; I740-L811 HydrophobicContact CG2-CB 4.31Å; I740-L811 HydrophobicContact CG2-CD1 3.86Å; I740-L811 WeakPolarHBondContact O-CA 3.27Å; V742-L811 HydrophobicContact CB-CD1 4.45Å; V742-L811 HydrophobicContact CG2-CD1 3.61Å; L757-L811 HydrophobicContact CD1-CD2 3.61Å; L757-L811 HydrophobicContact CD2-CD2 3.82Å; L757-L811 HydrophobicContact CG-CD2 4.39Å; W776-L811 HydrophobicContact CH2-CB 4.34Å; W776-L811 HydrophobicContact CZ3-CB 3.85Å; W776-L811 HydrophobicContact CZ3-CD2 4.15Å; Y782-L811 CarbonylContact C-O 3.59Å; Y782-L811 WeakPolarHBondContact CA-O 3.37Å; Y782-L811 WeakPolarHBondContact CB-O 3.49Å; F783-L811 PolarHBondContact N-O 3.24Å; L811-L813 HydrophobicContact CD1-CD2 4.04Å; L811-L813 HydrophobicContact CD2-CD2 4.09Å; L811-L813 HydrophobicContact CG-CD2 4.13Å
812	F	95.8	Very high	86	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	114.8	169.7	-147.2	153.1	0	0	0	109.6	I740 L741 V742 F783 L785 L797 I798 F801 L814 L825	I740-F812 PolarHBondContact O-N 3.14Å; L741-F812 WeakPolarHBondContact CA-O 3.24Å; L741-F812 HydrophobicContact CD2-CB 3.63Å; L741-F812 HydrophobicContact CD2-CD1 4.47Å; L741-F812 HydrophobicContact CD2-CG 4.43Å; V742-F812 PolarHBondContact N-O 3.2Å; F783-F812 HydrophobicContact CB-CD2 3.62Å; F783-F812 HydrophobicContact CB-CE1 4.49Å; F783-F812 HydrophobicContact CB-CE2 3.48Å; F783-F812 VanDerWaalsContact CB-CE2 3.48Å; F783-F812 HydrophobicContact CB-CG 4.16Å; F783-F812 HydrophobicContact CB-CZ 3.97Å; F783-F812 HydrophobicContact CD2-CD1 4.45Å; F783-F812 HydrophobicContact CD2-CE1 4.17Å; F783-F812 HydrophobicContact CD2-CZ 4.22Å; F783-F812 WeakPolarHBondContact O-CA 3.36Å; L785-F812 HydrophobicContact CB-CD2 4.45Å; L785-F812 HydrophobicContact CB-CE2 3.52Å; L785-F812 HydrophobicContact CB-CZ 4.01Å; L785-F812 HydrophobicContact CD1-CE2 4.24Å; L785-F812 HydrophobicContact CD1-CZ 3.9Å; L797-F812 HydrophobicContact CB-CZ 4.01Å; I798-F812 HydrophobicContact CG1-CE1 4.4Å; F801-F812 HydrophobicContact CB-CD1 3.99Å; F801-F812 HydrophobicContact CB-CE1 4Å; F801-F812 AromaticContact CD1-CD1 3.88Å; F801-F812 HydrophobicContact CD1-CD1 3.88Å; F801-F812 HydrophobicContact CD2-CB 4.23Å; F801-F812 AromaticContact CD2-CD1 3.79Å; F801-F812 HydrophobicContact CD2-CD1 3.79Å; F801-F812 HydrophobicContact CD2-CG 4.34Å; F801-F812 HydrophobicContact CE1-CD1 4.27Å; F801-F812 HydrophobicContact CE2-CB 3.85Å; F801-F812 HydrophobicContact CE2-CD1 4.2Å; F801-F812 HydrophobicContact CE2-CG 4.44Å; F801-F812 AromaticContact CG-CD1 3.61Å; F801-F812 HydrophobicContact CG-CD1 3.61Å; F801-F812 HydrophobicContact CG-CE1 4.14Å; F801-F812 HydrophobicContact CZ-CB 4.02Å; F801-F812 HydrophobicContact CZ-CD1 4.41Å; F812-L814 HydrophobicContact CB-CD1 4.29Å; F812-L814 HydrophobicContact CD2-CD1 4.47Å; F812-L814 HydrophobicContact CD2-CD2 4.45Å; F812-L814 HydrophobicContact CD2-CG 4.13Å; F812-L814 HydrophobicContact CE2-CD2 4.48Å; F812-L814 HydrophobicContact CG-CD1 4.28Å; F812-L814 HydrophobicContact CG-CG 4.43Å; F812-L825 HydrophobicContact CD1-CD2 4.06Å; F812-L825 HydrophobicContact CE1-CD2 3.99Å
813	L	96.3	Very high	85.3	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	130.1	170.8	-56.1	-177.3	0	0	0	109.4	V742 L750 I753 E754 L757 Y782 F783 R784 L785 L811	V742-L813 HydrophobicContact CB-CD2 3.96Å; V742-L813 HydrophobicContact CG1-CD2 4.45Å; V742-L813 HydrophobicContact CG2-CD2 4.37Å; L750-L813 HydrophobicContact CD2-CB 4.4Å; I753-L813 HydrophobicContact CG2-CD1 4.01Å; I753-L813 HydrophobicContact CG2-CD2 3.74Å; E754-L813 HydrophobicContact CG-CD1 3.52Å; L757-L813 HydrophobicContact CD1-CD1 4.1Å; Y782-L813 HydrophobicContact CD2-CD1 4.1Å; Y782-L813 HydrophobicContact CD2-CG 4.31Å; Y782-L813 HydrophobicContact CE2-CD1 4.02Å; F783-L813 PolarHBondContact O-N 3.34Å; R784-L813 CarbonylContact C-O 3.54Å; R784-L813 WeakPolarHBondContact CA-O 3.49Å; R784-L813 HydrophobicContact CB-CB 4.36Å; L785-L813 PolarHBondContact N-O 3.5Å; L811-L813 HydrophobicContact CD1-CD2 4.04Å; L811-L813 HydrophobicContact CD2-CD2 4.09Å; L811-L813 HydrophobicContact CG-CD2 4.13Å
814	L	94	Very high	84.9	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	125	-172.3	-75	146.2	0	0	0	110.3	L741 V742 F743 S744 L785 F812 T816 L825	L741-L814 HydrophobicContact CB-CD1 4.1Å; L741-L814 HydrophobicContact CD1-CD1 4.06Å; L741-L814 HydrophobicContact CD2-CD1 4.01Å; L741-L814 HydrophobicContact CG-CD1 4.28Å; V742-L814 PolarHBondContact O-N 3.04Å; F743-L814 WeakPolarHBondContact CA-O 3.46Å; F743-L814 HydrophobicContact CD1-CB 3.52Å; F743-L814 HydrophobicContact CD1-CD1 4.34Å; F743-L814 HydrophobicContact CD1-CG 4.49Å; F743-L814 HydrophobicContact CE1-CB 3.6Å; F743-L814 HydrophobicContact CE1-CD1 3.72Å; F743-L814 HydrophobicContact CE1-CD2 4.47Å; F743-L814 HydrophobicContact CE1-CG 4.12Å; F743-L814 HydrophobicContact CE2-CD1 4.38Å; F743-L814 HydrophobicContact CG-CB 4.33Å; F743-L814 HydrophobicContact CZ-CB 4.45Å; F743-L814 HydrophobicContact CZ-CD1 3.75Å; S744-L814 PolarHBondContact N-O 3.18Å; L785-L814 HydrophobicContact CB-CD2 3.93Å; L785-L814 HydrophobicContact CD1-CD2 3.94Å; L785-L814 HydrophobicContact CD2-CD2 4.13Å; L785-L814 HydrophobicContact CG-CD2 4.22Å; L785-L814 WeakPolarHBondContact O-CA 3.3Å; F812-L814 HydrophobicContact CB-CD1 4.29Å; F812-L814 HydrophobicContact CD2-CD1 4.47Å; F812-L814 HydrophobicContact CD2-CD2 4.45Å; F812-L814 HydrophobicContact CD2-CG 4.13Å; F812-L814 HydrophobicContact CE2-CD2 4.48Å; F812-L814 HydrophobicContact CG-CD1 4.28Å; F812-L814 HydrophobicContact CG-CG 4.43Å; L814-T816 PolarHBondContact O-N 3.49Å; L814-L825 HydrophobicContact CD1-CD1 3.82Å; L814-L825 HydrophobicContact CD2-CD1 4.37Å
815	S	92.2	Very high	84.9	Confident	9 Å²	9	27.7 Å²	27.7	6%	0.063	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	134.9	159.4	165.9	0	0	0	0	108	L785 R817 A818 G819	L785-S815 PolarHBondContact O-N 3.34Å; S815-R817 VanDerWaalsContact C-N 3.31Å; S815-R817 PolarHBondContact O-N 2.84Å; S815-R817 PolarHBondContact OG-N 3.34Å; S815-A818 PolarHBondContact O-N 3.33Å; S815-G819 PolarHBondContact O-N 3.24Å
816	T	86.5	Confident	84.9	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-65.4	-37.8	-177.8	-54.8	0	0	0	0	110.9	S744 Q745 L814 C820 H842 A846	S744-T816 VanDerWaalsContact C-OG1 3.25Å; S744-T816 WeakPolarHBondContact O-CB 3.45Å; S744-T816 PolarHBondContact O-N 2.96Å; S744-T816 PolarHBondContact O-OG1 3.16Å; Q745-T816 PolarHBondContact NE2-OG1 3.07Å; L814-T816 PolarHBondContact O-N 3.49Å; T816-C820 WeakPolarHBondContact O-CB 3.39Å; T816-C820 PolarHBondContact O-N 3.04Å; T816-C820 PolarHBondContact O-SG 2.94Å; T816-H842 HydrophobicContact CG2-CB 4.12Å; T816-A846 HydrophobicContact CG2-CB 4.5Å
817	R	81.9	Confident	85	Confident	77 Å²	77	26.1 Å²	26.1	29%	0.291	15%	0.15	S	C	.	.	H	α-helix	trans	-59.5	-49.9	173.8	-63.3	-172.5	-173.2	-142.4	6.7	110.5	E29 E30 S815 C820	E29-R817 PolarHBondContact O-NH1 3.01Å; E29-R817 PolarHBondContact O-NH2 3.22Å; E29-R817 WeakPolarHBondContact OE2-CD 3.32Å; E29-R817 IonicContact OE2-CZ 3.64Å; E29-R817 IonicContact OE2-NE 3.58Å; E29-R817 IonicContact OE2-NH1 2.8Å; E29-R817 PolarHBondContact OE2-NH1 3.05Å; E30-R817 IonicContact OE1-NH2 3.4Å; E30-R817 PolarHBondContact OE1-NH2 3.31Å; S815-R817 VanDerWaalsContact C-N 3.31Å; S815-R817 PolarHBondContact O-N 2.84Å; S815-R817 PolarHBondContact OG-N 3.34Å; R817-C820 PolarHBondContact O-N 3.35Å
818	A	80.9	Confident	85.4	Confident	6 Å²	6	20.8 Å²	20.8	5%	0.05	12%	0.122	C	C	.	.	H	α-helix	trans	-68.3	-45.1	-178.2	0	0	0	0	0	113.3	L785 D786 S815 C820 L821	L785-A818 HydrophobicContact CD2-CB 3.67Å; D786-A818 WeakPolarHBondContact O-CB 3.49Å; S815-A818 PolarHBondContact O-N 3.33Å; A818-C820 VanDerWaalsContact C-N 3.29Å; A818-C820 PolarHBondContact O-N 2.78Å; A818-L821 VanDerWaalsContact O-CB 3.26Å; A818-L821 WeakPolarHBondContact O-CB 3.18Å; A818-L821 WeakPolarHBondContact O-CG 3.49Å; A818-L821 PolarHBondContact O-N 2.9Å; A818-L821 VanDerWaalsContact O-N 3.12Å
819	G	70.7	Confident	85.7	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-71.5	-18.3	177.5	0	0	0	0	0	114.5	S815 L821 R849	S815-G819 PolarHBondContact O-N 3.24Å; G819-L821 PolarHBondContact O-N 2.83Å; G819-R849 WeakPolarHBondContact O-CD 3.33Å; G819-R849 WeakPolarHBondContact O-CG 3.43Å; G819-R849 PolarHBondContact O-NE 2.97Å
820	C	67.1	Low	85.8	Confident	15 Å²	15	17.6 Å²	17.6	10%	0.101	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-16.9	168.4	-79.4	0	0	0	0	113.2	T816 R817 A818 H842 Q845 R849	T816-C820 WeakPolarHBondContact O-CB 3.39Å; T816-C820 PolarHBondContact O-N 3.04Å; T816-C820 PolarHBondContact O-SG 2.94Å; R817-C820 PolarHBondContact O-N 3.35Å; A818-C820 VanDerWaalsContact C-N 3.29Å; A818-C820 PolarHBondContact O-N 2.78Å; C820-H842 PolarHBondContact SG-O 2.58Å; C820-Q845 PolarHBondContact O-OE1 3.02Å; C820-R849 PolarHBondContact O-NH2 2.98Å
821	L	67	Low	85.9	Confident	42 Å²	42	16.7 Å²	16.7	22%	0.22	10%	0.099	C	C	.	.	S	Bend	trans	-74.4	136.8	176.2	-57.5	169.5	0	0	0	110.8	N338 A818 G819 V823	N338-L821 HydrophobicContact CB-CB 4.31Å; N338-L821 HydrophobicContact CB-CD1 4.46Å; N338-L821 HydrophobicContact CB-CD2 4.41Å; N338-L821 WeakPolarHBondContact ND2-CD1 3.48Å; A818-L821 VanDerWaalsContact O-CB 3.26Å; A818-L821 WeakPolarHBondContact O-CB 3.18Å; A818-L821 WeakPolarHBondContact O-CG 3.49Å; A818-L821 PolarHBondContact O-N 2.9Å; A818-L821 VanDerWaalsContact O-N 3.12Å; G819-L821 PolarHBondContact O-N 2.83Å; L821-V823 VanDerWaalsContact C-N 3.26Å; L821-V823 WeakPolarHBondContact O-CG1 3.45Å; L821-V823 PolarHBondContact O-N 3.04Å
822	G	63.2	Low	85.9	Confident	27 Å²	27	16.7 Å²	16.7	28%	0.278	10%	0.099	S	C	.	.	S	Bend	trans	53.6	-55.6	154	0	0	0	0	0	121.1	R849	G822-R849 PolarHBondContact O-NH1 2.9Å
823	V	77.2	Confident	85.9	Confident	27 Å²	27	16.9 Å²	16.9	16%	0.164	10%	0.099	C	C	.	.			trans	-69.5	170.4	-150.4	-51.8	0	0	0	0	116.5	I798 L821 L825 R849 R852	I798-V823 HydrophobicContact CD1-CB 3.81Å; I798-V823 HydrophobicContact CD1-CG1 3.32Å; L821-V823 VanDerWaalsContact C-N 3.26Å; L821-V823 WeakPolarHBondContact O-CG1 3.45Å; L821-V823 PolarHBondContact O-N 3.04Å; V823-L825 HydrophobicContact CG2-CD1 4.12Å; V823-L825 HydrophobicContact CG2-CG 4.16Å; V823-R849 HydrophobicContact CG2-CG 4.46Å; V823-R849 WeakPolarHBondContact O-CD 3.35Å; V823-R849 PolarHBondContact O-NH1 2.88Å; V823-R852 PolarHBondContact O-NH1 2.99Å; V823-R852 VanDerWaalsContact O-NH1 3.14Å
824	N	83.8	Confident	85.9	Confident	64 Å²	64	16.9 Å²	16.9	34%	0.342	10%	0.099	S	C	.	.			trans	-124	127.8	177.4	-178.4	22.4	0	0	0	109	I798 N802 I826	I798-N824 WeakPolarHBondContact CG2-O 3.48Å; N802-N824 PolarHBondContact ND2-O 3.27Å; N824-I826 WeakPolarHBondContact OD1-CG2 3.38Å
825	L	88.2	Confident	85.9	Confident	0 Å²	0	17 Å²	17	0%	0	10%	0.1	C	C	.	.			trans	-132.4	34.2	-174.7	-67.2	171.9	0	0	0	112.7	L741 I798 F801 N802 F812 L814 V823 G827 A828 R849 V850	L741-L825 HydrophobicContact CD1-CB 3.96Å; L741-L825 HydrophobicContact CD1-CD1 3.69Å; L741-L825 HydrophobicContact CD1-CG 4.46Å; L741-L825 HydrophobicContact CD2-CD1 4.3Å; I798-L825 HydrophobicContact CG1-CD2 4.31Å; I798-L825 HydrophobicContact CG2-CD2 4.29Å; F801-L825 HydrophobicContact CD1-CD2 4.38Å; N802-L825 WeakPolarHBondContact OD1-CA 3.44Å; F812-L825 HydrophobicContact CD1-CD2 4.06Å; F812-L825 HydrophobicContact CE1-CD2 3.99Å; L814-L825 HydrophobicContact CD1-CD1 3.82Å; L814-L825 HydrophobicContact CD2-CD1 4.37Å; V823-L825 HydrophobicContact CG2-CD1 4.12Å; V823-L825 HydrophobicContact CG2-CG 4.16Å; L825-G827 PolarHBondContact O-N 3.06Å; L825-A828 PolarHBondContact O-N 3.42Å; L825-R849 HydrophobicContact CB-CB 4.42Å; L825-R849 HydrophobicContact CD1-CB 4.28Å; L825-R849 PolarHBondContact N-O 3.44Å; L825-V850 HydrophobicContact CB-CG2 4.32Å
826	I	90.5	Very high	85.9	Confident	42 Å²	42	16.9 Å²	16.9	22%	0.215	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-11.3	178.3	53.6	170.3	0	0	0	115.2	N802 N824 A828 R852 Q855	N802-I826 PolarHBondContact OD1-N 3.11Å; N824-I826 WeakPolarHBondContact OD1-CG2 3.38Å; I826-A828 VanDerWaalsContact C-N 3.26Å; I826-R852 HydrophobicContact CG2-CB 4.38Å; I826-Q855 HydrophobicContact CG2-CB 4.17Å; I826-Q855 PolarHBondContact O-NE2 3.02Å
827	G	91.4	Very high	85.9	Confident	26 Å²	26	17.2 Å²	17.2	27%	0.268	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-26.3	169.9	0	0	0	0	0	113.6	N802 L825	N802-G827 PolarHBondContact OD1-N 3.4Å; L825-G827 PolarHBondContact O-N 3.06Å
828	A	94.3	Very high	86.2	Confident	1 Å²	1	16.5 Å²	16.5	1%	0.008	10%	0.1	C	C	.	.			trans	-82.3	158.5	169.1	0	0	0	0	0	111.9	K739 L741 F801 L825 I826 V850 Q855	K739-A828 WeakPolarHBondContact O-CA 3.39Å; L741-A828 HydrophobicContact CD1-CB 4.32Å; L741-A828 HydrophobicContact CD2-CB 3.67Å; L741-A828 HydrophobicContact CG-CB 3.62Å; F801-A828 HydrophobicContact CE1-CB 3.84Å; F801-A828 HydrophobicContact CZ-CB 4.12Å; L825-A828 PolarHBondContact O-N 3.42Å; I826-A828 VanDerWaalsContact C-N 3.26Å; A828-V850 HydrophobicContact CB-CG2 4.25Å; A828-V850 VanDerWaalsContact O-CG1 3.24Å; A828-V850 WeakPolarHBondContact O-CG1 3.48Å; A828-Q855 PolarHBondContact O-NE2 3.33Å
829	N	94.5	Very high	86.5	Confident	4 Å²	4	16.8 Å²	16.8	2%	0.021	10%	0.1	C	C	.	.			trans	-135.6	0.6	167	74.7	-79.3	0	0	0	113.4	D738 K739 K857 P858 C859 H860	D738-N829 VanDerWaalsContact CB-OD1 3.27Å; D738-N829 WeakPolarHBondContact CB-OD1 3.45Å; D738-N829 PolarHBondContact OD1-ND2 2.78Å; D738-N829 PolarHBondContact OD1-OD1 3.46Å; D738-N829 VanDerWaalsContact OD1-OD1 3.13Å; D738-N829 PolarHBondContact OD2-ND2 2.77Å; K739-N829 PolarHBondContact O-N 3.44Å; N829-K857 HydrophobicContact CB-CB 3.6Å; N829-K857 HydrophobicContact CB-CD 3.84Å; N829-K857 HydrophobicContact CB-CG 4.36Å; N829-K857 VanDerWaalsContact OD1-CD 3.27Å; N829-K857 WeakPolarHBondContact OD1-CD 3.5Å; N829-K857 PolarHBondContact OD1-NZ 3.05Å; N829-P858 PolarHBondContact ND2-O 2.72Å; N829-C859 WeakPolarHBondContact O-CA 3.46Å; N829-H860 PolarHBondContact O-N 3.21Å
830	R	95.9	Very high	87.4	Confident	8 Å²	8	17.3 Å²	17.3	3%	0.03	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.9	172.8	-63.7	-177.9	-172.3	-100.7	-5.1	110.7	S733 D738 K739 I740 L741 H860 Y862 E927	S733-R830 WeakPolarHBondContact OG-CD 3.35Å; D738-R830 HydrophobicContact CB-CG 4.36Å; D738-R830 IonicContact OD2-CZ 3.49Å; D738-R830 IonicContact OD2-NE 2.95Å; D738-R830 PolarHBondContact OD2-NE 2.79Å; D738-R830 IonicContact OD2-NH2 3.68Å; D738-R830 PolarHBondContact OD2-NH2 3.4Å; K739-R830 PolarHBondContact O-N 2.99Å; I740-R830 WeakPolarHBondContact CA-O 3.34Å; I740-R830 HydrophobicContact CB-CB 4.16Å; I740-R830 HydrophobicContact CD1-CB 4.3Å; I740-R830 HydrophobicContact CG1-CB 4Å; L741-R830 PolarHBondContact N-O 3.29Å; R830-H860 VanDerWaalsContact CA-O 3.3Å; R830-H860 WeakPolarHBondContact CA-O 3.34Å; R830-H860 HydrophobicContact CG-CB 4.48Å; R830-Y862 HydrophobicContact CB-CE2 4.49Å; R830-Y862 PolarHBondContact NH1-OH 2.75Å; R830-E927 IonicContact CZ-OE1 3.8Å; R830-E927 IonicContact NH1-OE1 2.71Å; R830-E927 PolarHBondContact NH1-OE1 3.41Å; R830-E927 IonicContact NH1-OE2 3.2Å; R830-E927 IonicContact NH2-OE1 2.61Å
831	V	95.5	Very high	88.3	Confident	2 Å²	2	16.6 Å²	16.6	1%	0.012	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	129.5	-179.2	-177.9	0	0	0	0	109.7	L741 F743 V850 H860 I861 Y862	L741-V831 HydrophobicContact CB-CG2 4.4Å; L741-V831 HydrophobicContact CD1-CG2 4.34Å; L741-V831 HydrophobicContact CG-CG2 4.49Å; L741-V831 CarbonylContact O-C 3.54Å; L741-V831 WeakPolarHBondContact O-CA 3.31Å; F743-V831 HydrophobicContact CD2-CG1 3.6Å; F743-V831 HydrophobicContact CE2-CG1 3.62Å; V831-V850 HydrophobicContact CG2-CB 4.23Å; V831-V850 HydrophobicContact CG2-CG2 3.68Å; V831-H860 PolarHBondContact N-O 3.17Å; V831-I861 HydrophobicContact CB-CB 4.48Å; V831-I861 HydrophobicContact CB-CG1 3.96Å; V831-I861 HydrophobicContact CB-CG2 4.33Å; V831-I861 HydrophobicContact CG2-CG1 4.32Å; V831-I861 CarbonylContact O-C 3.38Å; V831-I861 WeakPolarHBondContact O-CA 3.39Å; V831-Y862 PolarHBondContact O-N 2.94Å
832	V	96.7	Very high	89.3	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.7	165.2	-174.7	0	0	0	0	108.5	L726 L729 I740 L741 V742 F743 Y862 L864	L726-V832 HydrophobicContact CD1-CB 4.17Å; L726-V832 HydrophobicContact CD1-CG1 3.95Å; L726-V832 HydrophobicContact CD1-CG2 4.12Å; L729-V832 HydrophobicContact CD1-CG2 4.04Å; I740-V832 HydrophobicContact CD1-CG2 4.06Å; L741-V832 PolarHBondContact O-N 2.81Å; V742-V832 HydrophobicContact CG2-CB 4.34Å; F743-V832 PolarHBondContact N-O 2.69Å; V832-Y862 CarbonylContact C-O 3.58Å; V832-Y862 WeakPolarHBondContact CA-O 3.38Å; V832-Y862 HydrophobicContact CG2-CD2 4.04Å; V832-L864 HydrophobicContact CG1-CD1 4.05Å; V832-L864 HydrophobicContact CG1-CG 4.07Å
833	V	95.5	Very high	90.5	Very high	3 Å²	3	16.1 Å²	16.1	2%	0.018	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	106	159.5	-179.2	0	0	0	0	105.4	D835 V847 Y862 R863 L864	V833-D835 VanDerWaalsContact CG1-O 3.27Å; V833-D835 WeakPolarHBondContact CG1-O 3.22Å; V833-V847 HydrophobicContact CG2-CG2 4.4Å; V833-Y862 PolarHBondContact N-O 3.35Å; V833-R863 HydrophobicContact CB-CG 4.22Å; V833-L864 PolarHBondContact O-N 2.85Å
834	F	96.6	Very high	90.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.087	C	C	.	.			trans	-76.1	-34.2	-172.4	-172.6	-98.8	0	0	0	112	N623 K722 M723 L726 F743 T749 L864	N623-F834 HydrophobicContact CB-CE1 3.86Å; N623-F834 WeakPolarHBondContact OD1-CE1 3.41Å; K722-F834 HydrophobicContact CB-CE1 4.41Å; K722-F834 HydrophobicContact CB-CE2 3.76Å; K722-F834 HydrophobicContact CB-CZ 3.58Å; K722-F834 WeakPolarHBondContact CE-O 3.34Å; K722-F834 PolarHBondContact NZ-O 3.16Å; M723-F834 HydrophobicContact CE-CE1 4.14Å; M723-F834 HydrophobicContact CE-CE2 4.44Å; M723-F834 HydrophobicContact CE-CZ 3.7Å; M723-F834 HydrophobicContact CG-CZ 4.15Å; M723-F834 HydrophobicContact SD-CE1 4.42Å; M723-F834 HydrophobicContact SD-CE2 3.69Å; M723-F834 HydrophobicContact SD-CZ 3.46Å; M723-F834 WeakPolarHBondContact SD-CZ 3.38Å; L726-F834 HydrophobicContact CB-CD2 4.2Å; L726-F834 HydrophobicContact CB-CE2 3.98Å; L726-F834 HydrophobicContact CD1-CD2 4.39Å; L726-F834 HydrophobicContact CD2-CD2 3.81Å; L726-F834 HydrophobicContact CD2-CE2 3.77Å; L726-F834 HydrophobicContact CG-CD2 4.35Å; L726-F834 HydrophobicContact CG-CE2 4.41Å; F743-F834 VanDerWaalsContact O-CB 3.24Å; F743-F834 WeakPolarHBondContact O-CB 3.43Å; F743-F834 PolarHBondContact O-N 2.78Å; T749-F834 HydrophobicContact CG2-CD1 3.8Å; T749-F834 HydrophobicContact CG2-CE1 3.55Å; T749-F834 HydrophobicContact CG2-CZ 4.43Å; F834-L864 HydrophobicContact CD2-CD1 3.86Å; F834-L864 HydrophobicContact CE2-CD1 4.17Å
835	D	94	Very high	91	Very high	3 Å²	3	13.3 Å²	13.3	2%	0.016	7%	0.074	C	C	.	.	S	Bend	trans	-140.6	154.6	178.9	44.6	43.5	0	0	0	112.5	N623 S744 Q745 V833 E871	N623-D835 PolarHBondContact ND2-OD2 3.25Å; S744-D835 VanDerWaalsContact CA-OD1 3.28Å; S744-D835 WeakPolarHBondContact CA-OD1 3.41Å; S744-D835 WeakPolarHBondContact CB-OD2 3.5Å; S744-D835 PolarHBondContact OG-OD2 3.07Å; Q745-D835 WeakPolarHBondContact CG-OD1 3.41Å; Q745-D835 PolarHBondContact N-OD1 3.41Å; Q745-D835 PolarHBondContact N-OD2 3.39Å; V833-D835 VanDerWaalsContact CG1-O 3.27Å; V833-D835 WeakPolarHBondContact CG1-O 3.22Å; D835-E871 WeakPolarHBondContact CA-OE1 3.44Å; D835-E871 WeakPolarHBondContact CB-OE1 3.33Å
836	A	91.5	Very high	90.8	Very high	7 Å²	7	13.3 Å²	13.3	6%	0.058	7%	0.074	C	C	.	.			trans	-93.6	120.3	-170.7	0	0	0	0	0	113	E871 I874	A836-E871 HydrophobicContact CB-CG 4.13Å; A836-E871 PolarHBondContact N-OE1 3.4Å; A836-I874 HydrophobicContact CB-CG2 4.41Å
837	S	88.1	Confident	90.5	Very high	8 Å²	8	11.5 Å²	11.5	6%	0.056	7%	0.065	C	C	.	.			trans	-67.9	149.8	174.8	-179.1	0	0	0	0	113.2	N839 H842 D843 I874 Q878	S837-N839 PolarHBondContact O-N 3.44Å; S837-N839 PolarHBondContact OG-N 3.44Å; S837-N839 PolarHBondContact OG-O 2.98Å; S837-H842 PolarHBondContact OG-ND1 2.86Å; S837-D843 WeakPolarHBondContact CB-OD1 3.32Å; S837-D843 PolarHBondContact N-OD1 2.88Å; S837-I874 WeakPolarHBondContact O-CG2 3.48Å; S837-Q878 VanDerWaalsContact O-CG 3.31Å; S837-Q878 WeakPolarHBondContact O-CG 3.46Å; S837-Q878 PolarHBondContact O-NE2 3.03Å
838	W	88	Confident	90.2	Very high	61 Å²	61	10.8 Å²	10.8	23%	0.231	6%	0.056	C	C	.	.	S	Bend	trans	-59.9	-27.1	165.3	-71.1	104	0	0	0	113.6	F615 I874 K881 L906	F615-W838 HydrophobicContact CB-CZ2 4.23Å; F615-W838 AromaticContact CD1-NE1 3.48Å; F615-W838 AromaticContact CD2-CZ2 3.87Å; F615-W838 HydrophobicContact CD2-CZ2 3.87Å; F615-W838 AromaticContact CD2-NE1 3.74Å; F615-W838 AromaticContact CE1-NE1 3.39Å; F615-W838 HydrophobicContact CE2-CZ2 4.43Å; F615-W838 AromaticContact CE2-NE1 3.66Å; F615-W838 AromaticContact CG-CZ2 3.98Å; F615-W838 HydrophobicContact CG-CZ2 3.98Å; F615-W838 AromaticContact CG-NE1 3.65Å; F615-W838 AromaticContact CZ-NE1 3.49Å; W838-I874 HydrophobicContact CD2-CD1 4.23Å; W838-I874 HydrophobicContact CD2-CG1 4.17Å; W838-I874 HydrophobicContact CD2-CG2 4.24Å; W838-I874 HydrophobicContact CE3-CG1 3.99Å; W838-I874 HydrophobicContact CE3-CG2 4.23Å; W838-I874 HydrophobicContact CH2-CD1 3.92Å; W838-I874 HydrophobicContact CH2-CG1 3.64Å; W838-I874 HydrophobicContact CZ2-CD1 3.54Å; W838-I874 HydrophobicContact CZ2-CG1 3.8Å; W838-I874 HydrophobicContact CZ3-CD1 4.39Å; W838-I874 HydrophobicContact CZ3-CG1 3.73Å; W838-K881 PolarHBondContact O-NZ 2.93Å; W838-L906 HydrophobicContact CH2-CD1 3.92Å; W838-L906 HydrophobicContact CH2-CD2 3.64Å; W838-L906 HydrophobicContact CH2-CG 4.44Å; W838-L906 HydrophobicContact CZ3-CD1 4.48Å; W838-L906 HydrophobicContact CZ3-CD2 3.79Å
839	N	87.2	Confident	89.7	Confident	13 Å²	13	11.2 Å²	11.2	7%	0.07	6%	0.057	C	C	.	.	S	Bend	trans	-107.9	111.6	179.7	-175.9	-4.8	0	0	0	110.3	Q496 S837 C841 H842	Q496-N839 PolarHBondContact OE1-ND2 3.14Å; S837-N839 PolarHBondContact O-N 3.44Å; S837-N839 PolarHBondContact OG-N 3.44Å; S837-N839 PolarHBondContact OG-O 2.98Å; N839-C841 PolarHBondContact O-N 2.83Å; N839-C841 WeakPolarHBondContact OD1-CB 3.49Å; N839-C841 PolarHBondContact OD1-N 3.04Å; N839-C841 VanDerWaalsContact OD1-N 3.08Å; N839-H842 PolarHBondContact ND2-CD2 3.44Å; N839-H842 VanDerWaalsContact ND2-CD2 3.35Å; N839-H842 PolarHBondContact ND2-NE2 3.19Å; N839-H842 PolarHBondContact O-N 3.47Å
840	P	88.6	Confident	89.3	Confident	10 Å²	10	11.1 Å²	11.1	7%	0.065	6%	0.057	C	C	.	.	H	α-helix	trans	-60.1	-21.6	-178.9	26.8	-36	0	0	0	113	H842 A844 Q878 K881	P840-H842 VanDerWaalsContact C-N 3.3Å; P840-H842 PolarHBondContact O-N 3.21Å; P840-A844 VanDerWaalsContact O-CB 3.28Å; P840-A844 WeakPolarHBondContact O-CB 3.15Å; P840-A844 PolarHBondContact O-N 3.2Å; P840-Q878 HydrophobicContact CB-CB 4.05Å; P840-Q878 HydrophobicContact CB-CG 4.27Å; P840-K881 HydrophobicContact CG-CB 3.94Å; P840-K881 HydrophobicContact CG-CD 4.36Å
841	C	87.2	Confident	88.9	Confident	1 Å²	1	11.3 Å²	11.3	1%	0.007	6%	0.058	C	C	.	.	H	α-helix	trans	-64.6	-32.2	176.5	-170.2	0	0	0	0	112.6	Y493 Q496 N839 A844 Q845	Y493-C841 WeakPolarHBondContact CD2-SG 3.5Å; Y493-C841 HydrophobicContact CG-CB 4.38Å; Q496-C841 HydrophobicContact CB-CB 4.44Å; Q496-C841 HydrophobicContact CG-CB 3.9Å; Q496-C841 PolarHBondContact NE2-SG 3.44Å; N839-C841 PolarHBondContact O-N 2.83Å; N839-C841 WeakPolarHBondContact OD1-CB 3.49Å; N839-C841 PolarHBondContact OD1-N 3.04Å; N839-C841 VanDerWaalsContact OD1-N 3.08Å; C841-A844 PolarHBondContact O-N 3.03Å; C841-Q845 WeakPolarHBondContact O-CB 3.31Å; C841-Q845 VanDerWaalsContact O-CG 3.24Å; C841-Q845 WeakPolarHBondContact O-CG 3.43Å; C841-Q845 PolarHBondContact O-N 3.44Å; C841-Q845 PolarHBondContact SG-NE2 2.67Å
842	H	87.1	Confident	88.3	Confident	58 Å²	58	13 Å²	13	27%	0.269	6%	0.064	S	C	.	.	H	α-helix	trans	-65.1	-56.9	-177.5	-64.3	-171.3	0	0	0	110.1	T816 C820 S837 N839 P840 A844 Q845 A846	T816-H842 HydrophobicContact CG2-CB 4.12Å; C820-H842 PolarHBondContact SG-O 2.58Å; S837-H842 PolarHBondContact OG-ND1 2.86Å; N839-H842 PolarHBondContact ND2-CD2 3.44Å; N839-H842 VanDerWaalsContact ND2-CD2 3.35Å; N839-H842 PolarHBondContact ND2-NE2 3.19Å; N839-H842 PolarHBondContact O-N 3.47Å; P840-H842 VanDerWaalsContact C-N 3.3Å; P840-H842 PolarHBondContact O-N 3.21Å; H842-A844 VanDerWaalsContact C-N 3.26Å; H842-A844 PolarHBondContact O-N 3.02Å; H842-Q845 PolarHBondContact O-N 3.04Å; H842-Q845 VanDerWaalsContact O-N 3.15Å; H842-A846 PolarHBondContact O-N 3.4Å
843	D	88.4	Confident	87.5	Confident	1 Å²	1	16.8 Å²	16.8	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-54.8	-42.8	175.4	-50.8	17.8	0	0	0	111.9	S837 A846 V847 R863 Q878	S837-D843 WeakPolarHBondContact CB-OD1 3.32Å; S837-D843 PolarHBondContact N-OD1 2.88Å; D843-A846 PolarHBondContact O-N 2.63Å; D843-V847 WeakPolarHBondContact O-CG2 3.42Å; D843-V847 PolarHBondContact O-N 2.87Å; D843-R863 IonicContact OD2-CZ 2.71Å; D843-R863 IonicContact OD2-NH1 2.67Å; D843-R863 PolarHBondContact OD2-NH1 2.83Å; D843-Q878 PolarHBondContact OD2-NE2 3.25Å
844	A	86.4	Confident	87	Confident	17 Å²	17	18.4 Å²	18.4	14%	0.14	10%	0.096	C	C	.	.	H	α-helix	trans	-69.2	-37.2	-178.7	0	0	0	0	0	112.2	Y493 P840 C841 H842 C848	Y493-A844 HydrophobicContact CE1-CB 3.97Å; Y493-A844 VanDerWaalsContact OH-CB 3.31Å; Y493-A844 WeakPolarHBondContact OH-CB 3.24Å; P840-A844 VanDerWaalsContact O-CB 3.28Å; P840-A844 WeakPolarHBondContact O-CB 3.15Å; P840-A844 PolarHBondContact O-N 3.2Å; C841-A844 PolarHBondContact O-N 3.03Å; H842-A844 VanDerWaalsContact C-N 3.26Å; H842-A844 PolarHBondContact O-N 3.02Å; A844-C848 WeakPolarHBondContact O-CB 3.39Å; A844-C848 PolarHBondContact O-N 2.92Å; A844-C848 PolarHBondContact O-SG 3.12Å
845	Q	85	Confident	86.6	Confident	14 Å²	14	19.2 Å²	19.2	7%	0.065	10%	0.1	C	C	.	.	H	α-helix	trans	-63.4	-44.6	171.4	-76.2	-167.3	52.1	0	0	111.2	M307 Y493 C820 C841 H842 C848 R849	M307-Q845 HydrophobicContact CE-CB 4.26Å; M307-Q845 HydrophobicContact CE-CG 3.58Å; M307-Q845 HydrophobicContact SD-CB 4.17Å; M307-Q845 HydrophobicContact SD-CG 3.81Å; Y493-Q845 HydrophobicContact CD2-CG 4.41Å; Y493-Q845 HydrophobicContact CE2-CG 4.01Å; C820-Q845 PolarHBondContact O-OE1 3.02Å; C841-Q845 WeakPolarHBondContact O-CB 3.31Å; C841-Q845 VanDerWaalsContact O-CG 3.24Å; C841-Q845 WeakPolarHBondContact O-CG 3.43Å; C841-Q845 PolarHBondContact O-N 3.44Å; C841-Q845 PolarHBondContact SG-NE2 2.67Å; H842-Q845 PolarHBondContact O-N 3.04Å; H842-Q845 VanDerWaalsContact O-N 3.15Å; Q845-C848 CarbonylContact O-C 3.54Å; Q845-C848 VanDerWaalsContact O-C 3.32Å; Q845-C848 WeakPolarHBondContact O-CA 3.45Å; Q845-C848 PolarHBondContact O-N 3.31Å; Q845-C848 VanDerWaalsContact O-N 3.13Å; Q845-R849 WeakPolarHBondContact O-CG 3.5Å; Q845-R849 PolarHBondContact O-N 2.96Å; Q845-R849 VanDerWaalsContact O-N 3.08Å
846	A	84.2	Confident	86.5	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.1	-49.9	177.6	0	0	0	0	0	112	F743 T816 H842 D843 C848 R849	F743-A846 HydrophobicContact CD1-CB 3.9Å; F743-A846 HydrophobicContact CD2-CB 4.05Å; F743-A846 HydrophobicContact CE1-CB 3.74Å; F743-A846 HydrophobicContact CE2-CB 3.9Å; F743-A846 HydrophobicContact CG-CB 4.04Å; F743-A846 HydrophobicContact CZ-CB 3.74Å; T816-A846 HydrophobicContact CG2-CB 4.5Å; H842-A846 PolarHBondContact O-N 3.4Å; D843-A846 PolarHBondContact O-N 2.63Å; A846-C848 VanDerWaalsContact C-N 3.28Å; A846-C848 PolarHBondContact O-N 3.24Å; A846-R849 VanDerWaalsContact O-CB 3.28Å; A846-R849 WeakPolarHBondContact O-CB 3.1Å; A846-R849 PolarHBondContact O-N 2.95Å
847	V	85.5	Confident	86.5	Confident	5 Å²	5	30.3 Å²	30.3	3%	0.03	15%	0.147	C	C	.	.	H	α-helix	trans	-57.4	-42.2	171.7	168.9	0	0	0	0	111.4	K574 V833 D843 R849 V850 Y851 I861	K574-V847 HydrophobicContact CD-CG1 4.34Å; V833-V847 HydrophobicContact CG2-CG2 4.4Å; D843-V847 WeakPolarHBondContact O-CG2 3.42Å; D843-V847 PolarHBondContact O-N 2.87Å; V847-R849 PolarHBondContact O-N 3.45Å; V847-R849 VanDerWaalsContact O-N 3.16Å; V847-V850 PolarHBondContact O-N 2.92Å; V847-Y851 PolarHBondContact O-N 3.27Å; V847-I861 HydrophobicContact CG1-CD1 3.93Å; V847-I861 HydrophobicContact CG1-CG1 3.91Å; V847-I861 HydrophobicContact CG2-CG1 4.16Å; V847-I861 HydrophobicContact CG2-CG2 3.7Å
848	C	84.7	Confident	86.8	Confident	11 Å²	11	33.1 Å²	33.1	7%	0.074	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	2.8	176.1	-68.1	0	0	0	0	114.3	M307 A844 Q845 A846 R852	M307-C848 HydrophobicContact CB-CB 3.97Å; M307-C848 HydrophobicContact SD-CB 3.89Å; A844-C848 WeakPolarHBondContact O-CB 3.39Å; A844-C848 PolarHBondContact O-N 2.92Å; A844-C848 PolarHBondContact O-SG 3.12Å; Q845-C848 CarbonylContact O-C 3.54Å; Q845-C848 VanDerWaalsContact O-C 3.32Å; Q845-C848 WeakPolarHBondContact O-CA 3.45Å; Q845-C848 PolarHBondContact O-N 3.31Å; Q845-C848 VanDerWaalsContact O-N 3.13Å; A846-C848 VanDerWaalsContact C-N 3.28Å; A846-C848 PolarHBondContact O-N 3.24Å; C848-R852 WeakPolarHBondContact O-CG 3.43Å; C848-R852 VanDerWaalsContact O-CZ 3.28Å; C848-R852 PolarHBondContact O-NE 3.03Å; C848-R852 PolarHBondContact O-NH2 3.08Å; C848-R852 VanDerWaalsContact O-NH2 3.13Å
849	R	82.7	Confident	87.1	Confident	9 Å²	9	30.4 Å²	30.4	3%	0.034	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-26.5	167.6	-62.4	-69.1	158.1	-157.1	-5.6	112.7	G819 C820 G822 V823 L825 Q845 A846 V847 R852	G819-R849 WeakPolarHBondContact O-CD 3.33Å; G819-R849 WeakPolarHBondContact O-CG 3.43Å; G819-R849 PolarHBondContact O-NE 2.97Å; C820-R849 PolarHBondContact O-NH2 2.98Å; G822-R849 PolarHBondContact O-NH1 2.9Å; V823-R849 HydrophobicContact CG2-CG 4.46Å; V823-R849 WeakPolarHBondContact O-CD 3.35Å; V823-R849 PolarHBondContact O-NH1 2.88Å; L825-R849 HydrophobicContact CB-CB 4.42Å; L825-R849 HydrophobicContact CD1-CB 4.28Å; L825-R849 PolarHBondContact N-O 3.44Å; Q845-R849 WeakPolarHBondContact O-CG 3.5Å; Q845-R849 PolarHBondContact O-N 2.96Å; Q845-R849 VanDerWaalsContact O-N 3.08Å; A846-R849 VanDerWaalsContact O-CB 3.28Å; A846-R849 WeakPolarHBondContact O-CB 3.1Å; A846-R849 PolarHBondContact O-N 2.95Å; V847-R849 PolarHBondContact O-N 3.45Å; V847-R849 VanDerWaalsContact O-N 3.16Å; R849-R852 VanDerWaalsContact CZ-NH2 3.33Å; R849-R852 VanDerWaalsContact NH1-NH1 3.19Å
850	V	87	Confident	87.4	Confident	2 Å²	2	31 Å²	31	1%	0.012	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-37.1	-179.8	-178.8	0	0	0	0	112.1	L741 L825 A828 V831 V847 R852 Q855	L741-V850 HydrophobicContact CD1-CG2 3.28Å; L741-V850 HydrophobicContact CG-CG2 4.12Å; L825-V850 HydrophobicContact CB-CG2 4.32Å; A828-V850 HydrophobicContact CB-CG2 4.25Å; A828-V850 VanDerWaalsContact O-CG1 3.24Å; A828-V850 WeakPolarHBondContact O-CG1 3.48Å; V831-V850 HydrophobicContact CG2-CB 4.23Å; V831-V850 HydrophobicContact CG2-CG2 3.68Å; V847-V850 PolarHBondContact O-N 2.92Å; V850-R852 PolarHBondContact O-N 3.13Å; V850-R852 VanDerWaalsContact O-N 3.1Å; V850-Q855 PolarHBondContact O-NE2 3.42Å
851	Y	86.2	Confident	87.7	Confident	12 Å²	12	30.6 Å²	30.6	5%	0.047	15%	0.154	C	C	.	.	S	Bend	trans	-87	75.7	-177.3	-167.4	-107.1	0	0	0	112.2	L567 L571 P572 K574 V847 C859	L567-Y851 HydrophobicContact CB-CE1 4.16Å; L567-Y851 HydrophobicContact CD1-CE1 4.45Å; L571-Y851 HydrophobicContact CB-CE2 3.9Å; L571-Y851 HydrophobicContact CD1-CD1 4.13Å; L571-Y851 HydrophobicContact CD1-CD2 4.27Å; L571-Y851 HydrophobicContact CD1-CE1 3.89Å; L571-Y851 HydrophobicContact CD1-CE2 4.03Å; L571-Y851 HydrophobicContact CD1-CG 4.32Å; P572-Y851 WeakPolarHBondContact O-CE2 3.25Å; P572-Y851 PolarHBondContact O-OH 3.46Å; K574-Y851 HydrophobicContact CB-CD2 3.89Å; K574-Y851 HydrophobicContact CB-CE2 3.71Å; K574-Y851 HydrophobicContact CB-CG 4.47Å; K574-Y851 HydrophobicContact CD-CG 4.43Å; K574-Y851 HydrophobicContact CG-CD2 4.18Å; K574-Y851 HydrophobicContact CG-CE2 4.49Å; K574-Y851 HydrophobicContact CG-CG 4.44Å; V847-Y851 PolarHBondContact O-N 3.27Å; Y851-C859 HydrophobicContact CD2-CB 4.37Å
852	R	83.4	Confident	88.2	Confident	39 Å²	39	30.5 Å²	30.5	15%	0.147	15%	0.154	C	C	.	.	S	Bend	trans	-138.4	169.9	-180	-64.5	-169.6	179.4	170.7	9.9	112.6	V823 I826 C848 R849 V850 G854 Q855	V823-R852 PolarHBondContact O-NH1 2.99Å; V823-R852 VanDerWaalsContact O-NH1 3.14Å; I826-R852 HydrophobicContact CG2-CB 4.38Å; C848-R852 WeakPolarHBondContact O-CG 3.43Å; C848-R852 VanDerWaalsContact O-CZ 3.28Å; C848-R852 PolarHBondContact O-NE 3.03Å; C848-R852 PolarHBondContact O-NH2 3.08Å; C848-R852 VanDerWaalsContact O-NH2 3.13Å; R849-R852 VanDerWaalsContact CZ-NH2 3.33Å; R849-R852 VanDerWaalsContact NH1-NH1 3.19Å; V850-R852 PolarHBondContact O-N 3.13Å; V850-R852 VanDerWaalsContact O-N 3.1Å; R852-G854 PolarHBondContact O-N 3.02Å; R852-Q855 VanDerWaalsContact O-CB 3.26Å; R852-Q855 WeakPolarHBondContact O-CB 3.49Å; R852-Q855 PolarHBondContact O-N 3.31Å; R852-Q855 VanDerWaalsContact O-N 3.09Å
853	Y	80.9	Confident	88.6	Confident	79 Å²	79	28.1 Å²	28.1	31%	0.31	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	133.6	165.6	-66.3	-63.7	0	0	0	110.8	G308 L567 H570 L571	G308-Y853 VanDerWaalsContact O-CD2 3.24Å; G308-Y853 WeakPolarHBondContact O-CD2 3.48Å; G308-Y853 VanDerWaalsContact O-CE2 3.28Å; G308-Y853 WeakPolarHBondContact O-CE2 3.44Å; L567-Y853 HydrophobicContact CD2-CD2 4.33Å; L567-Y853 HydrophobicContact CD2-CE1 4.09Å; L567-Y853 HydrophobicContact CD2-CE2 3.74Å; H570-Y853 HydrophobicContact CB-CE1 4.2Å; L571-Y853 HydrophobicContact CD2-CD1 4.02Å
854	G	84	Confident	89.1	Confident	37 Å²	37	28.1 Å²	28.1	38%	0.381	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.8	-21.3	-172	0	0	0	0	0	114	R852	R852-G854 PolarHBondContact O-N 3.02Å
855	Q	89.2	Confident	89.6	Confident	16 Å²	16	27.4 Å²	27.4	8%	0.075	14%	0.137	C	C	.	.			trans	-64.8	136.9	171.7	-176.3	52.7	-95.7	0	0	111.4	P572 I826 A828 V850 R852 K857	P572-Q855 HydrophobicContact CG-CG 4.45Å; I826-Q855 HydrophobicContact CG2-CB 4.17Å; I826-Q855 PolarHBondContact O-NE2 3.02Å; A828-Q855 PolarHBondContact O-NE2 3.33Å; V850-Q855 PolarHBondContact O-NE2 3.42Å; R852-Q855 VanDerWaalsContact O-CB 3.26Å; R852-Q855 WeakPolarHBondContact O-CB 3.49Å; R852-Q855 PolarHBondContact O-N 3.31Å; R852-Q855 VanDerWaalsContact O-N 3.09Å; Q855-K857 WeakPolarHBondContact CG-O 3.42Å; Q855-K857 PolarHBondContact OE1-O 3.34Å
856	K	90.6	Very high	90	Very high	163 Å²	163	26.8 Å²	26.8	71%	0.709	13%	0.134	S	C	*	.			trans	-124.6	-24.3	-175.1	-64.5	171.1	-172.1	170.3	0	113.7
857	K	92.8	Very high	90.4	Very high	81 Å²	81	27.1 Å²	27.1	35%	0.352	14%	0.136	S	C	.	.	S	Bend	trans	-95.6	154.1	176	-72.3	-174.7	176	-174	0	110.7	P572 G737 D738 N829 Q855	P572-K857 VanDerWaalsContact CB-O 3.28Å; P572-K857 WeakPolarHBondContact CB-O 3.36Å; P572-K857 WeakPolarHBondContact CG-O 3.41Å; G737-K857 PolarHBondContact O-NZ 2.76Å; D738-K857 IonicContact OD1-NZ 3.48Å; D738-K857 PolarHBondContact OD1-NZ 3.19Å; N829-K857 HydrophobicContact CB-CB 3.6Å; N829-K857 HydrophobicContact CB-CD 3.84Å; N829-K857 HydrophobicContact CB-CG 4.36Å; N829-K857 VanDerWaalsContact OD1-CD 3.27Å; N829-K857 WeakPolarHBondContact OD1-CD 3.5Å; N829-K857 PolarHBondContact OD1-NZ 3.05Å; Q855-K857 WeakPolarHBondContact CG-O 3.42Å; Q855-K857 PolarHBondContact OE1-O 3.34Å
858	P	93.4	Very high	90.6	Very high	67 Å²	67	29.5 Å²	29.5	44%	0.435	14%	0.144	S	C	.	.	P	Polyproline II helix	trans	-56.1	140.8	163.2	-21.6	33.8	0	0	0	111.2	A573 N829	A573-P858 WeakPolarHBondContact O-CA 3.42Å; N829-P858 PolarHBondContact ND2-O 2.72Å
859	C	93.7	Very high	90.9	Very high	3 Å²	3	29 Å²	29	2%	0.02	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	126.5	-179.5	-68.7	0	0	0	0	111	A573 K574 E575 N829 Y851 I861	A573-C859 PolarHBondContact O-N 3.32Å; K574-C859 WeakPolarHBondContact CA-O 3.4Å; K574-C859 HydrophobicContact CB-CB 4.45Å; K574-C859 HydrophobicContact CG-CB 4.13Å; E575-C859 PolarHBondContact N-O 2.88Å; N829-C859 WeakPolarHBondContact O-CA 3.46Å; Y851-C859 HydrophobicContact CD2-CB 4.37Å; C859-I861 HydrophobicContact CB-CD1 4.35Å
860	H	95.2	Very high	91.2	Very high	25 Å²	25	28.9 Å²	28.9	12%	0.116	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124.4	174.3	-51.8	-78	0	0	0	110.2	E575 N829 R830 V831 E927	E575-H860 CarbonylContact O-C 3.57Å; E575-H860 WeakPolarHBondContact O-CA 3.34Å; E575-H860 IonicContact OE2-CE1 2.83Å; E575-H860 PolarHBondContact OE2-CE1 3.32Å; E575-H860 VanDerWaalsContact OE2-CE1 3.3Å; E575-H860 IonicContact OE2-ND1 3.8Å; E575-H860 PolarHBondContact OE2-ND1 2.84Å; N829-H860 PolarHBondContact O-N 3.21Å; R830-H860 VanDerWaalsContact CA-O 3.3Å; R830-H860 WeakPolarHBondContact CA-O 3.34Å; R830-H860 HydrophobicContact CG-CB 4.48Å; V831-H860 PolarHBondContact N-O 3.17Å; H860-E927 HydrophobicContact CB-CG 4.3Å; H860-E927 VanDerWaalsContact ND1-CG 3.33Å; H860-E927 WeakPolarHBondContact ND1-CG 3.41Å
861	I	95.2	Very high	91.5	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	136.4	179.8	-59.1	96.8	0	0	0	109.4	K574 E575 E576 N577 V831 V847 C859	K574-I861 HydrophobicContact CD-CD1 3.78Å; K574-I861 HydrophobicContact CG-CD1 3.43Å; K574-I861 VanDerWaalsContact CG-CD1 3.43Å; E575-I861 WeakPolarHBondContact O-CD1 3.4Å; E575-I861 PolarHBondContact O-N 3.09Å; E576-I861 HydrophobicContact CB-CB 4.15Å; E576-I861 HydrophobicContact CB-CD1 4.45Å; E576-I861 HydrophobicContact CG-CB 3.94Å; E576-I861 HydrophobicContact CG-CG2 3.92Å; N577-I861 PolarHBondContact N-O 3.25Å; V831-I861 HydrophobicContact CB-CB 4.48Å; V831-I861 HydrophobicContact CB-CG1 3.96Å; V831-I861 HydrophobicContact CB-CG2 4.33Å; V831-I861 HydrophobicContact CG2-CG1 4.32Å; V831-I861 CarbonylContact O-C 3.38Å; V831-I861 WeakPolarHBondContact O-CA 3.39Å; V847-I861 HydrophobicContact CG1-CD1 3.93Å; V847-I861 HydrophobicContact CG1-CG1 3.91Å; V847-I861 HydrophobicContact CG2-CG1 4.16Å; V847-I861 HydrophobicContact CG2-CG2 3.7Å; C859-I861 HydrophobicContact CB-CD1 4.35Å
862	Y	96.4	Very high	91.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	124.4	177.8	-46.1	-74.9	0	0	0	109.3	N577 I579 L729 R830 V831 V832 V833 E927 L930	N577-Y862 CarbonylContact O-C 3.47Å; N577-Y862 WeakPolarHBondContact O-CA 3.34Å; I579-Y862 HydrophobicContact CD1-CD1 4.42Å; L729-Y862 HydrophobicContact CD1-CD2 4.03Å; L729-Y862 HydrophobicContact CD1-CG 3.93Å; L729-Y862 HydrophobicContact CD2-CD1 4.33Å; L729-Y862 HydrophobicContact CD2-CD2 4.4Å; L729-Y862 HydrophobicContact CD2-CE1 4.28Å; L729-Y862 HydrophobicContact CD2-CE2 4.34Å; L729-Y862 HydrophobicContact CD2-CG 4.37Å; R830-Y862 HydrophobicContact CB-CE2 4.49Å; R830-Y862 PolarHBondContact NH1-OH 2.75Å; V831-Y862 PolarHBondContact O-N 2.94Å; V832-Y862 CarbonylContact C-O 3.58Å; V832-Y862 WeakPolarHBondContact CA-O 3.38Å; V832-Y862 HydrophobicContact CG2-CD2 4.04Å; V833-Y862 PolarHBondContact N-O 3.35Å; Y862-E927 VanDerWaalsContact OH-CD 3.27Å; Y862-E927 PolarHBondContact OH-OE2 2.78Å; Y862-L930 HydrophobicContact CE1-CB 4.12Å
863	R	96.6	Very high	92	Very high	7 Å²	7	29 Å²	29	3%	0.026	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	112.6	172.3	-67.6	171.9	169.2	-81.3	-1.4	108.6	E576 N577 V578 I579 V833 D843	E576-R863 IonicContact OE1-CZ 3.35Å; E576-R863 VanDerWaalsContact OE1-CZ 3.29Å; E576-R863 IonicContact OE1-NE 2.67Å; E576-R863 PolarHBondContact OE1-NE 2.97Å; E576-R863 IonicContact OE1-NH2 3.7Å; E576-R863 PolarHBondContact OE1-NH2 3.19Å; N577-R863 PolarHBondContact O-N 2.73Å; V578-R863 HydrophobicContact CG2-CB 4.41Å; I579-R863 PolarHBondContact N-O 3.23Å; V833-R863 HydrophobicContact CB-CG 4.22Å; D843-R863 IonicContact OD2-CZ 2.71Å; D843-R863 IonicContact OD2-NH1 2.67Å; D843-R863 PolarHBondContact OD2-NH1 2.83Å
864	L	97.4	Very high	92.5	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	121.6	174.9	-55.6	-174.3	0	0	0	108.7	I579 V581 L726 L729 V832 V833 F834	I579-L864 HydrophobicContact CB-CD2 4Å; I579-L864 HydrophobicContact CD1-CD2 3.87Å; I579-L864 HydrophobicContact CG1-CD2 4.34Å; V581-L864 HydrophobicContact CG2-CB 4.29Å; V581-L864 HydrophobicContact CG2-CD2 4.38Å; L726-L864 HydrophobicContact CB-CD1 4.33Å; L729-L864 HydrophobicContact CD1-CD2 4.36Å; V832-L864 HydrophobicContact CG1-CD1 4.05Å; V832-L864 HydrophobicContact CG1-CG 4.07Å; V833-L864 PolarHBondContact O-N 2.85Å; F834-L864 HydrophobicContact CD2-CD1 3.86Å; F834-L864 HydrophobicContact CE2-CD1 4.17Å
865	V	96.6	Very high	92.9	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.018	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	120.5	-178.8	178.4	0	0	0	0	109.2	V578 I579 L580 V581 D867 E871 K872 Y875	V578-V865 HydrophobicContact CG1-CG2 4.36Å; I579-V865 PolarHBondContact O-N 3.17Å; I579-V865 VanDerWaalsContact O-N 3.08Å; L580-V865 WeakPolarHBondContact CA-O 3.49Å; L580-V865 HydrophobicContact CD2-CB 4.07Å; L580-V865 HydrophobicContact CD2-CG1 4.26Å; V581-V865 PolarHBondContact N-O 3.13Å; V865-D867 PolarHBondContact O-N 3.45Å; V865-D867 VanDerWaalsContact O-N 3.09Å; V865-E871 HydrophobicContact CG1-CG 4.29Å; V865-K872 HydrophobicContact CG1-CB 4.3Å; V865-K872 HydrophobicContact CG1-CD 4.07Å; V865-Y875 HydrophobicContact CG1-CG 4.48Å; V865-Y875 HydrophobicContact CG2-CD2 4.08Å; V865-Y875 HydrophobicContact CG2-CG 4.21Å
866	A	95.3	Very high	92.9	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.008	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	105	175.2	0	0	0	0	0	110.4	V581 L583 W622 K722 T869 E871	V581-A866 CarbonylContact O-C 3.57Å; V581-A866 WeakPolarHBondContact O-CA 3.24Å; L583-A866 HydrophobicContact CD2-CB 3.99Å; W622-A866 HydrophobicContact CB-CB 4.03Å; W622-A866 HydrophobicContact CG-CB 4.37Å; K722-A866 HydrophobicContact CD-CB 4.5Å; A866-T869 HydrophobicContact CB-CG2 3.73Å; A866-T869 PolarHBondContact O-OG1 2.93Å; A866-E871 HydrophobicContact CB-CB 4.44Å; A866-E871 WeakPolarHBondContact CB-OE2 3.42Å; A866-E871 PolarHBondContact N-OE2 2.83Å
867	D	92	Very high	92.8	Very high	7 Å²	7	18.8 Å²	18.8	4%	0.037	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	156.4	176.2	-155.1	13.8	0	0	0	110.3	L580 V581 V865 T869 T942 K943	L580-D867 HydrophobicContact CB-CB 4.14Å; V581-D867 PolarHBondContact O-N 3.38Å; V865-D867 PolarHBondContact O-N 3.45Å; V865-D867 VanDerWaalsContact O-N 3.09Å; D867-T869 PolarHBondContact O-N 2.87Å; D867-T869 VanDerWaalsContact O-N 3.15Å; D867-T942 HydrophobicContact CB-CG2 3.9Å; D867-T942 WeakPolarHBondContact OD2-CB 3.46Å; D867-T942 PolarHBondContact OD2-OG1 3.24Å; D867-K943 VanDerWaalsContact CG-NZ 3.31Å; D867-K943 IonicContact OD1-NZ 3.05Å; D867-K943 PolarHBondContact OD1-NZ 3.2Å; D867-K943 IonicContact OD2-NZ 2.65Å; D867-K943 PolarHBondContact OD2-NZ 3.37Å
868	Y	89	Confident	92.8	Very high	55 Å²	55	15 Å²	15	22%	0.216	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	11.5	-177.9	-54.5	-70.7	0	0	0	115.5	V910 E913 P914 T942	Y868-V910 HydrophobicContact CD1-CG1 3.76Å; Y868-V910 HydrophobicContact CD1-CG2 3.95Å; Y868-V910 HydrophobicContact CG-CG1 4.23Å; Y868-V910 HydrophobicContact CG-CG2 4.43Å; Y868-E913 HydrophobicContact CD2-CG 3.65Å; Y868-E913 HydrophobicContact CE2-CG 3.64Å; Y868-E913 HydrophobicContact CG-CG 4.26Å; Y868-P914 HydrophobicContact CE2-CG 4.35Å; Y868-P914 WeakPolarHBondContact OH-CD 3.49Å; Y868-P914 VanDerWaalsContact OH-CG 3.32Å; Y868-P914 WeakPolarHBondContact OH-CG 3.4Å; Y868-T942 HydrophobicContact CD2-CG2 4.39Å; Y868-T942 HydrophobicContact CE2-CG2 4.05Å
869	T	90.8	Very high	92.7	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	5%	0.053	C	C	.	.	S	Bend	trans	-113.8	177.6	175.3	75.4	0	0	0	0	113.1	L583 Y591 W622 A866 D867 E871 K872	L583-T869 HydrophobicContact CD1-CG2 3.66Å; L583-T869 HydrophobicContact CD2-CG2 4.14Å; L583-T869 HydrophobicContact CG-CG2 3.89Å; Y591-T869 HydrophobicContact CE2-CG2 4.47Å; Y591-T869 WeakPolarHBondContact OH-CA 3.31Å; W622-T869 HydrophobicContact CE3-CG2 4.48Å; A866-T869 HydrophobicContact CB-CG2 3.73Å; A866-T869 PolarHBondContact O-OG1 2.93Å; D867-T869 PolarHBondContact O-N 2.87Å; D867-T869 VanDerWaalsContact O-N 3.15Å; T869-E871 VanDerWaalsContact C-N 3.3Å; T869-E871 WeakPolarHBondContact OG1-CB 3.28Å; T869-E871 PolarHBondContact OG1-N 3.46Å; T869-K872 PolarHBondContact O-N 3.48Å
870	L	89.4	Confident	92.5	Very high	6 Å²	6	13.1 Å²	13.1	3%	0.031	6%	0.06	C	C	.	.	H	α-helix	trans	-62.2	-30.2	165.9	168.9	70.7	0	0	0	112.6	Y591 F615 W622 K872 K873 I874 L906	Y591-L870 PolarHBondContact OH-N 3.26Å; F615-L870 HydrophobicContact CB-CD2 4.37Å; F615-L870 HydrophobicContact CD2-CD2 4.34Å; W622-L870 HydrophobicContact CH2-CB 4.15Å; W622-L870 HydrophobicContact CH2-CD2 4.18Å; W622-L870 HydrophobicContact CH2-CG 4.16Å; W622-L870 HydrophobicContact CZ3-CB 3.82Å; W622-L870 HydrophobicContact CZ3-CD2 4.41Å; W622-L870 HydrophobicContact CZ3-CG 4.32Å; L870-K872 VanDerWaalsContact C-N 3.28Å; L870-K872 PolarHBondContact O-N 3.4Å; L870-K873 HydrophobicContact CD1-CB 4.46Å; L870-K873 WeakPolarHBondContact O-CA 3.27Å; L870-K873 WeakPolarHBondContact O-CB 3.27Å; L870-K873 PolarHBondContact O-N 3.07Å; L870-I874 HydrophobicContact CG-CD1 4.26Å; L870-I874 WeakPolarHBondContact O-CG1 3.4Å; L870-I874 PolarHBondContact O-N 3.47Å; L870-L906 HydrophobicContact CD1-CB 3.8Å; L870-L906 HydrophobicContact CD1-CD2 3.85Å; L870-L906 HydrophobicContact CD1-CG 4.32Å; L870-L906 WeakPolarHBondContact CD1-O 3.47Å
871	E	93	Very high	92.3	Very high	2 Å²	2	14 Å²	14	1%	0.009	6%	0.063	C	C	.	.	H	α-helix	trans	-58.1	-41.7	174.3	-167.9	177.7	-146.4	0	0	111.4	W622 K722 D835 A836 V865 A866 T869 K873 I874 Y875	W622-E871 HydrophobicContact CD2-CB 3.93Å; W622-E871 HydrophobicContact CE3-CB 4.16Å; W622-E871 HydrophobicContact CH2-CB 4.12Å; W622-E871 HydrophobicContact CZ2-CB 3.86Å; W622-E871 HydrophobicContact CZ2-CG 4.35Å; W622-E871 HydrophobicContact CZ3-CB 4.24Å; K722-E871 IonicContact NZ-OE1 3.24Å; K722-E871 PolarHBondContact NZ-OE1 3.19Å; K722-E871 IonicContact NZ-OE2 3.3Å; K722-E871 PolarHBondContact NZ-OE2 3.45Å; D835-E871 WeakPolarHBondContact CA-OE1 3.44Å; D835-E871 WeakPolarHBondContact CB-OE1 3.33Å; A836-E871 HydrophobicContact CB-CG 4.13Å; A836-E871 PolarHBondContact N-OE1 3.4Å; V865-E871 HydrophobicContact CG1-CG 4.29Å; A866-E871 HydrophobicContact CB-CB 4.44Å; A866-E871 WeakPolarHBondContact CB-OE2 3.42Å; A866-E871 PolarHBondContact N-OE2 2.83Å; T869-E871 VanDerWaalsContact C-N 3.3Å; T869-E871 WeakPolarHBondContact OG1-CB 3.28Å; T869-E871 PolarHBondContact OG1-N 3.46Å; E871-K873 PolarHBondContact O-N 3.09Å; E871-I874 WeakPolarHBondContact O-CB 3.21Å; E871-I874 PolarHBondContact O-N 2.68Å; E871-I874 VanDerWaalsContact O-N 3.11Å; E871-Y875 PolarHBondContact O-N 2.89Å
872	K	91.6	Very high	92	Very high	30 Å²	30	15.3 Å²	15.3	13%	0.13	7%	0.069	C	C	.	.	H	α-helix	trans	-61.5	-32.5	174.8	-178.1	59.2	178.1	69.5	0	112.6	L580 V865 T869 L870 D876	L580-K872 HydrophobicContact CD2-CD 3.98Å; V865-K872 HydrophobicContact CG1-CB 4.3Å; V865-K872 HydrophobicContact CG1-CD 4.07Å; T869-K872 PolarHBondContact O-N 3.48Å; L870-K872 VanDerWaalsContact C-N 3.28Å; L870-K872 PolarHBondContact O-N 3.4Å; K872-D876 IonicContact NZ-OD1 2.77Å; K872-D876 PolarHBondContact NZ-OD1 2.95Å; K872-D876 IonicContact NZ-OD2 3.97Å; K872-D876 PolarHBondContact NZ-OD2 2.76Å; K872-D876 VanDerWaalsContact O-CG 3.26Å; K872-D876 PolarHBondContact O-N 3.05Å
873	K	89.2	Confident	91.8	Very high	23 Å²	23	15.7 Å²	15.7	10%	0.1	7%	0.073	C	C	.	.	H	α-helix	trans	-73.7	-33.9	174.2	-69.9	-59	-160	171.8	0	112.9	L870 E871 D876 R877 E902 H908	L870-K873 HydrophobicContact CD1-CB 4.46Å; L870-K873 WeakPolarHBondContact O-CA 3.27Å; L870-K873 WeakPolarHBondContact O-CB 3.27Å; L870-K873 PolarHBondContact O-N 3.07Å; E871-K873 PolarHBondContact O-N 3.09Å; K873-D876 PolarHBondContact O-N 2.92Å; K873-R877 WeakPolarHBondContact O-CB 3.23Å; K873-R877 WeakPolarHBondContact O-CG 3.41Å; K873-R877 PolarHBondContact O-N 3.08Å; K873-E902 PolarHBondContact NZ-O 2.83Å; K873-H908 HydrophobicContact CG-CB 4.1Å
874	I	90.5	Very high	91.5	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-64.9	-46.8	172.5	-64.3	168.9	0	0	0	109.7	F615 A836 S837 W838 L870 E871 D876 R877 Q878	F615-I874 HydrophobicContact CD2-CD1 3.48Å; F615-I874 VanDerWaalsContact CD2-CD1 3.48Å; F615-I874 HydrophobicContact CE2-CD1 3.24Å; F615-I874 HydrophobicContact CZ-CD1 4.3Å; A836-I874 HydrophobicContact CB-CG2 4.41Å; S837-I874 WeakPolarHBondContact O-CG2 3.48Å; W838-I874 HydrophobicContact CD2-CD1 4.23Å; W838-I874 HydrophobicContact CD2-CG1 4.17Å; W838-I874 HydrophobicContact CD2-CG2 4.24Å; W838-I874 HydrophobicContact CE3-CG1 3.99Å; W838-I874 HydrophobicContact CE3-CG2 4.23Å; W838-I874 HydrophobicContact CH2-CD1 3.92Å; W838-I874 HydrophobicContact CH2-CG1 3.64Å; W838-I874 HydrophobicContact CZ2-CD1 3.54Å; W838-I874 HydrophobicContact CZ2-CG1 3.8Å; W838-I874 HydrophobicContact CZ3-CD1 4.39Å; W838-I874 HydrophobicContact CZ3-CG1 3.73Å; L870-I874 HydrophobicContact CG-CD1 4.26Å; L870-I874 WeakPolarHBondContact O-CG1 3.4Å; L870-I874 PolarHBondContact O-N 3.47Å; E871-I874 WeakPolarHBondContact O-CB 3.21Å; E871-I874 PolarHBondContact O-N 2.68Å; E871-I874 VanDerWaalsContact O-N 3.11Å; I874-D876 PolarHBondContact O-N 3.43Å; I874-R877 CarbonylContact O-C 3.42Å; I874-R877 WeakPolarHBondContact O-CA 3.05Å; I874-R877 WeakPolarHBondContact O-CB 3.38Å; I874-R877 PolarHBondContact O-N 2.86Å; I874-R877 VanDerWaalsContact O-N 3.14Å; I874-Q878 PolarHBondContact O-N 3.39Å
875	Y	92.3	Very high	91.2	Very high	1 Å²	1	15.8 Å²	15.8	0%	0.004	7%	0.074	C	C	.	.	H	α-helix	trans	-59.7	-42.3	173.8	180	-94.9	0	0	0	113.1	V578 V865 E871 R877 Q878 I879 F946 H948 L951	V578-Y875 HydrophobicContact CG1-CE1 4.49Å; V578-Y875 HydrophobicContact CG1-CE2 4.47Å; V578-Y875 HydrophobicContact CG2-CE2 4.32Å; V578-Y875 WeakPolarHBondContact CG2-OH 3.34Å; V865-Y875 HydrophobicContact CG1-CG 4.48Å; V865-Y875 HydrophobicContact CG2-CD2 4.08Å; V865-Y875 HydrophobicContact CG2-CG 4.21Å; E871-Y875 PolarHBondContact O-N 2.89Å; Y875-R877 VanDerWaalsContact C-N 3.31Å; Y875-R877 PolarHBondContact O-N 2.64Å; Y875-Q878 WeakPolarHBondContact O-CB 3.18Å; Y875-Q878 PolarHBondContact O-N 3.08Å; Y875-I879 HydrophobicContact CD1-CG1 4.38Å; Y875-I879 HydrophobicContact CE1-CD1 4.41Å; Y875-I879 HydrophobicContact CE1-CG1 3.78Å; Y875-I879 HydrophobicContact CE2-CD1 4.5Å; Y875-I879 HydrophobicContact CE2-CG1 4.4Å; Y875-I879 PolarHBondContact O-N 3.23Å; Y875-F946 HydrophobicContact CE1-CZ 4.48Å; Y875-H948 AromaticContact CE2-ND1 3.77Å; Y875-H948 AromaticContact CZ-ND1 3.79Å; Y875-H948 PolarHBondContact OH-ND1 3.34Å; Y875-L951 HydrophobicContact CE1-CD1 4.08Å
876	D	90.5	Very high	90.9	Very high	18 Å²	18	16.4 Å²	16.4	10%	0.096	8%	0.077	C	C	.	.	H	α-helix	trans	-65.3	-35	175.7	-69.9	-23.6	0	0	0	112	K872 K873 I874 I879 S880 F898	K872-D876 IonicContact NZ-OD1 2.77Å; K872-D876 PolarHBondContact NZ-OD1 2.95Å; K872-D876 IonicContact NZ-OD2 3.97Å; K872-D876 PolarHBondContact NZ-OD2 2.76Å; K872-D876 VanDerWaalsContact O-CG 3.26Å; K872-D876 PolarHBondContact O-N 3.05Å; K873-D876 PolarHBondContact O-N 2.92Å; I874-D876 PolarHBondContact O-N 3.43Å; D876-I879 PolarHBondContact O-N 2.93Å; D876-S880 PolarHBondContact O-N 2.91Å; D876-F898 HydrophobicContact CB-CD1 4.33Å; D876-F898 HydrophobicContact CB-CE1 3.72Å; D876-F898 HydrophobicContact CB-CE2 4.13Å; D876-F898 HydrophobicContact CB-CZ 3.6Å; D876-F898 VanDerWaalsContact CG-CE1 3.44Å; D876-F898 WeakPolarHBondContact O-CE2 3.33Å; D876-F898 WeakPolarHBondContact OD1-CE1 3.23Å; D876-F898 WeakPolarHBondContact OD1-CZ 3.44Å
877	R	88.9	Confident	90.7	Very high	62 Å²	62	17 Å²	17	23%	0.234	8%	0.079	C	C	.	.	H	α-helix	trans	-65.9	-40.6	170.2	-77.4	179.2	168.3	-154.5	-0.8	112.4	K873 I874 Y875 I879 S880 K881 V903 E904	K873-R877 WeakPolarHBondContact O-CB 3.23Å; K873-R877 WeakPolarHBondContact O-CG 3.41Å; K873-R877 PolarHBondContact O-N 3.08Å; I874-R877 CarbonylContact O-C 3.42Å; I874-R877 WeakPolarHBondContact O-CA 3.05Å; I874-R877 WeakPolarHBondContact O-CB 3.38Å; I874-R877 PolarHBondContact O-N 2.86Å; I874-R877 VanDerWaalsContact O-N 3.14Å; Y875-R877 VanDerWaalsContact C-N 3.31Å; Y875-R877 PolarHBondContact O-N 2.64Å; R877-I879 VanDerWaalsContact C-N 3.34Å; R877-I879 PolarHBondContact O-N 3.47Å; R877-S880 PolarHBondContact O-N 3.03Å; R877-K881 WeakPolarHBondContact O-CG 3.44Å; R877-K881 PolarHBondContact O-N 2.93Å; R877-V903 HydrophobicContact CG-CG1 4.28Å; R877-V903 VanDerWaalsContact CZ-O 3.29Å; R877-V903 PolarHBondContact NE-O 2.67Å; R877-V903 PolarHBondContact NH2-O 2.85Å; R877-E904 PolarHBondContact NH2-O 2.92Å
878	Q	90.9	Very high	90.7	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.009	8%	0.078	C	C	.	.	H	α-helix	trans	-54.9	-49.9	172.4	-71.4	-174.6	-22.1	0	0	110.7	S837 P840 D843 I874 Y875 S880 K881 Q882	S837-Q878 VanDerWaalsContact O-CG 3.31Å; S837-Q878 WeakPolarHBondContact O-CG 3.46Å; S837-Q878 PolarHBondContact O-NE2 3.03Å; P840-Q878 HydrophobicContact CB-CB 4.05Å; P840-Q878 HydrophobicContact CB-CG 4.27Å; D843-Q878 PolarHBondContact OD2-NE2 3.25Å; I874-Q878 PolarHBondContact O-N 3.39Å; Y875-Q878 WeakPolarHBondContact O-CB 3.18Å; Y875-Q878 PolarHBondContact O-N 3.08Å; Q878-S880 PolarHBondContact O-N 3.48Å; Q878-K881 PolarHBondContact O-N 3.38Å; Q878-Q882 WeakPolarHBondContact O-CB 3.4Å; Q878-Q882 PolarHBondContact O-N 3.37Å
879	I	91.2	Very high	90.7	Very high	5 Å²	5	14.2 Å²	14.2	3%	0.026	7%	0.069	C	C	.	.	H	α-helix	trans	-62.4	-39.6	179	-66.3	-64.9	0	0	0	112	Y875 D876 R877 G883 F898 H948 L951 L952	Y875-I879 HydrophobicContact CD1-CG1 4.38Å; Y875-I879 HydrophobicContact CE1-CD1 4.41Å; Y875-I879 HydrophobicContact CE1-CG1 3.78Å; Y875-I879 HydrophobicContact CE2-CD1 4.5Å; Y875-I879 HydrophobicContact CE2-CG1 4.4Å; Y875-I879 PolarHBondContact O-N 3.23Å; D876-I879 PolarHBondContact O-N 2.93Å; R877-I879 VanDerWaalsContact C-N 3.34Å; R877-I879 PolarHBondContact O-N 3.47Å; I879-G883 PolarHBondContact O-N 3Å; I879-F898 HydrophobicContact CB-CE2 4.05Å; I879-F898 HydrophobicContact CB-CZ 4.28Å; I879-F898 HydrophobicContact CG2-CE2 3.84Å; I879-F898 HydrophobicContact CG2-CZ 4.15Å; I879-H948 VanDerWaalsContact CD1-CE1 3.44Å; I879-H948 WeakPolarHBondContact CD1-CE1 3.25Å; I879-L951 HydrophobicContact CD1-CB 4.26Å; I879-L951 HydrophobicContact CD1-CD1 3.95Å; I879-L951 HydrophobicContact CG1-CD1 3.89Å; I879-L951 HydrophobicContact CG2-CB 4.16Å; I879-L951 HydrophobicContact CG2-CD1 4.29Å; I879-L952 HydrophobicContact CG2-CD2 4.29Å
880	S	89.7	Confident	90.4	Very high	25 Å²	25	16.1 Å²	16.1	18%	0.175	8%	0.079	C	C	.	.	H	α-helix	trans	-65.6	-39.3	174.8	-164.5	0	0	0	0	112.5	D876 R877 Q878 M884	D876-S880 PolarHBondContact O-N 2.91Å; R877-S880 PolarHBondContact O-N 3.03Å; Q878-S880 PolarHBondContact O-N 3.48Å; S880-M884 PolarHBondContact O-N 2.92Å; S880-M884 VanDerWaalsContact O-N 3.13Å
881	K	91.1	Very high	90.3	Very high	44 Å²	44	17.7 Å²	17.7	19%	0.191	9%	0.087	C	C	.	.	H	α-helix	trans	-65.4	-48.5	175.6	-73.8	173.5	174.3	-173.2	0	111	N497 W838 P840 R877 Q878 M884 S885	N497-K881 HydrophobicContact CB-CD 4.41Å; N497-K881 PolarHBondContact OD1-NZ 3.39Å; W838-K881 PolarHBondContact O-NZ 2.93Å; P840-K881 HydrophobicContact CG-CB 3.94Å; P840-K881 HydrophobicContact CG-CD 4.36Å; R877-K881 WeakPolarHBondContact O-CG 3.44Å; R877-K881 PolarHBondContact O-N 2.93Å; Q878-K881 PolarHBondContact O-N 3.38Å; K881-M884 WeakPolarHBondContact O-CB 3.4Å; K881-M884 PolarHBondContact O-N 3.28Å; K881-S885 PolarHBondContact O-N 3.02Å
882	Q	90.3	Very high	90	Very high	28 Å²	28	20.1 Å²	20.1	13%	0.131	10%	0.1	C	C	.	.	H	α-helix	trans	-63.8	-45.4	178.8	-169.3	60.2	53.5	0	0	111.5	Q878 M884 S885 D886 L952	Q878-Q882 WeakPolarHBondContact O-CB 3.4Å; Q878-Q882 PolarHBondContact O-N 3.37Å; Q882-M884 PolarHBondContact O-N 3.13Å; Q882-S885 CarbonylContact O-C 3.58Å; Q882-S885 WeakPolarHBondContact O-CA 3.49Å; Q882-S885 WeakPolarHBondContact O-CB 3.41Å; Q882-S885 PolarHBondContact O-N 3.25Å; Q882-D886 PolarHBondContact NE2-OD1 3.38Å; Q882-D886 PolarHBondContact O-N 2.98Å; Q882-L952 HydrophobicContact CB-CD1 4.29Å; Q882-L952 HydrophobicContact CB-CD2 4.3Å; Q882-L952 HydrophobicContact CG-CD1 3.61Å; Q882-L952 HydrophobicContact CG-CD2 4.29Å
883	G	91.1	Very high	89.7	Confident	8 Å²	8	19.4 Å²	19.4	8%	0.082	10%	0.097	C	C	.	.	H	α-helix	trans	-66.1	-16.9	175.9	0	0	0	0	0	114.9	I879 R887 P894	I879-G883 PolarHBondContact O-N 3Å; G883-R887 WeakPolarHBondContact O-CB 3.3Å; G883-P894 VanDerWaalsContact O-CG 3.32Å; G883-P894 WeakPolarHBondContact O-CG 3.34Å
884	M	90.7	Very high	89.5	Confident	8 Å²	8	18.6 Å²	18.6	4%	0.039	10%	0.095	C	C	.	.	H	α-helix	trans	-79.7	-42.5	165.7	166.9	170.3	46.5	0	0	111.4	L495 N497 L499 L529 Q532 S880 K881 Q882 R887 V888	L495-M884 HydrophobicContact CD2-CG 4.39Å; N497-M884 WeakPolarHBondContact O-CE 3.36Å; L499-M884 HydrophobicContact CD1-SD 4.09Å; L499-M884 HydrophobicContact CG-SD 3.96Å; L529-M884 HydrophobicContact CD2-CE 4.43Å; L529-M884 HydrophobicContact CD2-SD 3.94Å; Q532-M884 PolarHBondContact NE2-SD 3.38Å; S880-M884 PolarHBondContact O-N 2.92Å; S880-M884 VanDerWaalsContact O-N 3.13Å; K881-M884 WeakPolarHBondContact O-CB 3.4Å; K881-M884 PolarHBondContact O-N 3.28Å; Q882-M884 PolarHBondContact O-N 3.13Å; M884-R887 PolarHBondContact O-N 2.84Å; M884-V888 PolarHBondContact O-N 3.22Å
885	S	91.1	Very high	89.1	Confident	2 Å²	2	22.2 Å²	22.2	1%	0.014	11%	0.113	C	C	.	.	H	α-helix	trans	-58.3	-55.7	173.5	177.6	0	0	0	0	111.6	K881 Q882 R887 V888 V889	K881-S885 PolarHBondContact O-N 3.02Å; Q882-S885 CarbonylContact O-C 3.58Å; Q882-S885 WeakPolarHBondContact O-CA 3.49Å; Q882-S885 WeakPolarHBondContact O-CB 3.41Å; Q882-S885 PolarHBondContact O-N 3.25Å; S885-R887 PolarHBondContact O-N 3.45Å; S885-V888 PolarHBondContact O-N 2.92Å; S885-V889 VanDerWaalsContact O-CB 3.29Å; S885-V889 WeakPolarHBondContact O-CB 3.32Å; S885-V889 WeakPolarHBondContact O-CG2 3.21Å; S885-V889 PolarHBondContact O-N 3Å
886	D	90.2	Very high	88.8	Confident	16 Å²	16	24.1 Å²	24.1	9%	0.086	12%	0.122	C	C	.	.	H	α-helix	trans	-53.5	-33.6	-178.4	-64.4	-10.5	0	0	0	112.4	Q882 D890 D891 L892 P894	Q882-D886 PolarHBondContact NE2-OD1 3.38Å; Q882-D886 PolarHBondContact O-N 2.98Å; D886-D890 CarbonylContact O-C 3.55Å; D886-D890 WeakPolarHBondContact O-CB 3.4Å; D886-D890 PolarHBondContact O-N 2.88Å; D886-D891 PolarHBondContact O-N 2.61Å; D886-L892 HydrophobicContact CB-CB 4.23Å; D886-L892 HydrophobicContact CB-CD1 4.14Å; D886-L892 WeakPolarHBondContact O-CB 3.14Å; D886-L892 PolarHBondContact O-N 2.84Å; D886-P894 HydrophobicContact CB-CG 4.34Å
887	R	91.1	Very high	88.4	Confident	13 Å²	13	25.6 Å²	25.6	5%	0.049	13%	0.13	C	C	.	.	H	α-helix	trans	-80.4	-32	-179.8	-170	180	-58.1	120.1	3.1	114.7	M544 G883 M884 S885 L892 P894 L896	M544-R887 WeakPolarHBondContact SD-CD 3.5Å; G883-R887 WeakPolarHBondContact O-CB 3.3Å; M884-R887 PolarHBondContact O-N 2.84Å; S885-R887 PolarHBondContact O-N 3.45Å; R887-L892 VanDerWaalsContact CA-O 3.24Å; R887-L892 WeakPolarHBondContact CA-O 3.29Å; R887-L892 WeakPolarHBondContact CB-O 3.25Å; R887-L892 WeakPolarHBondContact CG-O 3.23Å; R887-P894 PolarHBondContact NH2-O 3.03Å; R887-P894 VanDerWaalsContact NH2-O 3.08Å; R887-L896 VanDerWaalsContact NH2-CD2 3.32Å
888	V	91.4	Very high	88.2	Confident	1 Å²	1	24 Å²	24	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-97.3	-27.9	-175.9	174.2	0	0	0	0	112.1	L495 L499 Y502 I528 L551 M884 S885	L495-V888 HydrophobicContact CD2-CB 4.34Å; L499-V888 HydrophobicContact CD2-CB 4.46Å; L499-V888 HydrophobicContact CD2-CG1 4Å; L499-V888 HydrophobicContact CD2-CG2 4.21Å; Y502-V888 HydrophobicContact CD1-CG1 4.33Å; Y502-V888 HydrophobicContact CE1-CG1 4.19Å; I528-V888 HydrophobicContact CD1-CG2 4.34Å; I528-V888 HydrophobicContact CG2-CG2 4.39Å; L551-V888 HydrophobicContact CD2-CG1 3.74Å; L551-V888 HydrophobicContact CG-CG1 4.34Å; M884-V888 PolarHBondContact O-N 3.22Å; S885-V888 PolarHBondContact O-N 2.92Å
889	V	89	Confident	87.9	Confident	4 Å²	4	25.8 Å²	25.8	2%	0.024	14%	0.136	C	C	.	.	H	α-helix	trans	-102.2	-34.5	-174.4	-177.8	0	0	0	0	112.2	P494 L495 R561 S885	P494-V889 HydrophobicContact CG-CB 4.41Å; P494-V889 HydrophobicContact CG-CG1 3.52Å; P494-V889 HydrophobicContact CG-CG2 3.91Å; L495-V889 HydrophobicContact CB-CG2 4.06Å; L495-V889 HydrophobicContact CD2-CG2 4.31Å; R561-V889 HydrophobicContact CG-CG1 4.1Å; S885-V889 VanDerWaalsContact O-CB 3.29Å; S885-V889 WeakPolarHBondContact O-CB 3.32Å; S885-V889 WeakPolarHBondContact O-CG2 3.21Å; S885-V889 PolarHBondContact O-N 3Å
890	D	86.4	Confident	87.5	Confident	39 Å²	39	28.8 Å²	28.8	21%	0.209	15%	0.147	C	C	.	.	S	Bend	trans	-118.7	12.4	-172.1	-67.9	-79.3	0	0	0	113.7	R561 D886 L892	R561-D890 WeakPolarHBondContact CG-OD1 3.42Å; R561-D890 IonicContact CZ-OD1 3.18Å; R561-D890 IonicContact CZ-OD2 3.18Å; R561-D890 VanDerWaalsContact NE-CG 3.31Å; R561-D890 IonicContact NE-OD1 3.31Å; R561-D890 PolarHBondContact NE-OD1 3.49Å; R561-D890 IonicContact NE-OD2 3.46Å; R561-D890 PolarHBondContact NE-OD2 2.63Å; R561-D890 VanDerWaalsContact NE-OD2 3.1Å; R561-D890 IonicContact NH2-OD1 3.38Å; R561-D890 IonicContact NH2-OD2 3.6Å; R561-D890 PolarHBondContact NH2-OD2 2.98Å; D886-D890 CarbonylContact O-C 3.55Å; D886-D890 WeakPolarHBondContact O-CB 3.4Å; D886-D890 PolarHBondContact O-N 2.88Å; D890-L892 HydrophobicContact CB-CD1 4.1Å; D890-L892 HydrophobicContact CB-CG 3.81Å; D890-L892 WeakPolarHBondContact O-CD2 2.88Å; D890-L892 WeakPolarHBondContact O-CG 3.45Å; D890-L892 PolarHBondContact O-N 2.84Å
891	D	86.3	Confident	87.1	Confident	39 Å²	39	34.5 Å²	34.5	21%	0.209	17%	0.169	C	C	.	.			trans	48.7	23.1	-174.8	-154.5	40.8	0	0	0	114	H549 D886 N893 K965	H549-D891 IonicContact ND1-OD1 3.13Å; D886-D891 PolarHBondContact O-N 2.61Å; D891-N893 PolarHBondContact O-ND2 2.76Å; D891-K965 IonicContact OD2-NZ 3.54Å; D891-K965 PolarHBondContact OD2-NZ 3.38Å
892	L	86.3	Confident	86.5	Confident	53 Å²	53	36.6 Å²	36.6	28%	0.277	18%	0.18	S	C	.	.			trans	-81.1	153.9	-178.3	-52.7	-175.8	0	0	0	111.6	D886 R887 D890 P894 N954	D886-L892 HydrophobicContact CB-CB 4.23Å; D886-L892 HydrophobicContact CB-CD1 4.14Å; D886-L892 WeakPolarHBondContact O-CB 3.14Å; D886-L892 PolarHBondContact O-N 2.84Å; R887-L892 VanDerWaalsContact CA-O 3.24Å; R887-L892 WeakPolarHBondContact CA-O 3.29Å; R887-L892 WeakPolarHBondContact CB-O 3.25Å; R887-L892 WeakPolarHBondContact CG-O 3.23Å; D890-L892 HydrophobicContact CB-CD1 4.1Å; D890-L892 HydrophobicContact CB-CG 3.81Å; D890-L892 WeakPolarHBondContact O-CD2 2.88Å; D890-L892 WeakPolarHBondContact O-CG 3.45Å; D890-L892 PolarHBondContact O-N 2.84Å; L892-P894 WeakPolarHBondContact O-CD 3.46Å; L892-N954 HydrophobicContact CB-CB 4.19Å; L892-N954 HydrophobicContact CD2-CB 4.07Å; L892-N954 VanDerWaalsContact CD2-ND2 3.34Å; L892-N954 WeakPolarHBondContact CD2-ND2 3.28Å
893	N	86.3	Confident	85.8	Confident	15 Å²	15	36.7 Å²	36.7	8%	0.08	18%	0.182	C	C	.	.			trans	-117.6	69.7	179.4	-71.8	-92.9	0	0	0	110.9	D891 N954 R955 H958	D891-N893 PolarHBondContact O-ND2 2.76Å; N893-N954 PolarHBondContact N-OD1 2.81Å; N893-R955 PolarHBondContact O-N 2.86Å; N893-H958 HydrophobicContact CB-CB 3.68Å; N893-H958 PolarHBondContact OD1-O 3.18Å
894	P	84.9	Confident	85.2	Confident	6 Å²	6	40.3 Å²	40.3	4%	0.039	20%	0.197	C	C	.	.			trans	-68.6	152.3	174.8	29.7	-34.2	0	0	0	111	G883 D886 R887 L892	G883-P894 VanDerWaalsContact O-CG 3.32Å; G883-P894 WeakPolarHBondContact O-CG 3.34Å; D886-P894 HydrophobicContact CB-CG 4.34Å; R887-P894 PolarHBondContact NH2-O 3.03Å; R887-P894 VanDerWaalsContact NH2-O 3.08Å; L892-P894 WeakPolarHBondContact O-CD 3.46Å
895	M	82.5	Confident	84.6	Confident	78 Å²	78	43.6 Å²	43.6	38%	0.384	21%	0.214	S	C	.	.			trans	-63.1	149.1	-178.4	-74.9	169.7	36.5	0	0	112.9	N897 R955	M895-N897 WeakPolarHBondContact CB-OD1 3.29Å; M895-N897 WeakPolarHBondContact CE-OD1 3.25Å; M895-N897 PolarHBondContact O-N 3.46Å; M895-R955 HydrophobicContact CG-CG 4.28Å; M895-R955 VanDerWaalsContact CG-NE 3.26Å; M895-R955 PolarHBondContact SD-NE 3.18Å; M895-R955 VanDerWaalsContact SD-NE 3.38Å; M895-R955 PolarHBondContact SD-NH2 3.31Å
896	L	84.2	Confident	83.8	Confident	40 Å²	40	44.7 Å²	44.7	21%	0.209	22%	0.22	C	C	.	.			trans	-86.8	98.7	170.3	-47.7	-171.3	0	0	0	107.7	G531 V541 M544 R887	G531-L896 WeakPolarHBondContact O-CD1 3.29Å; V541-L896 HydrophobicContact CG1-CD1 4.41Å; V541-L896 HydrophobicContact CG2-CD1 4.05Å; M544-L896 HydrophobicContact CE-CD2 4.28Å; R887-L896 VanDerWaalsContact NH2-CD2 3.32Å
897	N	81.9	Confident	83	Confident	49 Å²	49	46.4 Å²	46.4	26%	0.262	23%	0.229	S	C	.	.			trans	-91.3	-14.9	-168.2	-64.4	-29.2	0	0	0	114.2	M895 L951	M895-N897 WeakPolarHBondContact CB-OD1 3.29Å; M895-N897 WeakPolarHBondContact CE-OD1 3.25Å; M895-N897 PolarHBondContact O-N 3.46Å; N897-L951 PolarHBondContact ND2-O 3.46Å; N897-L951 VanDerWaalsContact ND2-O 3.11Å
898	F	84.7	Confident	82	Confident	29 Å²	29	48.4 Å²	48.4	13%	0.127	24%	0.238	C	C	.	.	S	Bend	trans	-134.5	150.5	-168.7	-48.9	-63.1	0	0	0	111.9	C533 I534 D876 I879 V903	C533-F898 CarbonylContact C-O 3.51Å; C533-F898 WeakPolarHBondContact CA-O 3.47Å; I534-F898 PolarHBondContact N-O 2.88Å; D876-F898 HydrophobicContact CB-CD1 4.33Å; D876-F898 HydrophobicContact CB-CE1 3.72Å; D876-F898 HydrophobicContact CB-CE2 4.13Å; D876-F898 HydrophobicContact CB-CZ 3.6Å; D876-F898 VanDerWaalsContact CG-CE1 3.44Å; D876-F898 WeakPolarHBondContact O-CE2 3.33Å; D876-F898 WeakPolarHBondContact OD1-CE1 3.23Å; D876-F898 WeakPolarHBondContact OD1-CZ 3.44Å; I879-F898 HydrophobicContact CB-CE2 4.05Å; I879-F898 HydrophobicContact CB-CZ 4.28Å; I879-F898 HydrophobicContact CG2-CE2 3.84Å; I879-F898 HydrophobicContact CG2-CZ 4.15Å; F898-V903 HydrophobicContact CB-CG2 3.7Å; F898-V903 HydrophobicContact CD2-CG2 4.32Å; F898-V903 HydrophobicContact CG-CG2 4.3Å
899	T	84.8	Confident	80.8	Confident	39 Å²	39	52.4 Å²	52.4	24%	0.239	26%	0.256	C	S	.	.			trans	-77.8	158.4	164.9	62.8	0	0	0	0	111.3	I534 D535 K901 E902 V903	I534-T899 HydrophobicContact CG2-CG2 3.49Å; I534-T899 VanDerWaalsContact CG2-CG2 3.49Å; D535-T899 HydrophobicContact CB-CG2 4.39Å; D535-T899 WeakPolarHBondContact OD1-CA 3.35Å; T899-K901 PolarHBondContact O-N 3.2Å; T899-E902 VanDerWaalsContact CB-OE2 3.3Å; T899-E902 WeakPolarHBondContact CB-OE2 3.42Å; T899-E902 WeakPolarHBondContact CG2-OE2 3.48Å; T899-E902 PolarHBondContact N-OE2 3.32Å; T899-E902 PolarHBondContact O-N 2.64Å; T899-E902 VanDerWaalsContact OG1-CD 3.22Å; T899-E902 VanDerWaalsContact OG1-CG 3.25Å; T899-E902 WeakPolarHBondContact OG1-CG 3.47Å; T899-E902 PolarHBondContact OG1-N 2.85Å; T899-E902 PolarHBondContact OG1-OE2 2.78Å; T899-V903 PolarHBondContact O-N 3.36Å
900	R	83.3	Confident	79.8	Confident	69 Å²	69	54.6 Å²	54.6	26%	0.26	27%	0.269	S	S	.	.	H	α-helix	trans	-57.2	-40.7	177.3	-173.8	171.6	175.5	-158.5	-12.1	111.9	C533 D535 E902 V903 E904	C533-R900 HydrophobicContact CB-CB 4.02Å; C533-R900 VanDerWaalsContact SG-CA 3.53Å; D535-R900 PolarHBondContact OD1-N 2.8Å; R900-E902 VanDerWaalsContact C-N 3.34Å; R900-E902 PolarHBondContact O-N 2.98Å; R900-V903 PolarHBondContact O-N 2.7Å; R900-E904 HydrophobicContact CG-CG 4.27Å; R900-E904 WeakPolarHBondContact CG-OE2 3.36Å; R900-E904 IonicContact CZ-OE1 3.36Å; R900-E904 IonicContact CZ-OE2 2.76Å; R900-E904 IonicContact NE-OE1 3.29Å; R900-E904 PolarHBondContact NE-OE1 3.03Å; R900-E904 IonicContact NE-OE2 2.64Å; R900-E904 PolarHBondContact NE-OE2 3.18Å; R900-E904 VanDerWaalsContact NE-OE2 3.07Å; R900-E904 IonicContact NH2-OE1 3.77Å; R900-E904 PolarHBondContact NH2-OE1 3.45Å; R900-E904 IonicContact NH2-OE2 3.27Å; R900-E904 PolarHBondContact NH2-OE2 2.94Å; R900-E904 WeakPolarHBondContact O-CB 3.33Å; R900-E904 WeakPolarHBondContact O-CG 3.46Å; R900-E904 PolarHBondContact O-N 2.97Å
901	K	80.7	Confident	78.6	Confident	144 Å²	144	62.6 Å²	62.6	63%	0.626	31%	0.305	S	S	*	.	H	α-helix	trans	-63.6	-36.9	175.8	-171.1	-176.5	177.2	-171.6	0	112.4	T899 V903 N905	T899-K901 PolarHBondContact O-N 3.2Å; K901-V903 VanDerWaalsContact C-N 3.3Å; K901-V903 PolarHBondContact O-N 2.71Å; K901-N905 WeakPolarHBondContact O-CB 3.34Å; K901-N905 PolarHBondContact O-N 2.93Å; K901-N905 PolarHBondContact O-OD1 2.93Å
902	E	80	Confident	77.6	Confident	89 Å²	89	69.5 Å²	69.5	42%	0.416	33%	0.333	S	S	.	.	H	α-helix	trans	-70.4	-26.3	179.5	-75.4	161.9	135.9	0	0	113.6	K873 T899 R900	K873-E902 PolarHBondContact NZ-O 2.83Å; T899-E902 VanDerWaalsContact CB-OE2 3.3Å; T899-E902 WeakPolarHBondContact CB-OE2 3.42Å; T899-E902 WeakPolarHBondContact CG2-OE2 3.48Å; T899-E902 PolarHBondContact N-OE2 3.32Å; T899-E902 PolarHBondContact O-N 2.64Å; T899-E902 VanDerWaalsContact OG1-CD 3.22Å; T899-E902 VanDerWaalsContact OG1-CG 3.25Å; T899-E902 WeakPolarHBondContact OG1-CG 3.47Å; T899-E902 PolarHBondContact OG1-N 2.85Å; T899-E902 PolarHBondContact OG1-OE2 2.78Å; R900-E902 VanDerWaalsContact C-N 3.34Å; R900-E902 PolarHBondContact O-N 2.98Å
903	V	76.1	Confident	76.9	Confident	30 Å²	30	68.4 Å²	68.4	18%	0.182	33%	0.327	C	S	.	.	H	α-helix	trans	-84.5	-44.9	174.2	-178.9	0	0	0	0	111.1	R877 F898 T899 R900 K901	R877-V903 HydrophobicContact CG-CG1 4.28Å; R877-V903 VanDerWaalsContact CZ-O 3.29Å; R877-V903 PolarHBondContact NE-O 2.67Å; R877-V903 PolarHBondContact NH2-O 2.85Å; F898-V903 HydrophobicContact CB-CG2 3.7Å; F898-V903 HydrophobicContact CD2-CG2 4.32Å; F898-V903 HydrophobicContact CG-CG2 4.3Å; T899-V903 PolarHBondContact O-N 3.36Å; R900-V903 PolarHBondContact O-N 2.7Å; K901-V903 VanDerWaalsContact C-N 3.3Å; K901-V903 PolarHBondContact O-N 2.71Å
904	E	77.2	Confident	76.4	Confident	84 Å²	84	70.8 Å²	70.8	39%	0.393	34%	0.343	S	S	.	.	H	α-helix	trans	-71.6	-37.4	-178.3	-71.6	179.5	161.3	0	0	112.1	R111 R877 R900 L906	R111-E904 IonicContact NH2-OE1 2.78Å; R877-E904 PolarHBondContact NH2-O 2.92Å; R900-E904 HydrophobicContact CG-CG 4.27Å; R900-E904 WeakPolarHBondContact CG-OE2 3.36Å; R900-E904 IonicContact CZ-OE1 3.36Å; R900-E904 IonicContact CZ-OE2 2.76Å; R900-E904 IonicContact NE-OE1 3.29Å; R900-E904 PolarHBondContact NE-OE1 3.03Å; R900-E904 IonicContact NE-OE2 2.64Å; R900-E904 PolarHBondContact NE-OE2 3.18Å; R900-E904 VanDerWaalsContact NE-OE2 3.07Å; R900-E904 IonicContact NH2-OE1 3.77Å; R900-E904 PolarHBondContact NH2-OE1 3.45Å; R900-E904 IonicContact NH2-OE2 3.27Å; R900-E904 PolarHBondContact NH2-OE2 2.94Å; R900-E904 WeakPolarHBondContact O-CB 3.33Å; R900-E904 WeakPolarHBondContact O-CG 3.46Å; R900-E904 PolarHBondContact O-N 2.97Å; E904-L906 PolarHBondContact O-N 2.77Å
905	N	78.3	Confident	75.9	Confident	76 Å²	76	74.4 Å²	74.4	41%	0.406	37%	0.373	S	S	.	.			trans	-79.4	108.7	176.7	-72.5	39.7	0	0	0	112.8	K901	K901-N905 WeakPolarHBondContact O-CB 3.34Å; K901-N905 PolarHBondContact O-N 2.93Å; K901-N905 PolarHBondContact O-OD1 2.93Å
906	L	75.3	Confident	75.6	Confident	26 Å²	26	74.2 Å²	74.2	14%	0.136	38%	0.378	C	S	.	.			trans	-71.6	-46	169.5	-74.8	178.9	0	0	0	113.5	W606 W838 L870 E904 H908	W606-L906 HydrophobicContact CH2-CB 4.29Å; W606-L906 HydrophobicContact CH2-CD1 4.41Å; W606-L906 HydrophobicContact CZ2-CB 4.31Å; W606-L906 HydrophobicContact CZ2-CD1 4.01Å; W838-L906 HydrophobicContact CH2-CD1 3.92Å; W838-L906 HydrophobicContact CH2-CD2 3.64Å; W838-L906 HydrophobicContact CH2-CG 4.44Å; W838-L906 HydrophobicContact CZ3-CD1 4.48Å; W838-L906 HydrophobicContact CZ3-CD2 3.79Å; L870-L906 HydrophobicContact CD1-CB 3.8Å; L870-L906 HydrophobicContact CD1-CD2 3.85Å; L870-L906 HydrophobicContact CD1-CG 4.32Å; L870-L906 WeakPolarHBondContact CD1-O 3.47Å; E904-L906 PolarHBondContact O-N 2.77Å; L906-H908 PolarHBondContact O-N 2.8Å
907	L	73.1	Confident	75	Confident	51 Å²	51	75.8 Å²	75.8	27%	0.267	38%	0.384	S	S	.	.			trans	-62.9	109.3	-178.4	-73.6	171.8	0	0	0	111.3	M595 W606 F909	M595-L907 HydrophobicContact CE-CD2 4.29Å; M595-L907 HydrophobicContact SD-CD2 3.64Å; W606-L907 HydrophobicContact CD2-CD1 4.3Å; W606-L907 HydrophobicContact CE3-CD1 3.77Å; W606-L907 HydrophobicContact CE3-CD2 3.9Å; W606-L907 HydrophobicContact CE3-CG 3.88Å; W606-L907 HydrophobicContact CH2-CD2 4.3Å; W606-L907 HydrophobicContact CH2-CG 4.25Å; W606-L907 HydrophobicContact CZ3-CD1 4.14Å; W606-L907 HydrophobicContact CZ3-CD2 3.49Å; W606-L907 VanDerWaalsContact CZ3-CD2 3.49Å; W606-L907 HydrophobicContact CZ3-CG 3.7Å; L907-F909 HydrophobicContact CB-CD2 4.32Å; L907-F909 HydrophobicContact CB-CE2 3.76Å; L907-F909 HydrophobicContact CB-CZ 4.35Å; L907-F909 HydrophobicContact CD1-CE2 4.05Å; L907-F909 HydrophobicContact CD1-CZ 4.2Å; L907-F909 HydrophobicContact CD2-CZ 4.32Å; L907-F909 HydrophobicContact CG-CE2 4.35Å
908	H	69.2	Low	74.2	Confident	55 Å²	55	80 Å²	80	26%	0.255	41%	0.412	S	S	.	.			trans	-102.6	88.5	172.6	-162	-4.6	0	0	0	110.6	K873 L906 V910	K873-H908 HydrophobicContact CG-CB 4.1Å; L906-H908 PolarHBondContact O-N 2.8Å; H908-V910 WeakPolarHBondContact CE1-CG2 3.3Å; H908-V910 VanDerWaalsContact ND1-CG2 3.35Å; H908-V910 WeakPolarHBondContact ND1-CG2 3.4Å
909	F	66.9	Low	73.7	Confident	86 Å²	86	83 Å²	83	38%	0.377	44%	0.436	S	S	.	.			trans	-72	135.8	162.5	-59	-76.5	0	0	0	109.2	M595 R599 L907	M595-F909 HydrophobicContact CB-CD1 4.37Å; M595-F909 HydrophobicContact CB-CE1 4Å; M595-F909 WeakPolarHBondContact O-CE1 3.27Å; R599-F909 HydrophobicContact CB-CE1 3.9Å; R599-F909 HydrophobicContact CB-CZ 3.93Å; L907-F909 HydrophobicContact CB-CD2 4.32Å; L907-F909 HydrophobicContact CB-CE2 3.76Å; L907-F909 HydrophobicContact CB-CZ 4.35Å; L907-F909 HydrophobicContact CD1-CE2 4.05Å; L907-F909 HydrophobicContact CD1-CZ 4.2Å; L907-F909 HydrophobicContact CD2-CZ 4.32Å; L907-F909 HydrophobicContact CG-CE2 4.35Å
910	V	66.9	Low	73.3	Confident	49 Å²	49	81.7 Å²	81.7	30%	0.297	43%	0.428	S	S	.	.			trans	-131.6	96	179.5	177.2	0	0	0	0	108.1	Y868 H908 K912	Y868-V910 HydrophobicContact CD1-CG1 3.76Å; Y868-V910 HydrophobicContact CD1-CG2 3.95Å; Y868-V910 HydrophobicContact CG-CG1 4.23Å; Y868-V910 HydrophobicContact CG-CG2 4.43Å; H908-V910 WeakPolarHBondContact CE1-CG2 3.3Å; H908-V910 VanDerWaalsContact ND1-CG2 3.35Å; H908-V910 WeakPolarHBondContact ND1-CG2 3.4Å; V910-K912 PolarHBondContact O-N 2.96Å
911	E	61.3	Low	72.9	Confident	207 Å²	207	82.3 Å²	82.3	97%	0.967	44%	0.437	S	S	*	.	S	Bend	trans	-62	-24.8	-177.4	-61.6	176.5	174.6	0	0	112.7
912	K	65.2	Low	72.7	Confident	184 Å²	184	77 Å²	77	80%	0.8	41%	0.414	S	S	*	.			trans	-160.9	124.5	176.3	-163.8	166.6	-174.7	172.2	0	112.7	V910	V910-K912 PolarHBondContact O-N 2.96Å
913	E	72	Confident	72.2	Confident	31 Å²	31	81.2 Å²	81.2	15%	0.145	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-77.9	144.9	167.7	-162.4	-174.8	179.5	0	0	110.8	R582 R588 Y868	R582-E913 IonicContact CZ-OE1 2.73Å; R582-E913 IonicContact CZ-OE2 3.55Å; R582-E913 VanDerWaalsContact NE-CD 3.26Å; R582-E913 IonicContact NE-OE1 3.07Å; R582-E913 PolarHBondContact NE-OE1 3.41Å; R582-E913 IonicContact NE-OE2 3.42Å; R582-E913 PolarHBondContact NE-OE2 3.3Å; R582-E913 IonicContact NH2-OE1 2.6Å; R582-E913 PolarHBondContact NH2-OE1 3.15Å; R582-E913 IonicContact NH2-OE2 2.71Å; R588-E913 IonicContact CZ-OE2 3.67Å; R588-E913 IonicContact NH1-OE2 2.74Å; R588-E913 PolarHBondContact NH1-OE2 3.25Å; R588-E913 IonicContact NH2-OE2 2.66Å; R588-E913 PolarHBondContact NH2-OE2 2.8Å; Y868-E913 HydrophobicContact CD2-CG 3.65Å; Y868-E913 HydrophobicContact CE2-CG 3.64Å; Y868-E913 HydrophobicContact CG-CG 4.26Å
914	P	75.9	Confident	72.1	Confident	65 Å²	65	82.4 Å²	82.4	42%	0.422	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-57.2	156.3	164.9	24	-35.9	0	0	0	113.2	R582 Y868	R582-P914 PolarHBondContact NH2-O 3.3Å; Y868-P914 HydrophobicContact CE2-CG 4.35Å; Y868-P914 WeakPolarHBondContact OH-CD 3.49Å; Y868-P914 VanDerWaalsContact OH-CG 3.32Å; Y868-P914 WeakPolarHBondContact OH-CG 3.4Å
915	A	75.3	Confident	72.2	Confident	81 Å²	81	79.3 Å²	79.3	67%	0.669	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-58.8	155.4	174.5	0	0	0	0	0	112.2
916	P	76.3	Confident	72.2	Confident	75 Å²	75	83.9 Å²	83.9	49%	0.487	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-58.7	143.8	176.7	-11.7	22.1	0	0	0	111.6	R582 T918 H939	R582-P916 VanDerWaalsContact NH1-CG 3.29Å; R582-P916 VanDerWaalsContact NH1-N 3.13Å; P916-T918 PolarHBondContact O-N 2.65Å; P916-H939 HydrophobicContact CB-CB 4.21Å
917	Q	70.6	Confident	72.8	Confident	72 Å²	72	83 Å²	83	34%	0.336	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-76.5	124.2	173.4	-58.2	-150.6	34.8	0	0	110.2	S919 P938 T942	Q917-S919 VanDerWaalsContact C-N 3.28Å; Q917-P938 CarbonylContact O-C 3.29Å; Q917-P938 VanDerWaalsContact O-C 3.29Å; Q917-T942 PolarHBondContact NE2-O 3.37Å
918	T	65.1	Low	73.6	Confident	139 Å²	139	83 Å²	83	85%	0.853	45%	0.452	S	S	*	.	S	Bend	trans	-75.4	-20.5	176	-25.4	0	0	0	0	112.6	P916	P916-T918 PolarHBondContact O-N 2.65Å
919	S	75.2	Confident	74.7	Confident	90 Å²	90	80.4 Å²	80.4	63%	0.629	44%	0.44	S	S	*	.			trans	-163.2	132.6	-180	58.7	0	0	0	0	110.3	Q917	Q917-S919 VanDerWaalsContact C-N 3.28Å
920	L	76	Confident	76	Confident	13 Å²	13	76.3 Å²	76.3	7%	0.068	42%	0.422	C	S	.	.			trans	-87.9	153.5	167.4	-62.9	164.1	0	0	0	109.5	I922 C934 P938 I941	L920-I922 HydrophobicContact CB-CG1 4.21Å; L920-C934 HydrophobicContact CD1-CB 3.81Å; L920-P938 HydrophobicContact CD1-CB 4.41Å; L920-P938 HydrophobicContact CG-CB 4.28Å; L920-I941 HydrophobicContact CD1-CB 4.09Å; L920-I941 HydrophobicContact CD1-CD1 4.15Å; L920-I941 HydrophobicContact CD1-CG2 3.85Å; L920-I941 HydrophobicContact CD2-CG2 4.35Å
921	D	74.8	Confident	77.2	Confident	82 Å²	82	77.7 Å²	77.7	44%	0.439	43%	0.425	S	S	.	.			trans	-80.9	123.4	162.2	-159.3	-16.9	0	0	0	108.1	K923	D921-K923 VanDerWaalsContact OD1-CG 3.26Å; D921-K923 WeakPolarHBondContact OD1-CG 3.17Å; D921-K923 PolarHBondContact OD1-N 3.37Å; D921-K923 IonicContact OD1-NZ 2.71Å; D921-K923 PolarHBondContact OD1-NZ 2.93Å; D921-K923 IonicContact OD2-NZ 3.2Å; D921-K923 PolarHBondContact OD2-NZ 2.89Å
922	I	76	Confident	78.7	Confident	31 Å²	31	71.2 Å²	71.2	16%	0.159	40%	0.397	C	S	.	.			trans	-109.7	-1.1	-168.8	-63.7	151.5	0	0	0	110.7	L920 G924 I925 Q931 C934 L935	L920-I922 HydrophobicContact CB-CG1 4.21Å; I922-G924 PolarHBondContact O-N 3.01Å; I922-G924 VanDerWaalsContact O-N 3.08Å; I922-I925 HydrophobicContact CG2-CB 4.34Å; I922-I925 HydrophobicContact CG2-CD1 4.5Å; I922-I925 PolarHBondContact O-N 3.16Å; I922-Q931 HydrophobicContact CG2-CB 4.27Å; I922-Q931 HydrophobicContact CG2-CG 3.78Å; I922-C934 HydrophobicContact CD1-CB 4.32Å; I922-C934 HydrophobicContact CG1-CB 4.07Å; I922-L935 HydrophobicContact CD1-CD2 3.56Å; I922-L935 HydrophobicContact CD1-CG 3.87Å
923	K	70	Confident	80	Confident	178 Å²	178	62.5 Å²	62.5	77%	0.774	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.2	-175.4	-66.3	176.5	-155.3	77.2	0	114.7	D921	D921-K923 VanDerWaalsContact OD1-CG 3.26Å; D921-K923 WeakPolarHBondContact OD1-CG 3.17Å; D921-K923 PolarHBondContact OD1-N 3.37Å; D921-K923 IonicContact OD1-NZ 2.71Å; D921-K923 PolarHBondContact OD1-NZ 2.93Å; D921-K923 IonicContact OD2-NZ 3.2Å; D921-K923 PolarHBondContact OD2-NZ 2.89Å
924	G	72.7	Confident	80.9	Confident	56 Å²	56	61.1 Å²	61.1	58%	0.577	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-24.5	173.5	0	0	0	0	0	114.2	I922 K926	I922-G924 PolarHBondContact O-N 3.01Å; I922-G924 VanDerWaalsContact O-N 3.08Å; G924-K926 PolarHBondContact O-N 3.33Å
925	I	79.4	Confident	81.6	Confident	19 Å²	19	63 Å²	63	10%	0.097	36%	0.359	C	S	.	.			trans	-86.9	106.6	-169.6	-55.4	175.6	0	0	0	109.7	I922 L930 Q931 C934 P945	I922-I925 HydrophobicContact CG2-CB 4.34Å; I922-I925 HydrophobicContact CG2-CD1 4.5Å; I922-I925 PolarHBondContact O-N 3.16Å; I925-L930 HydrophobicContact CD1-CG 4.42Å; I925-L930 HydrophobicContact CG2-CB 4.01Å; I925-L930 HydrophobicContact CG2-CD2 4.07Å; I925-L930 HydrophobicContact CG2-CG 3.96Å; I925-Q931 HydrophobicContact CG2-CB 4.21Å; I925-Q931 PolarHBondContact O-NE2 3.39Å; I925-C934 HydrophobicContact CD1-CB 4.44Å; I925-P945 HydrophobicContact CD1-CG 4.39Å
926	K	78.1	Confident	82.4	Confident	172 Å²	172	63.7 Å²	63.7	75%	0.748	35%	0.347	S	S	*	.			trans	-79.1	-28.5	175.9	-57.7	172.7	-165.9	153.6	0	113.2	G924	G924-K926 PolarHBondContact O-N 3.33Å
927	E	87.9	Confident	83.3	Confident	8 Å²	8	62 Å²	62	4%	0.037	33%	0.331	C	S	.	.			trans	-79.4	123.9	-171.4	-158.9	-71.3	108.1	0	0	110.6	R830 H860 Y862 V929 L930 Q931	R830-E927 IonicContact CZ-OE1 3.8Å; R830-E927 IonicContact NH1-OE1 2.71Å; R830-E927 PolarHBondContact NH1-OE1 3.41Å; R830-E927 IonicContact NH1-OE2 3.2Å; R830-E927 IonicContact NH2-OE1 2.61Å; H860-E927 HydrophobicContact CB-CG 4.3Å; H860-E927 VanDerWaalsContact ND1-CG 3.33Å; H860-E927 WeakPolarHBondContact ND1-CG 3.41Å; Y862-E927 VanDerWaalsContact OH-CD 3.27Å; Y862-E927 PolarHBondContact OH-OE2 2.78Å; E927-V929 PolarHBondContact O-N 3.01Å; E927-V929 PolarHBondContact OE1-N 2.71Å; E927-V929 WeakPolarHBondContact OE2-CB 3.29Å; E927-V929 PolarHBondContact OE2-N 3.42Å; E927-L930 HydrophobicContact CB-CB 4.43Å; E927-L930 WeakPolarHBondContact OE2-CB 3.46Å; E927-L930 PolarHBondContact OE2-N 2.83Å; E927-Q931 WeakPolarHBondContact O-CB 3.22Å; E927-Q931 PolarHBondContact O-N 3.24Å
928	S	90.2	Very high	84.2	Confident	51 Å²	51	59.4 Å²	59.4	36%	0.357	32%	0.32	S	S	.	.	H	α-helix	trans	-64.4	-40.2	-171.4	39.6	0	0	0	0	114.5	Q931 L932	S928-Q931 PolarHBondContact O-N 3.29Å; S928-L932 WeakPolarHBondContact O-CB 3.48Å; S928-L932 VanDerWaalsContact O-CG 3.27Å; S928-L932 WeakPolarHBondContact O-CG 3.41Å; S928-L932 PolarHBondContact O-N 3.11Å
929	V	93.8	Very high	85.5	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-70.7	-45.2	-176.4	171.9	0	0	0	0	110.3	L729 E732 L736 E927 L932 A933	L729-V929 HydrophobicContact CD2-CG1 3.65Å; E732-V929 HydrophobicContact CB-CB 4.4Å; E732-V929 HydrophobicContact CB-CG1 3.99Å; E732-V929 HydrophobicContact CB-CG2 3.91Å; L736-V929 HydrophobicContact CD1-CG2 3.55Å; E927-V929 PolarHBondContact O-N 3.01Å; E927-V929 PolarHBondContact OE1-N 2.71Å; E927-V929 WeakPolarHBondContact OE2-CB 3.29Å; E927-V929 PolarHBondContact OE2-N 3.42Å; V929-L932 PolarHBondContact O-N 3.11Å; V929-A933 PolarHBondContact O-N 3.23Å
930	L	92.7	Very high	86.3	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.8	-39.5	173.2	-172.5	55.9	0	0	0	112.3	N577 I579 Y862 I925 E927 A933 C934 P945	N577-L930 HydrophobicContact CB-CD2 3.76Å; I579-L930 HydrophobicContact CD1-CD1 3.52Å; I579-L930 HydrophobicContact CG1-CD1 4Å; Y862-L930 HydrophobicContact CE1-CB 4.12Å; I925-L930 HydrophobicContact CD1-CG 4.42Å; I925-L930 HydrophobicContact CG2-CB 4.01Å; I925-L930 HydrophobicContact CG2-CD2 4.07Å; I925-L930 HydrophobicContact CG2-CG 3.96Å; E927-L930 HydrophobicContact CB-CB 4.43Å; E927-L930 WeakPolarHBondContact OE2-CB 3.46Å; E927-L930 PolarHBondContact OE2-N 2.83Å; L930-A933 PolarHBondContact O-N 2.94Å; L930-C934 WeakPolarHBondContact O-CB 3.4Å; L930-C934 PolarHBondContact O-N 3.28Å; L930-C934 PolarHBondContact O-SG 3.09Å; L930-C934 VanDerWaalsContact O-SG 3.32Å; L930-P945 HydrophobicContact CD1-CB 4.38Å; L930-P945 HydrophobicContact CD1-CG 4.17Å; L930-P945 HydrophobicContact CD2-CB 4.16Å
931	Q	92.1	Very high	87.1	Confident	77 Å²	77	53.6 Å²	53.6	36%	0.36	27%	0.274	S	S	.	.	H	α-helix	trans	-59.1	-45.7	173.1	170.1	166.2	112.5	0	0	111.6	I922 I925 E927 S928 C934 L935	I922-Q931 HydrophobicContact CG2-CB 4.27Å; I922-Q931 HydrophobicContact CG2-CG 3.78Å; I925-Q931 HydrophobicContact CG2-CB 4.21Å; I925-Q931 PolarHBondContact O-NE2 3.39Å; E927-Q931 WeakPolarHBondContact O-CB 3.22Å; E927-Q931 PolarHBondContact O-N 3.24Å; S928-Q931 PolarHBondContact O-N 3.29Å; Q931-C934 PolarHBondContact O-N 2.89Å; Q931-L935 HydrophobicContact CG-CD1 4.1Å; Q931-L935 VanDerWaalsContact O-CG 3.29Å; Q931-L935 WeakPolarHBondContact O-CG 3.4Å; Q931-L935 PolarHBondContact O-N 3.4Å
932	L	92.8	Very high	87.9	Confident	72 Å²	72	50.1 Å²	50.1	38%	0.377	26%	0.255	S	S	.	.	H	α-helix	trans	-64.7	-39.9	175.4	-71.3	168.7	0	0	0	112	E732 S928 V929 L935 K936	E732-L932 HydrophobicContact CG-CD1 4.18Å; S928-L932 WeakPolarHBondContact O-CB 3.48Å; S928-L932 VanDerWaalsContact O-CG 3.27Å; S928-L932 WeakPolarHBondContact O-CG 3.41Å; S928-L932 PolarHBondContact O-N 3.11Å; V929-L932 PolarHBondContact O-N 3.11Å; L932-L935 PolarHBondContact O-N 2.79Å; L932-K936 VanDerWaalsContact O-CB 3.28Å; L932-K936 WeakPolarHBondContact O-CB 3.47Å; L932-K936 PolarHBondContact O-N 3.37Å
933	A	92.9	Very high	88.4	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.008	27%	0.265	C	S	.	.	H	α-helix	trans	-60.3	-47.1	175.4	0	0	0	0	0	111.9	H728 L729 V929 L930 L935 K936 Y937	H728-A933 PolarHBondContact NE2-N 3.17Å; L729-A933 HydrophobicContact CD2-CB 4.5Å; V929-A933 PolarHBondContact O-N 3.23Å; L930-A933 PolarHBondContact O-N 2.94Å; A933-L935 VanDerWaalsContact C-N 3.32Å; A933-L935 PolarHBondContact O-N 2.95Å; A933-K936 PolarHBondContact O-N 2.96Å; A933-Y937 PolarHBondContact O-N 3.41Å
934	C	91.5	Very high	89.3	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.007	25%	0.249	C	C	.	.	H	α-helix	trans	-65.3	-31	177.1	-70.9	0	0	0	0	113.7	L920 I922 I925 L930 Q931 P938	L920-C934 HydrophobicContact CD1-CB 3.81Å; I922-C934 HydrophobicContact CD1-CB 4.32Å; I922-C934 HydrophobicContact CG1-CB 4.07Å; I925-C934 HydrophobicContact CD1-CB 4.44Å; L930-C934 WeakPolarHBondContact O-CB 3.4Å; L930-C934 PolarHBondContact O-N 3.28Å; L930-C934 PolarHBondContact O-SG 3.09Å; L930-C934 VanDerWaalsContact O-SG 3.32Å; Q931-C934 PolarHBondContact O-N 2.89Å; C934-P938 WeakPolarHBondContact O-CD 3.22Å
935	L	91.2	Very high	90.2	Very high	106 Å²	106	46.4 Å²	46.4	56%	0.555	23%	0.225	S	C	*	.	H	α-helix	trans	-74	-40	174.2	-74.7	166.9	0	0	0	112.5	I922 Q931 L932 A933	I922-L935 HydrophobicContact CD1-CD2 3.56Å; I922-L935 HydrophobicContact CD1-CG 3.87Å; Q931-L935 HydrophobicContact CG-CD1 4.1Å; Q931-L935 VanDerWaalsContact O-CG 3.29Å; Q931-L935 WeakPolarHBondContact O-CG 3.4Å; Q931-L935 PolarHBondContact O-N 3.4Å; L932-L935 PolarHBondContact O-N 2.79Å; A933-L935 VanDerWaalsContact C-N 3.32Å; A933-L935 PolarHBondContact O-N 2.95Å
936	K	92	Very high	90.8	Very high	95 Å²	95	48.1 Å²	48.1	41%	0.413	23%	0.232	S	C	.	.	H	α-helix	trans	-83.3	-34.9	-174.2	-169.1	178	171.3	-166.7	0	112.8	H728 L932 A933 P938	H728-K936 WeakPolarHBondContact ND1-CD 3.03Å; H728-K936 PolarHBondContact ND1-NZ 3.43Å; L932-K936 VanDerWaalsContact O-CB 3.28Å; L932-K936 WeakPolarHBondContact O-CB 3.47Å; L932-K936 PolarHBondContact O-N 3.37Å; A933-K936 PolarHBondContact O-N 2.96Å; K936-P938 VanDerWaalsContact C-CD 3.43Å
937	Y	93.6	Very high	91.4	Very high	38 Å²	38	44.7 Å²	44.7	15%	0.149	22%	0.218	C	C	.	.			trans	-127.5	43.3	-173.5	-55.9	-71.4	0	0	0	115.5	V724 L725 H728 A933 H939 L940	V724-Y937 HydrophobicContact CG1-CD1 3.93Å; V724-Y937 HydrophobicContact CG1-CE1 3.4Å; V724-Y937 HydrophobicContact CG1-CE2 4.18Å; L725-Y937 HydrophobicContact CD2-CD2 4.04Å; L725-Y937 HydrophobicContact CD2-CG 4.3Å; H728-Y937 HydrophobicContact CB-CE2 3.67Å; H728-Y937 AromaticContact CG-CE2 3.62Å; H728-Y937 AromaticContact ND1-CE2 3.92Å; A933-Y937 PolarHBondContact O-N 3.41Å; Y937-H939 AromaticContact CD1-CE1 4Å; Y937-H939 PolarHBondContact O-N 2.71Å; Y937-H939 VanDerWaalsContact O-N 3.08Å; Y937-L940 HydrophobicContact CD1-CD1 3.67Å; Y937-L940 HydrophobicContact CD1-CG 4.35Å; Y937-L940 HydrophobicContact CE1-CD1 4.44Å; Y937-L940 HydrophobicContact CG-CD1 3.99Å; Y937-L940 PolarHBondContact O-N 3.03Å
938	P	91.1	Very high	91.5	Very high	19 Å²	19	45.3 Å²	45.3	12%	0.123	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.3	179.1	28.4	-36.1	0	0	0	112.9	Q917 L920 C934 K936	Q917-P938 CarbonylContact O-C 3.29Å; Q917-P938 VanDerWaalsContact O-C 3.29Å; L920-P938 HydrophobicContact CD1-CB 4.41Å; L920-P938 HydrophobicContact CG-CB 4.28Å; C934-P938 WeakPolarHBondContact O-CD 3.22Å; K936-P938 VanDerWaalsContact C-CD 3.43Å
939	H	90.9	Very high	91.3	Very high	96 Å²	96	46.2 Å²	46.2	44%	0.444	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-16.5	177.1	61.5	-86.1	0	0	0	114.1	P916 Y937	P916-H939 HydrophobicContact CB-CB 4.21Å; Y937-H939 AromaticContact CD1-CE1 4Å; Y937-H939 PolarHBondContact O-N 2.71Å; Y937-H939 VanDerWaalsContact O-N 3.08Å
940	L	93.2	Very high	90.9	Very high	21 Å²	21	48.2 Å²	48.2	11%	0.11	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-10.2	176.5	-56.4	-174	0	0	0	112.9	R582 P721 V724 Y937	R582-L940 WeakPolarHBondContact CB-O 3.43Å; R582-L940 PolarHBondContact N-O 3.03Å; P721-L940 HydrophobicContact CB-CB 4.2Å; P721-L940 HydrophobicContact CB-CD1 4.06Å; P721-L940 HydrophobicContact CB-CD2 3.96Å; P721-L940 HydrophobicContact CB-CG 4.29Å; P721-L940 HydrophobicContact CG-CD2 3.94Å; V724-L940 HydrophobicContact CB-CD1 4.05Å; V724-L940 HydrophobicContact CG1-CD1 3.73Å; Y937-L940 HydrophobicContact CD1-CD1 3.67Å; Y937-L940 HydrophobicContact CD1-CG 4.35Å; Y937-L940 HydrophobicContact CE1-CD1 4.44Å; Y937-L940 HydrophobicContact CG-CD1 3.99Å; Y937-L940 PolarHBondContact O-N 3.03Å
941	I	92.8	Very high	90.3	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-110.9	119.6	-173.2	-64.4	171.6	0	0	0	108.7	I579 L580 L725 L920 K943	I579-I941 HydrophobicContact CG2-CD1 4.21Å; I579-I941 HydrophobicContact CG2-CG1 4.02Å; L580-I941 WeakPolarHBondContact O-CA 3.25Å; L725-I941 HydrophobicContact CD1-CG1 4.33Å; L725-I941 HydrophobicContact CD2-CD1 4.34Å; L725-I941 HydrophobicContact CD2-CG1 4.48Å; L920-I941 HydrophobicContact CD1-CB 4.09Å; L920-I941 HydrophobicContact CD1-CD1 4.15Å; L920-I941 HydrophobicContact CD1-CG2 3.85Å; L920-I941 HydrophobicContact CD2-CG2 4.35Å; I941-K943 WeakPolarHBondContact CG2-O 3.37Å
942	T	90	Very high	89.8	Confident	9 Å²	9	47.7 Å²	47.7	6%	0.055	23%	0.233	C	C	.	.	S	Bend	trans	-81.6	-26.4	-171.1	64.7	0	0	0	0	113.6	L580 R582 D867 Y868 Q917	L580-T942 VanDerWaalsContact CB-OG1 3.26Å; L580-T942 WeakPolarHBondContact CB-OG1 3.46Å; L580-T942 PolarHBondContact O-N 2.64Å; L580-T942 PolarHBondContact O-OG1 3.04Å; R582-T942 HydrophobicContact CB-CG2 3.93Å; D867-T942 HydrophobicContact CB-CG2 3.9Å; D867-T942 WeakPolarHBondContact OD2-CB 3.46Å; D867-T942 PolarHBondContact OD2-OG1 3.24Å; Y868-T942 HydrophobicContact CD2-CG2 4.39Å; Y868-T942 HydrophobicContact CE2-CG2 4.05Å; Q917-T942 PolarHBondContact NE2-O 3.37Å
943	K	88.4	Confident	89.3	Confident	82 Å²	82	49.3 Å²	49.3	36%	0.357	24%	0.242	S	C	.	.	S	Bend	trans	-145.6	154.7	-179.9	-51.5	-169.4	-169.9	74.9	0	110	L580 D867 I941	L580-K943 HydrophobicContact CD1-CB 4.27Å; L580-K943 HydrophobicContact CD1-CD 3.81Å; L580-K943 HydrophobicContact CD1-CG 4.07Å; D867-K943 VanDerWaalsContact CG-NZ 3.31Å; D867-K943 IonicContact OD1-NZ 3.05Å; D867-K943 PolarHBondContact OD1-NZ 3.2Å; D867-K943 IonicContact OD2-NZ 2.65Å; D867-K943 PolarHBondContact OD2-NZ 3.37Å; I941-K943 WeakPolarHBondContact CG2-O 3.37Å
944	E	88.2	Confident	88.8	Confident	95 Å²	95	52.7 Å²	52.7	44%	0.444	26%	0.259	S	S	.	.			trans	-51.2	128.5	172.4	-171.7	-179.2	166.8	0	0	110.3
945	P	91.8	Very high	88.5	Confident	11 Å²	11	57.2 Å²	57.2	7%	0.071	28%	0.276	C	S	.	.			trans	-57.4	140.2	176.8	-27.4	35.7	0	0	0	112	V578 I925 L930	V578-P945 VanDerWaalsContact O-CA 3.3Å; V578-P945 WeakPolarHBondContact O-CA 3.29Å; I925-P945 HydrophobicContact CD1-CG 4.39Å; L930-P945 HydrophobicContact CD1-CB 4.38Å; L930-P945 HydrophobicContact CD1-CG 4.17Å; L930-P945 HydrophobicContact CD2-CB 4.16Å
946	F	91.5	Very high	88.1	Confident	54 Å²	54	61 Å²	61	24%	0.237	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	151.1	-174.4	61.7	-90	0	0	0	111.5	V578 L580 Y875 H948 L951	V578-F946 HydrophobicContact CB-CD1 4.43Å; V578-F946 HydrophobicContact CB-CD2 4.22Å; V578-F946 HydrophobicContact CB-CE1 4Å; V578-F946 HydrophobicContact CB-CE2 3.74Å; V578-F946 HydrophobicContact CB-CZ 3.63Å; V578-F946 HydrophobicContact CG1-CE1 4.06Å; V578-F946 HydrophobicContact CG1-CE2 4.19Å; V578-F946 HydrophobicContact CG1-CZ 3.64Å; V578-F946 HydrophobicContact CG2-CD2 4.28Å; V578-F946 HydrophobicContact CG2-CE2 3.76Å; V578-F946 HydrophobicContact CG2-CZ 4.09Å; V578-F946 PolarHBondContact N-O 2.84Å; V578-F946 PolarHBondContact O-N 2.79Å; L580-F946 HydrophobicContact CD1-CE1 4.12Å; L580-F946 HydrophobicContact CG-CE1 4.08Å; Y875-F946 HydrophobicContact CE1-CZ 4.48Å; F946-H948 PolarHBondContact O-N 3.15Å; F946-L951 HydrophobicContact CD2-CG 4.45Å; F946-L951 HydrophobicContact CE2-CD1 3.75Å; F946-L951 HydrophobicContact CE2-CD2 4.46Å; F946-L951 HydrophobicContact CE2-CG 4.06Å; F946-L951 HydrophobicContact CZ-CD1 4.45Å
947	E	90.8	Very high	87.5	Confident	100 Å²	100	61.7 Å²	61.7	47%	0.467	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	132.1	178	-64.7	176.3	173.3	0	0	111	E576 E949 S950	E576-E947 CarbonylContact O-C 3.58Å; E576-E947 VanDerWaalsContact O-CA 3.26Å; E576-E947 WeakPolarHBondContact O-CA 3.45Å; E947-E949 VanDerWaalsContact C-N 3.32Å; E947-E949 PolarHBondContact O-N 3.06Å; E947-S950 VanDerWaalsContact O-CB 3.23Å; E947-S950 WeakPolarHBondContact O-CB 3.35Å; E947-S950 PolarHBondContact O-N 3.24Å; E947-S950 PolarHBondContact O-OG 3.33Å
948	H	90.4	Very high	86.9	Confident	22 Å²	22	62.3 Å²	62.3	10%	0.102	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-58.3	-43.3	175.4	179.9	71.4	0	0	0	111.6	E576 V578 Y875 I879 F946 S950 L951	E576-H948 HydrophobicContact CB-CB 4.37Å; E576-H948 HydrophobicContact CG-CB 3.77Å; E576-H948 PolarHBondContact O-N 2.86Å; E576-H948 IonicContact OE1-CD2 3.05Å; E576-H948 PolarHBondContact OE1-CD2 3.14Å; E576-H948 IonicContact OE1-CG 3.63Å; V578-H948 HydrophobicContact CG2-CB 3.99Å; Y875-H948 AromaticContact CE2-ND1 3.77Å; Y875-H948 AromaticContact CZ-ND1 3.79Å; Y875-H948 PolarHBondContact OH-ND1 3.34Å; I879-H948 VanDerWaalsContact CD1-CE1 3.44Å; I879-H948 WeakPolarHBondContact CD1-CE1 3.25Å; F946-H948 PolarHBondContact O-N 3.15Å; H948-S950 PolarHBondContact O-N 3.26Å; H948-S950 VanDerWaalsContact O-N 3.15Å; H948-L951 PolarHBondContact O-N 3.4Å
949	E	84.9	Confident	86.6	Confident	70 Å²	70	65.8 Å²	65.8	33%	0.327	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-61.8	-20.6	175.8	-66.5	-172.5	-159	0	0	112.6	K568 K574 E947 L951 L952 L953	K568-E949 IonicContact NZ-OE1 3.53Å; K568-E949 IonicContact NZ-OE2 2.74Å; K568-E949 PolarHBondContact NZ-OE2 2.87Å; K574-E949 WeakPolarHBondContact CE-OE1 3.45Å; K574-E949 IonicContact NZ-OE1 3.13Å; K574-E949 PolarHBondContact NZ-OE1 2.99Å; E947-E949 VanDerWaalsContact C-N 3.32Å; E947-E949 PolarHBondContact O-N 3.06Å; E949-L951 VanDerWaalsContact C-N 3.29Å; E949-L951 PolarHBondContact O-N 2.82Å; E949-L952 PolarHBondContact O-N 2.9Å; E949-L952 VanDerWaalsContact O-N 3.14Å; E949-L953 PolarHBondContact O-N 3.37Å
950	S	85.4	Confident	86.3	Confident	42 Å²	42	61.9 Å²	61.9	29%	0.294	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-66	-27.3	179.5	75.8	0	0	0	0	113.8	E947 H948 L952	E947-S950 VanDerWaalsContact O-CB 3.23Å; E947-S950 WeakPolarHBondContact O-CB 3.35Å; E947-S950 PolarHBondContact O-N 3.24Å; E947-S950 PolarHBondContact O-OG 3.33Å; H948-S950 PolarHBondContact O-N 3.26Å; H948-S950 VanDerWaalsContact O-N 3.15Å; S950-L952 VanDerWaalsContact C-N 3.3Å
951	L	80.7	Confident	86.2	Confident	44 Å²	44	64.5 Å²	64.5	23%	0.23	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-77.7	-16.6	177	-63	-176	0	0	0	113.2	Y875 I879 N897 F946 H948 E949	Y875-L951 HydrophobicContact CE1-CD1 4.08Å; I879-L951 HydrophobicContact CD1-CB 4.26Å; I879-L951 HydrophobicContact CD1-CD1 3.95Å; I879-L951 HydrophobicContact CG1-CD1 3.89Å; I879-L951 HydrophobicContact CG2-CB 4.16Å; I879-L951 HydrophobicContact CG2-CD1 4.29Å; N897-L951 PolarHBondContact ND2-O 3.46Å; N897-L951 VanDerWaalsContact ND2-O 3.11Å; F946-L951 HydrophobicContact CD2-CG 4.45Å; F946-L951 HydrophobicContact CE2-CD1 3.75Å; F946-L951 HydrophobicContact CE2-CD2 4.46Å; F946-L951 HydrophobicContact CE2-CG 4.06Å; F946-L951 HydrophobicContact CZ-CD1 4.45Å; H948-L951 PolarHBondContact O-N 3.4Å; E949-L951 VanDerWaalsContact C-N 3.29Å; E949-L951 PolarHBondContact O-N 2.82Å
952	L	82.7	Confident	86	Confident	21 Å²	21	71 Å²	71	11%	0.11	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-112.1	7.2	-173.1	-59.8	172.4	0	0	0	112.7	I879 Q882 E949 S950 N954	I879-L952 HydrophobicContact CG2-CD2 4.29Å; Q882-L952 HydrophobicContact CB-CD1 4.29Å; Q882-L952 HydrophobicContact CB-CD2 4.3Å; Q882-L952 HydrophobicContact CG-CD1 3.61Å; Q882-L952 HydrophobicContact CG-CD2 4.29Å; E949-L952 PolarHBondContact O-N 2.9Å; E949-L952 VanDerWaalsContact O-N 3.14Å; S950-L952 VanDerWaalsContact C-N 3.3Å; L952-N954 PolarHBondContact O-N 3.28Å
953	L	80.4	Confident	86.1	Confident	107 Å²	107	74.1 Å²	74.1	56%	0.56	37%	0.368	S	S	*	.			trans	-55.6	123.2	-177.7	-70.8	171.6	0	0	0	112.6	E949 R955	E949-L953 PolarHBondContact O-N 3.37Å; L953-R955 PolarHBondContact O-N 3.22Å
954	N	84.2	Confident	86.2	Confident	71 Å²	71	73.2 Å²	73.2	38%	0.38	37%	0.365	S	S	.	.			trans	-66.4	112.4	177.3	-177.9	14.3	0	0	0	111.3	L892 N893 L952 K956	L892-N954 HydrophobicContact CB-CB 4.19Å; L892-N954 HydrophobicContact CD2-CB 4.07Å; L892-N954 VanDerWaalsContact CD2-ND2 3.34Å; L892-N954 WeakPolarHBondContact CD2-ND2 3.28Å; N893-N954 PolarHBondContact N-OD1 2.81Å; L952-N954 PolarHBondContact O-N 3.28Å; N954-K956 PolarHBondContact O-N 3.02Å
955	R	84.4	Confident	86.3	Confident	97 Å²	97	71.2 Å²	71.2	37%	0.366	36%	0.355	S	S	.	.			trans	-78.3	104.3	173.5	-77.9	-159.6	179.4	-160	6	111.4	N893 M895 L953 D957 H958	N893-R955 PolarHBondContact O-N 2.86Å; M895-R955 HydrophobicContact CG-CG 4.28Å; M895-R955 VanDerWaalsContact CG-NE 3.26Å; M895-R955 PolarHBondContact SD-NE 3.18Å; M895-R955 VanDerWaalsContact SD-NE 3.38Å; M895-R955 PolarHBondContact SD-NH2 3.31Å; L953-R955 PolarHBondContact O-N 3.22Å; R955-D957 VanDerWaalsContact CB-OD1 3.29Å; R955-D957 WeakPolarHBondContact CB-OD1 3.46Å; R955-D957 IonicContact NH1-OD2 2.7Å; R955-D957 PolarHBondContact O-N 2.98Å; R955-H958 HydrophobicContact CB-CB 4.03Å; R955-H958 WeakPolarHBondContact O-CA 3.21Å; R955-H958 WeakPolarHBondContact O-CB 3.2Å; R955-H958 PolarHBondContact O-N 2.74Å
956	K	82.2	Confident	86.3	Confident	184 Å²	184	78.6 Å²	78.6	80%	0.8	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-57.5	-34	174.4	-69.5	-166.7	175.8	-167.6	0	112.3	N954 H958 K959	N954-K956 PolarHBondContact O-N 3.02Å; K956-H958 PolarHBondContact O-N 2.76Å; K956-K959 WeakPolarHBondContact O-CB 3.13Å; K956-K959 PolarHBondContact O-N 3.26Å; K956-K959 VanDerWaalsContact O-N 3.15Å
957	D	80.6	Confident	86.4	Confident	111 Å²	111	77.9 Å²	77.9	59%	0.594	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-65.2	0.6	172	61.1	-66.3	0	0	0	114.3	R955	R955-D957 VanDerWaalsContact CB-OD1 3.29Å; R955-D957 WeakPolarHBondContact CB-OD1 3.46Å; R955-D957 IonicContact NH1-OD2 2.7Å; R955-D957 PolarHBondContact O-N 2.98Å
958	H	80.5	Confident	86.4	Confident	50 Å²	50	73.2 Å²	73.2	23%	0.231	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-120.6	-6.4	175.8	-68.3	-2.2	0	0	0	113.9	R545 N893 R955 K956 L960	R545-H958 VanDerWaalsContact NH1-CB 3.34Å; R545-H958 PolarHBondContact NH1-O 3.26Å; R545-H958 PolarHBondContact NH2-CD2 3.02Å; N893-H958 HydrophobicContact CB-CB 3.68Å; N893-H958 PolarHBondContact OD1-O 3.18Å; R955-H958 HydrophobicContact CB-CB 4.03Å; R955-H958 WeakPolarHBondContact O-CA 3.21Å; R955-H958 WeakPolarHBondContact O-CB 3.2Å; R955-H958 PolarHBondContact O-N 2.74Å; K956-H958 PolarHBondContact O-N 2.76Å; H958-L960 PolarHBondContact O-N 2.8Å
959	K	83.6	Confident	86.4	Confident	92 Å²	92	78.2 Å²	78.2	40%	0.4	39%	0.39	S	S	.	.	S	Bend	trans	-58.6	128.5	170.2	-172.1	-178.8	-178.1	-175.3	0	108.1	E228 K956 T961	E228-K959 IonicContact OE1-NZ 2.93Å; E228-K959 PolarHBondContact OE1-NZ 3.18Å; K956-K959 WeakPolarHBondContact O-CB 3.13Å; K956-K959 PolarHBondContact O-N 3.26Å; K956-K959 VanDerWaalsContact O-N 3.15Å; K959-T961 PolarHBondContact O-N 3.06Å
960	L	86.5	Confident	86.6	Confident	14 Å²	14	80.2 Å²	80.2	7%	0.073	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-62.8	128.5	177.6	-66.2	179.4	0	0	0	109.9	R545 Y546 H549 H958 E964 K965	R545-L960 HydrophobicContact CB-CD1 4.48Å; R545-L960 HydrophobicContact CB-CD2 4.07Å; R545-L960 HydrophobicContact CB-CG 4.48Å; Y546-L960 HydrophobicContact CD1-CD1 4.05Å; Y546-L960 HydrophobicContact CD1-CD2 4.06Å; Y546-L960 HydrophobicContact CE1-CD2 3.99Å; H549-L960 HydrophobicContact CB-CD1 3.73Å; H958-L960 PolarHBondContact O-N 2.8Å; L960-E964 HydrophobicContact CB-CB 4.09Å; L960-E964 HydrophobicContact CD2-CB 4.11Å; L960-K965 HydrophobicContact CB-CG 3.74Å
961	T	90.2	Very high	86.7	Confident	76 Å²	76	80 Å²	80	47%	0.466	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-61	159.6	173.7	57.8	0	0	0	0	111.4	K959 A963 E964 K965	K959-T961 PolarHBondContact O-N 3.06Å; T961-A963 PolarHBondContact O-N 3.48Å; T961-A963 VanDerWaalsContact O-N 3.17Å; T961-E964 WeakPolarHBondContact CB-OE2 3.43Å; T961-E964 WeakPolarHBondContact CG2-OE2 3.19Å; T961-E964 PolarHBondContact N-OE2 3.22Å; T961-E964 CarbonylContact O-C 3.6Å; T961-E964 WeakPolarHBondContact O-CA 3.16Å; T961-E964 PolarHBondContact O-N 3.4Å; T961-E964 WeakPolarHBondContact OG1-CB 3.45Å; T961-E964 VanDerWaalsContact OG1-CG 3.25Å; T961-E964 WeakPolarHBondContact OG1-CG 3.3Å; T961-E964 PolarHBondContact OG1-N 3.27Å; T961-E964 PolarHBondContact OG1-OE2 2.97Å; T961-K965 PolarHBondContact O-N 2.84Å
962	K	88.7	Confident	87	Confident	140 Å²	140	78.8 Å²	78.8	61%	0.609	39%	0.388	S	S	*	.	H	α-helix	trans	-52.7	-37.9	175.5	-172	179	-176.4	178.5	0	112.6	E227 K966	E227-K962 WeakPolarHBondContact OE1-CE 3.44Å; E227-K962 IonicContact OE1-NZ 2.71Å; E227-K962 PolarHBondContact OE1-NZ 3.16Å; E227-K962 WeakPolarHBondContact OE2-CE 3.43Å; E227-K962 IonicContact OE2-NZ 2.8Å; E227-K962 PolarHBondContact OE2-NZ 3.45Å; K962-K966 WeakPolarHBondContact O-CB 3.37Å; K962-K966 PolarHBondContact O-N 2.65Å; K962-K966 VanDerWaalsContact O-N 3.1Å
963	A	91	Very high	87	Confident	73 Å²	73	80.5 Å²	80.5	60%	0.603	40%	0.395	S	S	*	.	H	α-helix	trans	-65.8	-45.4	173.7	0	0	0	0	0	112.4	T961 K966 A967	T961-A963 PolarHBondContact O-N 3.48Å; T961-A963 VanDerWaalsContact O-N 3.17Å; A963-K966 PolarHBondContact O-N 3.48Å; A963-A967 WeakPolarHBondContact O-CB 3.44Å; A963-A967 PolarHBondContact O-N 3.05Å
964	E	91.5	Very high	86.9	Confident	63 Å²	63	79 Å²	79	29%	0.294	39%	0.386	S	S	.	.	H	α-helix	trans	-69.4	-35	176.1	-71.9	169.1	114.4	0	0	113.4	Y546 L960 T961 A967 A968	Y546-E964 HydrophobicContact CE1-CB 4.26Å; L960-E964 HydrophobicContact CB-CB 4.09Å; L960-E964 HydrophobicContact CD2-CB 4.11Å; T961-E964 WeakPolarHBondContact CB-OE2 3.43Å; T961-E964 WeakPolarHBondContact CG2-OE2 3.19Å; T961-E964 PolarHBondContact N-OE2 3.22Å; T961-E964 CarbonylContact O-C 3.6Å; T961-E964 WeakPolarHBondContact O-CA 3.16Å; T961-E964 PolarHBondContact O-N 3.4Å; T961-E964 WeakPolarHBondContact OG1-CB 3.45Å; T961-E964 VanDerWaalsContact OG1-CG 3.25Å; T961-E964 WeakPolarHBondContact OG1-CG 3.3Å; T961-E964 PolarHBondContact OG1-N 3.27Å; T961-E964 PolarHBondContact OG1-OE2 2.97Å; E964-A967 CarbonylContact O-C 3.56Å; E964-A967 PolarHBondContact O-N 2.79Å; E964-A968 VanDerWaalsContact O-CB 3.28Å; E964-A968 WeakPolarHBondContact O-CB 3.49Å; E964-A968 PolarHBondContact O-N 3.19Å
965	K	91.3	Very high	86.6	Confident	53 Å²	53	78.1 Å²	78.1	23%	0.23	38%	0.381	C	S	.	.	H	α-helix	trans	-61.1	-45.5	172.6	-70.9	-167	165.6	-161.5	0	110.2	H549 D891 L960 T961 A968 K969	H549-K965 VanDerWaalsContact CE1-CD 3.49Å; H549-K965 WeakPolarHBondContact CE1-CD 3.42Å; H549-K965 VanDerWaalsContact CE1-CE 3.47Å; H549-K965 WeakPolarHBondContact CE1-CE 3.4Å; H549-K965 WeakPolarHBondContact NE2-CD 3.5Å; H549-K965 WeakPolarHBondContact NE2-CG 3.13Å; D891-K965 IonicContact OD2-NZ 3.54Å; D891-K965 PolarHBondContact OD2-NZ 3.38Å; L960-K965 HydrophobicContact CB-CG 3.74Å; T961-K965 PolarHBondContact O-N 2.84Å; K965-A968 PolarHBondContact O-N 3.41Å; K965-K969 PolarHBondContact O-N 3.07Å; K965-K969 VanDerWaalsContact O-N 3.08Å
966	K	91.4	Very high	86	Confident	166 Å²	166	74.9 Å²	74.9	72%	0.722	37%	0.37	S	S	*	.	H	α-helix	trans	-62.3	-41.1	172.2	-170.9	176.8	-178.3	179.7	0	112.1	K962 A963 K970	K962-K966 WeakPolarHBondContact O-CB 3.37Å; K962-K966 PolarHBondContact O-N 2.65Å; K962-K966 VanDerWaalsContact O-N 3.1Å; A963-K966 PolarHBondContact O-N 3.48Å; K966-K970 VanDerWaalsContact O-CB 3.25Å; K966-K970 WeakPolarHBondContact O-CB 3.21Å; K966-K970 PolarHBondContact O-N 3.04Å
967	A	92.2	Very high	85.4	Confident	39 Å²	39	73.5 Å²	73.5	32%	0.322	36%	0.359	S	S	.	.	H	α-helix	trans	-68.9	-33.6	177.1	0	0	0	0	0	113.1	A963 E964 S971	A963-A967 WeakPolarHBondContact O-CB 3.44Å; A963-A967 PolarHBondContact O-N 3.05Å; E964-A967 CarbonylContact O-C 3.56Å; E964-A967 PolarHBondContact O-N 2.79Å; A967-S971 WeakPolarHBondContact O-CB 3.06Å; A967-S971 PolarHBondContact O-N 3.12Å
968	A	91.6	Very high	84.1	Confident	2 Å²	2	72.2 Å²	72.2	2%	0.017	36%	0.355	C	S	.	.	H	α-helix	trans	-67.6	-46.7	175.6	0	0	0	0	0	111.1	Y546 V550 E964 K965 S971 Y972	Y546-A968 HydrophobicContact CD1-CB 3.9Å; Y546-A968 HydrophobicContact CD2-CB 3.81Å; Y546-A968 HydrophobicContact CE1-CB 4.45Å; Y546-A968 HydrophobicContact CE2-CB 4.37Å; Y546-A968 HydrophobicContact CG-CB 3.53Å; V550-A968 HydrophobicContact CG2-CB 4.19Å; E964-A968 VanDerWaalsContact O-CB 3.28Å; E964-A968 WeakPolarHBondContact O-CB 3.49Å; E964-A968 PolarHBondContact O-N 3.19Å; K965-A968 PolarHBondContact O-N 3.41Å; A968-S971 PolarHBondContact O-N 3.35Å; A968-Y972 WeakPolarHBondContact O-CB 3.33Å; A968-Y972 PolarHBondContact O-N 3.11Å
969	K	90.1	Very high	82.6	Confident	127 Å²	127	71.6 Å²	71.6	55%	0.552	36%	0.357	S	S	*	.	H	α-helix	trans	-62.3	-46.3	172.8	-178.5	170.7	177.3	173.7	0	111.7	K965 S971 Y972 E973	K965-K969 PolarHBondContact O-N 3.07Å; K965-K969 VanDerWaalsContact O-N 3.08Å; K969-S971 PolarHBondContact O-N 3.33Å; K969-Y972 PolarHBondContact O-N 3.15Å; K969-E973 WeakPolarHBondContact CE-OE1 3.31Å; K969-E973 PolarHBondContact O-N 3.41Å
970	K	89.1	Confident	80.3	Confident	113 Å²	113	71.8 Å²	71.8	49%	0.491	37%	0.366	S	S	.	.	H	α-helix	trans	-60.3	-45.4	176.4	-174.9	175.2	177	-73.7	0	111.6	K966 Y972 E973 E974	K966-K970 VanDerWaalsContact O-CB 3.25Å; K966-K970 WeakPolarHBondContact O-CB 3.21Å; K966-K970 PolarHBondContact O-N 3.04Å; K970-Y972 VanDerWaalsContact C-N 3.32Å; K970-Y972 PolarHBondContact O-N 3.49Å; K970-E973 PolarHBondContact O-N 2.78Å; K970-E974 WeakPolarHBondContact CE-OE1 3.24Å; K970-E974 HydrophobicContact CG-CG 4.36Å; K970-E974 IonicContact NZ-OE1 2.67Å; K970-E974 PolarHBondContact NZ-OE1 3.36Å; K970-E974 IonicContact NZ-OE2 2.7Å; K970-E974 PolarHBondContact NZ-OE2 3.44Å; K970-E974 VanDerWaalsContact O-CB 3.31Å; K970-E974 WeakPolarHBondContact O-CB 3.29Å; K970-E974 VanDerWaalsContact O-CG 3.28Å; K970-E974 WeakPolarHBondContact O-CG 3.2Å; K970-E974 PolarHBondContact O-N 3.16Å
971	S	86.8	Confident	77.9	Confident	36 Å²	36	75.9 Å²	75.9	25%	0.252	39%	0.393	S	S	.	.	H	α-helix	trans	-62.6	-35.5	175.4	-178.1	0	0	0	0	112.5	A967 A968 K969 D975	A967-S971 WeakPolarHBondContact O-CB 3.06Å; A967-S971 PolarHBondContact O-N 3.12Å; A968-S971 PolarHBondContact O-N 3.35Å; K969-S971 PolarHBondContact O-N 3.33Å; S971-D975 VanDerWaalsContact O-CB 3.22Å; S971-D975 WeakPolarHBondContact O-CB 3.23Å; S971-D975 PolarHBondContact O-N 2.98Å
972	Y	87	Confident	75.2	Confident	19 Å²	19	82 Å²	82	8%	0.075	41%	0.409	C	S	.	.	H	α-helix	trans	-68.9	-44.2	174.7	174.2	-97.9	0	0	0	112.1	M523 F524 V550 L554 A968 K969 K970 D975 K976	M523-Y972 HydrophobicContact CE-CE2 3.62Å; M523-Y972 WeakPolarHBondContact CE-OH 3.44Å; F524-Y972 AromaticContact CE1-CE2 3.94Å; F524-Y972 HydrophobicContact CE1-CE2 3.94Å; F524-Y972 HydrophobicContact CE2-CE2 4.35Å; F524-Y972 HydrophobicContact CZ-CD2 4.49Å; F524-Y972 AromaticContact CZ-CE2 3.51Å; F524-Y972 HydrophobicContact CZ-CE2 3.51Å; F524-Y972 AromaticContact CZ-CZ 3.89Å; V550-Y972 HydrophobicContact CG1-CD1 3.88Å; V550-Y972 HydrophobicContact CG1-CD2 3.71Å; V550-Y972 HydrophobicContact CG1-CE1 4.19Å; V550-Y972 HydrophobicContact CG1-CE2 4.04Å; V550-Y972 HydrophobicContact CG1-CG 3.63Å; L554-Y972 HydrophobicContact CD1-CE1 4.27Å; A968-Y972 WeakPolarHBondContact O-CB 3.33Å; A968-Y972 PolarHBondContact O-N 3.11Å; K969-Y972 PolarHBondContact O-N 3.15Å; K970-Y972 VanDerWaalsContact C-N 3.32Å; K970-Y972 PolarHBondContact O-N 3.49Å; Y972-D975 PolarHBondContact O-N 2.93Å; Y972-K976 PolarHBondContact O-N 3.4Å
973	E	83.8	Confident	72.6	Confident	57 Å²	57	81.2 Å²	81.2	27%	0.266	42%	0.416	S	S	.	.	H	α-helix	trans	-65.3	-38.3	174.2	-71	-178.4	-144.7	0	0	112.1	K969 K970 K976 R977	K969-E973 WeakPolarHBondContact CE-OE1 3.31Å; K969-E973 PolarHBondContact O-N 3.41Å; K970-E973 PolarHBondContact O-N 2.78Å; E973-K976 WeakPolarHBondContact O-CB 3.34Å; E973-K976 PolarHBondContact O-N 3.19Å; E973-R977 WeakPolarHBondContact O-CB 3.45Å; E973-R977 VanDerWaalsContact O-CG 3.26Å; E973-R977 WeakPolarHBondContact O-CG 3.3Å; E973-R977 PolarHBondContact O-N 3.41Å; E973-R977 IonicContact OE2-CZ 3.49Å; E973-R977 VanDerWaalsContact OE2-CZ 3.32Å; E973-R977 IonicContact OE2-NH1 3.3Å; E973-R977 PolarHBondContact OE2-NH1 3.49Å; E973-R977 VanDerWaalsContact OE2-NH1 3.08Å; E973-R977 IonicContact OE2-NH2 3.63Å; E973-R977 PolarHBondContact OE2-NH2 2.94Å
974	E	78.9	Confident	70	Confident	77 Å²	77	87.5 Å²	87.5	36%	0.36	42%	0.424	S	S	.	.	H	α-helix	trans	-69.7	-36.6	174	-73.7	177.6	146	0	0	112	K970 K976 R977 T978	K970-E974 WeakPolarHBondContact CE-OE1 3.24Å; K970-E974 HydrophobicContact CG-CG 4.36Å; K970-E974 IonicContact NZ-OE1 2.67Å; K970-E974 PolarHBondContact NZ-OE1 3.36Å; K970-E974 IonicContact NZ-OE2 2.7Å; K970-E974 PolarHBondContact NZ-OE2 3.44Å; K970-E974 VanDerWaalsContact O-CB 3.31Å; K970-E974 WeakPolarHBondContact O-CB 3.29Å; K970-E974 VanDerWaalsContact O-CG 3.28Å; K970-E974 WeakPolarHBondContact O-CG 3.2Å; K970-E974 PolarHBondContact O-N 3.16Å; E974-K976 PolarHBondContact O-N 3.35Å; E974-R977 PolarHBondContact O-N 3.4Å; E974-T978 VanDerWaalsContact O-CA 3.31Å; E974-T978 WeakPolarHBondContact O-CA 3.49Å; E974-T978 WeakPolarHBondContact O-CB 3.46Å; E974-T978 PolarHBondContact O-N 2.73Å; E974-T978 PolarHBondContact O-OG1 3.42Å
975	D	76.8	Confident	67.3	Low	52 Å²	52	90.3 Å²	90.3	28%	0.278	45%	0.448	S	S	.	.	H	α-helix	trans	-65.6	-28.7	171.5	-81.8	-32.6	0	0	0	112.1	L116 R547 S971 Y972	L116-D975 HydrophobicContact CD1-CB 4.01Å; R547-D975 IonicContact CZ-OD2 2.76Å; R547-D975 VanDerWaalsContact NH2-CG 3.33Å; R547-D975 IonicContact NH2-OD2 3.2Å; R547-D975 PolarHBondContact NH2-OD2 3.5Å; S971-D975 VanDerWaalsContact O-CB 3.22Å; S971-D975 WeakPolarHBondContact O-CB 3.23Å; S971-D975 PolarHBondContact O-N 2.98Å; Y972-D975 PolarHBondContact O-N 2.93Å
976	K	72.7	Confident	64.8	Low	29 Å²	29	91 Å²	91	13%	0.126	46%	0.46	C	S	.	.	H	α-helix	trans	-74.7	-36.5	174.7	-147.4	-169.2	-170.2	-168.7	0	112.6	E119 Y972 E973 E974	E119-K976 HydrophobicContact CB-CD 4.45Å; E119-K976 HydrophobicContact CB-CG 4.12Å; E119-K976 HydrophobicContact CG-CD 4.37Å; E119-K976 PolarHBondContact N-O 2.83Å; E119-K976 WeakPolarHBondContact OE1-CD 3.39Å; E119-K976 WeakPolarHBondContact OE1-CE 3.44Å; E119-K976 IonicContact OE1-NZ 3.64Å; E119-K976 PolarHBondContact OE1-NZ 2.82Å; Y972-K976 PolarHBondContact O-N 3.4Å; E973-K976 WeakPolarHBondContact O-CB 3.34Å; E973-K976 PolarHBondContact O-N 3.19Å; E974-K976 PolarHBondContact O-N 3.35Å
977	R	68.5	Low	62.3	Low	154 Å²	154	92.3 Å²	92.3	58%	0.581	46%	0.461	S	S	*	.	H	α-helix	trans	-97.7	-35.8	-173.5	-68.1	174	-172.1	139.5	12.9	115	E973 E974	E973-R977 WeakPolarHBondContact O-CB 3.45Å; E973-R977 VanDerWaalsContact O-CG 3.26Å; E973-R977 WeakPolarHBondContact O-CG 3.3Å; E973-R977 PolarHBondContact O-N 3.41Å; E973-R977 IonicContact OE2-CZ 3.49Å; E973-R977 VanDerWaalsContact OE2-CZ 3.32Å; E973-R977 IonicContact OE2-NH1 3.3Å; E973-R977 PolarHBondContact OE2-NH1 3.49Å; E973-R977 VanDerWaalsContact OE2-NH1 3.08Å; E973-R977 IonicContact OE2-NH2 3.63Å; E973-R977 PolarHBondContact OE2-NH2 2.94Å; E974-R977 PolarHBondContact O-N 3.4Å
978	T	53	Low	59.9	Low	84 Å²	84	93.2 Å²	93.2	52%	0.515	47%	0.468	S	S	.	.			trans	-110.6	18.2	-155	-38.7	0	0	0	0	113.2	E974 V980	E974-T978 VanDerWaalsContact O-CA 3.31Å; E974-T978 WeakPolarHBondContact O-CA 3.49Å; E974-T978 WeakPolarHBondContact O-CB 3.46Å; E974-T978 PolarHBondContact O-N 2.73Å; E974-T978 PolarHBondContact O-OG1 3.42Å; T978-V980 HydrophobicContact CG2-CG2 4.28Å; T978-V980 PolarHBondContact O-N 2.61Å
979	S	49.1	Very low	57.6	Low	38 Å²	38	101.2 Å²	101.2	27%	0.266	51%	0.506	S	S	.	.			trans	-74	43.2	165.8	53.1	0	0	0	0	112.5	R118	R118-S979 WeakPolarHBondContact CG-OG 3.2Å
980	V	36	Very low	55.3	Low	96 Å²	96	104.6 Å²	104.6	58%	0.582	52%	0.516	S	S	*	.			trans	-52	131.9	-177	-178.2	0	0	0	0	110.6	T978 Y982	T978-V980 HydrophobicContact CG2-CG2 4.28Å; T978-V980 PolarHBondContact O-N 2.61Å; V980-Y982 PolarHBondContact O-N 3.05Å
981	P	35.9	Very low	52.9	Low	99 Å²	99	107.2 Å²	107.2	64%	0.643	52%	0.524	S	S	*	.			trans	-69	98.6	172	29.1	-33.4	0	0	0	109	T983	P981-T983 PolarHBondContact O-N 2.84Å
982	Y	33.4	Very low	50.6	Low	205 Å²	205	111.6 Å²	111.6	80%	0.804	55%	0.552	S	S	*	*			trans	-69.3	82.8	170.9	-159.4	-78.4	0	0	0	109.1	V980 R984	V980-Y982 PolarHBondContact O-N 3.05Å; Y982-R984 HydrophobicContact CD1-CB 3.97Å; Y982-R984 HydrophobicContact CE1-CB 4.11Å; Y982-R984 HydrophobicContact CE1-CG 4.31Å; Y982-R984 PolarHBondContact O-N 2.74Å
983	T	35.3	Very low	48	Very low	124 Å²	124	115 Å²	115	76%	0.761	58%	0.584	S	S	*	*			trans	-68.9	72.9	173.1	49.9	0	0	0	0	109.3	P981 P985	P981-T983 PolarHBondContact O-N 2.84Å; T983-P985 WeakPolarHBondContact O-CD 3.28Å
984	R	35.4	Very low	45.8	Very low	205 Å²	205	117 Å²	117	77%	0.774	60%	0.604	S	S	*	*			trans	-57.1	122.9	176.8	-169.2	178.9	-170.9	-171.5	3.4	108.4	Y982 S986	Y982-R984 HydrophobicContact CD1-CB 3.97Å; Y982-R984 HydrophobicContact CE1-CB 4.11Å; Y982-R984 HydrophobicContact CE1-CG 4.31Å; Y982-R984 PolarHBondContact O-N 2.74Å; R984-S986 PolarHBondContact O-N 3.3Å
985	P	34.5	Very low	43.5	Very low	121 Å²	121	120.9 Å²	120.9	79%	0.786	63%	0.627	S	S	*	*			trans	-51	129	176.9	-30	36.9	0	0	0	111	T983 Y987	T983-P985 WeakPolarHBondContact O-CD 3.28Å; P985-Y987 PolarHBondContact O-N 3.32Å
986	S	38.4	Very low	41.4	Very low	69 Å²	69	126.1 Å²	126.1	48%	0.483	65%	0.65	S	S	.	*			trans	-72.8	115.1	-161.6	145.6	0	0	0	0	112.3	R984 A988 Q989	R984-S986 PolarHBondContact O-N 3.3Å; S986-A988 PolarHBondContact OG-N 3.19Å; S986-A988 VanDerWaalsContact OG-N 3.09Å; S986-Q989 PolarHBondContact OG-N 3.34Å
987	Y	39.4	Very low	39.6	Very low	193 Å²	193	128.6 Å²	128.6	76%	0.757	67%	0.671	S	S	*	*	S	Bend	trans	-82.7	-1.8	149.7	-135.6	-87.1	0	0	0	111.6	P985 Q989 Y990	P985-Y987 PolarHBondContact O-N 3.32Å; Y987-Q989 PolarHBondContact O-N 3.25Å; Y987-Y990 PolarHBondContact O-N 3.37Å
988	A	43	Very low	37.9	Very low	57 Å²	57	129.9 Å²	129.9	47%	0.471	69%	0.689	S	S	.	*	G	3₁₀ helix	trans	-70.2	-9.9	176.4	0	0	0	0	0	113.1	S986 Y990 Y991	S986-A988 PolarHBondContact OG-N 3.19Å; S986-A988 VanDerWaalsContact OG-N 3.09Å; A988-Y990 PolarHBondContact O-N 3.26Å; A988-Y990 VanDerWaalsContact O-N 3.08Å; A988-Y991 CarbonylContact O-C 3.44Å; A988-Y991 PolarHBondContact O-N 2.9Å
989	Q	42.4	Very low	36.9	Very low	171 Å²	171	131.7 Å²	131.7	80%	0.799	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-66.7	-7.3	171.5	-137.9	159.9	-7.9	0	0	112.9	S986 Y987	S986-Q989 PolarHBondContact OG-N 3.34Å; Y987-Q989 PolarHBondContact O-N 3.25Å
990	Y	41.3	Very low	36	Very low	197 Å²	197	133.1 Å²	133.1	77%	0.773	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-113.5	6.2	168.3	-79.1	-90.5	0	0	0	114	Y987 A988	Y987-Y990 PolarHBondContact O-N 3.37Å; A988-Y990 PolarHBondContact O-N 3.26Å; A988-Y990 VanDerWaalsContact O-N 3.08Å
991	Y	40.3	Very low	35.9	Very low	169 Å²	169	135.4 Å²	135.4	66%	0.663	72%	0.717	S	S	*	*	S	Bend	trans	-142.7	110.6	-179.4	-71.6	-84.4	0	0	0	111.2	A988 A993	A988-Y991 CarbonylContact O-C 3.44Å; A988-Y991 PolarHBondContact O-N 2.9Å; Y991-A993 PolarHBondContact O-N 3.47Å
992	P	38	Very low	35.8	Very low	128 Å²	128	136.7 Å²	136.7	83%	0.831	73%	0.725	S	S	*	*			trans	-54.4	124.8	-178.8	-27.1	35.2	0	0	0	113	S994	P992-S994 PolarHBondContact O-N 3.22Å
993	A	33	Very low	35.9	Very low	91 Å²	91	130.3 Å²	130.3	75%	0.752	72%	0.715	S	S	*	*			trans	-68.6	119	176.5	0	0	0	0	0	110.2	Y991 D995	Y991-A993 PolarHBondContact O-N 3.47Å; A993-D995 VanDerWaalsContact C-N 3.34Å; A993-D995 PolarHBondContact O-N 2.89Å
994	S	35.9	Very low	35.9	Very low	97 Å²	97	130.2 Å²	130.2	68%	0.678	71%	0.705	S	S	*	*			trans	-90.3	67.9	-178.5	23.6	0	0	0	0	110.9	P992 Q996	P992-S994 PolarHBondContact O-N 3.22Å; S994-Q996 PolarHBondContact O-N 3.35Å
995	D	32.1	Very low	35.8	Very low	159 Å²	159	126 Å²	126	85%	0.85	71%	0.706	S	S	*	*			trans	-82.1	60.8	177.4	-137.5	-11	0	0	0	111.2	A993	A993-D995 VanDerWaalsContact C-N 3.34Å; A993-D995 PolarHBondContact O-N 2.89Å
996	Q	33.1	Very low	35.7	Very low	163 Å²	163	130 Å²	130	76%	0.762	72%	0.715	S	S	*	*	S	Bend	trans	-166.8	106.7	174.4	-126.5	165.9	94.5	0	0	111	S994	S994-Q996 PolarHBondContact O-N 3.35Å
997	S	33.9	Very low	35.2	Very low	80 Å²	80	135.4 Å²	135.4	56%	0.559	72%	0.724	S	S	*	*			trans	59.2	139.2	169	64.2	0	0	0	0	118.3	T999	S997-T999 WeakPolarHBondContact CB-OG1 3.38Å; S997-T999 PolarHBondContact O-N 2.9Å; S997-T999 PolarHBondContact OG-OG1 3.13Å
998	L	32.2	Very low	34.8	Very low	182 Å²	182	132.9 Å²	132.9	95%	0.953	72%	0.724	S	S	*	*	S	Bend	trans	-79.4	43.8	171.4	-74.3	175.9	0	0	0	112.9
999	T	33.2	Very low	34	Very low	121 Å²	121	142.4 Å²	142.4	74%	0.742	75%	0.748	S	S	*	*			trans	-126.5	37.4	-177.6	53.4	0	0	0	0	112.5	S997	S997-T999 WeakPolarHBondContact CB-OG1 3.38Å; S997-T999 PolarHBondContact O-N 2.9Å; S997-T999 PolarHBondContact OG-OG1 3.13Å
1000	S	29.6	Very low	33.5	Very low	69 Å²	69	141.4 Å²	141.4	48%	0.483	74%	0.743	S	S	.	*			trans	-145.8	24.8	-171.9	72	0	0	0	0	117.6	P1002	S1000-P1002 WeakPolarHBondContact O-CD 3.42Å
1001	I	34.4	Very low	33	Very low	144 Å²	144	138.3 Å²	138.3	74%	0.738	75%	0.747	S	S	*	*			trans	-117.5	88.2	173.6	-55.2	-177	0	0	0	111.4	A1003	I1001-A1003 VanDerWaalsContact C-N 3.28Å; I1001-A1003 HydrophobicContact CG2-CB 4.26Å; I1001-A1003 PolarHBondContact O-N 2.62Å
1002	P	33.5	Very low	32.6	Very low	125 Å²	125	135.9 Å²	135.9	81%	0.812	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	67.5	-177	34.5	-36.8	0	0	0	112.3	S1000	S1000-P1002 WeakPolarHBondContact O-CD 3.42Å
1003	A	36.2	Very low	32.1	Very low	72 Å²	72	138 Å²	138	60%	0.595	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.9	-10.3	-179.5	0	0	0	0	0	115.3	I1001	I1001-A1003 VanDerWaalsContact C-N 3.28Å; I1001-A1003 HydrophobicContact CG2-CB 4.26Å; I1001-A1003 PolarHBondContact O-N 2.62Å
1004	F	33.7	Very low	32.1	Very low	122 Å²	122	143.5 Å²	143.5	54%	0.535	76%	0.76	S	S	.	*	S	Bend	trans	-142.4	25.8	-175.5	-126.5	-100.6	0	0	0	115.1	R102	R102-F1004 HydrophobicContact CB-CZ 4.37Å; R102-F1004 HydrophobicContact CG-CE2 4.45Å; R102-F1004 HydrophobicContact CG-CZ 4.28Å
1005	S	34.2	Very low	31.9	Very low	116 Å²	116	142 Å²	142	81%	0.811	76%	0.761	S	S	*	*			trans	-141.7	71.9	167.9	-79.5	0	0	0	0	111.3	R1007	S1005-R1007 VanDerWaalsContact C-N 3.3Å; S1005-R1007 PolarHBondContact O-N 2.82Å
1006	Q	31.4	Very low	31.9	Very low	205 Å²	205	142.3 Å²	142.3	96%	0.958	76%	0.762	S	S	*	*			trans	-81.6	79.9	156.5	-73.2	-175.6	-18.2	0	0	108.8
1007	R	29.5	Very low	32	Very low	183 Å²	183	144 Å²	144	69%	0.691	77%	0.77	S	S	*	*			trans	-109.4	89.8	159.8	-89.8	-172.7	171.2	173.8	-2.6	107.8	S50 S1005	S50-R1007 PolarHBondContact OG-NH1 3.06Å; S50-R1007 PolarHBondContact OG-NH2 3.47Å; S1005-R1007 VanDerWaalsContact C-N 3.3Å; S1005-R1007 PolarHBondContact O-N 2.82Å
1008	N	29.3	Very low	32	Very low	139 Å²	139	149.4 Å²	149.4	74%	0.743	78%	0.784	S	S	*	*			trans	-162.3	83.3	169.6	-121.8	-6.6	0	0	0	111
1009	W	27	Very low	32.4	Very low	257 Å²	257	145.8 Å²	145.8	97%	0.973	77%	0.771	S	S	*	*			trans	-148.4	91.6	155.8	-85.6	115	0	0	0	108.8
1010	Q	31.7	Very low	32.4	Very low	151 Å²	151	146.1 Å²	146.1	71%	0.706	77%	0.773	S	S	*	*			trans	-69.5	166.5	157.9	-61.5	174.8	-81.8	0	0	109
1011	P	30.7	Very low	32.6	Very low	132 Å²	132	147.4 Å²	147.4	86%	0.857	79%	0.787	S	S	*	*				-136	163.1	107.4	28.3	-12.1	0	0	0	114.9
1012	T	31.1	Very low	32.5	Very low	118 Å²	118	145.4 Å²	145.4	72%	0.724	79%	0.786	S	S	*	*			trans	-83.6	150	-173.5	49.8	0	0	0	0	114.5
1013	L	27.9	Very low	32.4	Very low	172 Å²	172	145.2 Å²	145.2	90%	0.901	78%	0.783	S	S	*	*			trans	-56.5	139.4	160.5	-75	157.7	0	0	0	113.2
1014	K	34.3	Very low	32.3	Very low	206 Å²	206	153.3 Å²	153.3	90%	0.896	80%	0.798	S	S	*	*			trans	-145.6	147	146	-84.1	-160.2	172.3	-173.4	0	108.6
1015	G	31.6	Very low	32.5	Very low	67 Å²	67	153 Å²	153	69%	0.691	81%	0.808	S	S	*	*			trans	-85.3	175.8	-166.8	0	0	0	0	0	116.2
1016	D	31.7	Very low	32.4	Very low	164 Å²	164	153.4 Å²	153.4	88%	0.877	81%	0.805	S	S	*	*			trans	39.3	130.2	154.7	-50.6	-47	0	0	0	119.1
1017	E	34.5	Very low	32.6	Very low	199 Å²	199	151.9 Å²	151.9	93%	0.93	80%	0.798	S	S	*	*			cis	-141	-174.1	35.4	-79.3	-169.6	84.3	0	0	115.3
1018	K	33.8	Very low	32.7	Very low	193 Å²	193	147.6 Å²	147.6	84%	0.839	80%	0.796	S	S	*	*			trans	-99	-177	179.8	-94.1	174	-178.4	167	0	111.6
1019	P	41.4	Very low	33	Very low	107 Å²	107	146.5 Å²	146.5	70%	0.695	80%	0.795	S	S	*	*			cis	-136.7	-163.9	-22	25.1	0.4	0	0	0	114.1
1020	V	32.8	Very low	33.4	Very low	127 Å²	127	140.2 Å²	140.2	77%	0.77	79%	0.787	S	S	*	*			trans	91.5	102.9	152.2	-165.3	0	0	0	0	119.8
1021	A	33.4	Very low	33.5	Very low	96 Å²	96	140.6 Å²	140.6	79%	0.793	79%	0.792	S	S	*	*				42.2	159.2	127	0	0	0	0	0	122.1
1022	S	32.7	Very low	33.8	Very low	102 Å²	102	139.5 Å²	139.5	71%	0.713	79%	0.785	S	S	*	*			cis	-162.6	164.7	13.6	85	0	0	0	0	113.6
1023	V	31.7	Very low	34.1	Very low	122 Å²	122	142.6 Å²	142.6	74%	0.739	79%	0.794	S	S	*	*			trans	67.1	97	150.4	-177.8	0	0	0	0	120.9
1024	R	34.2	Very low	34.5	Very low	241 Å²	241	142.6 Å²	142.6	91%	0.909	79%	0.791	S	S	*	*			trans	66.5	157.7	130.2	-66.1	-173.6	176.3	-172.8	-1.2	122.2
1025	P	38.4	Very low	34.5	Very low	117 Å²	117	137.7 Å²	137.7	76%	0.76	78%	0.781	S	S	*	*			trans	-116.6	176.5	-161.8	43.2	-32.9	0	0	0	115.5
1026	V	32.3	Very low	34.5	Very low	123 Å²	123	145.6 Å²	145.6	75%	0.745	79%	0.79	S	S	*	*			trans	172.2	150.6	140.6	145.5	0	0	0	0	113.7
1027	Q	33.8	Very low	34.6	Very low	173 Å²	173	146.5 Å²	146.5	81%	0.808	79%	0.788	S	S	*	*			trans	70.8	99.7	159.8	-84.2	154.4	-4.1	0	0	124.5
1028	S	32.9	Very low	34.6	Very low	93 Å²	93	142.8 Å²	142.8	65%	0.65	78%	0.779	S	S	*	*				28.9	121	125	58.8	0	0	0	0	125.4
1029	T	35	Very low	34.7	Very low	116 Å²	116	138.9 Å²	138.9	71%	0.712	77%	0.773	S	S	*	*				35.1	155.4	127.8	57.5	0	0	0	0	123.1
1030	P	34.8	Very low	34.4	Very low	125 Å²	125	141 Å²	141	81%	0.812	78%	0.777	S	S	*	*			cis	-143.4	-164.5	25.1	42.7	-20.5	0	0	0	118.4
1031	I	34.9	Very low	34.4	Very low	159 Å²	159	140.5 Å²	140.5	82%	0.815	78%	0.78	S	S	*	*			trans	-78.2	-175.3	-179.9	14.5	171.5	0	0	0	114.7
1032	P	36.2	Very low	34.3	Very low	109 Å²	109	139.4 Å²	139.4	71%	0.708	78%	0.778	S	S	*	*			cis	-137.5	-178.4	-9.6	38	-18.4	0	0	0	117.1
1033	M	38.8	Very low	34.2	Very low	184 Å²	184	138.1 Å²	138.1	91%	0.906	78%	0.78	S	S	*	*			trans	168.7	174	134.3	-91.4	-180	74.9	0	0	115.2
1034	M	35.8	Very low	34.4	Very low	171 Å²	171	139 Å²	139	84%	0.842	79%	0.786	S	S	*	*			trans	-130	-162	-170.9	-62.1	-175	73.6	0	0	112.4
1035	P	34.4	Very low	34.3	Very low	104 Å²	104	132.6 Å²	132.6	68%	0.675	78%	0.778	S	S	*	*				-130.7	169.8	-57.8	31.5	-12.7	0	0	0	117.2
1036	R	32.2	Very low	33.9	Very low	233 Å²	233	132.9 Å²	132.9	88%	0.879	78%	0.783	S	S	*	*			trans	30.8	136.6	146.1	-66.9	179.8	174.8	160.4	-1.9	123.9
1037	H	33.5	Very low	34	Very low	183 Å²	183	131.8 Å²	131.8	85%	0.847	79%	0.787	S	S	*	*			trans	-165.9	135.1	130.5	-97.7	-85.9	0	0	0	107.4
1038	V	34	Very low	33.9	Very low	121 Å²	121	128.5 Å²	128.5	73%	0.733	78%	0.783	S	S	*	*				50.9	151.7	57.2	-87	0	0	0	0	116.9
1039	P	36.2	Very low	33.6	Very low	111 Å²	111	129 Å²	129	72%	0.721	79%	0.787	S	S	*	*			cis	-123.8	-145.3	5.8	33.3	-8.6	0	0	0	112.7
1040	L	33.9	Very low	33.4	Very low	150 Å²	150	130.3 Å²	130.3	79%	0.785	79%	0.794	S	S	*	*			cis	-163.9	165.2	1.6	-151.3	130.4	0	0	0	112.2
1041	S	32.8	Very low	33.1	Very low	118 Å²	118	132.3 Å²	132.3	83%	0.825	80%	0.798	S	S	*	*			trans	74.1	136.1	158.6	-131.3	0	0	0	0	121.8
1042	G	32.4	Very low	32.9	Very low	73 Å²	73	131.8 Å²	131.8	75%	0.753	80%	0.803	S	S	*	*			cis	168.2	135.4	-12.4	0	0	0	0	0	117
1043	G	30.1	Very low	32.9	Very low	74 Å²	74	130.9 Å²	130.9	76%	0.763	80%	0.799	S	S	*	*			trans	85.6	150.3	163.2	0	0	0	0	0	118.4
1044	V	35.2	Very low	32.7	Very low	141 Å²	141	130.4 Å²	130.4	86%	0.855	80%	0.797	S	S	*	*			cis	-159.5	150.2	-5.6	-104.9	0	0	0	0	113.2
1045	S	34	Very low	33	Very low	107 Å²	107	127.7 Å²	127.7	75%	0.748	79%	0.785	S	S	*	*			trans	76.2	98.1	149.6	-59.7	0	0	0	0	124.2
1046	S	29.6	Very low	33.9	Very low	123 Å²	123	128.5 Å²	128.5	86%	0.86	78%	0.779	S	S	*	*				53.9	118	122.6	-54	0	0	0	0	124.5
1047	A	34.1	Very low	35.2	Very low	99 Å²	99	120.9 Å²	120.9	82%	0.818	76%	0.759	S	S	*	*				-166.2	150.5	123.7	0	0	0	0	0	114
1048	S	30.9	Very low	36.6	Very low	105 Å²	105	113.3 Å²	113.3	73%	0.734	73%	0.725	S	S	*	*			trans	-52.8	128.5	168.9	47.5	0	0	0	0	113.6
1049	S	27.8	Very low	38.1	Very low	104 Å²	104	112.6 Å²	112.6	73%	0.727	72%	0.717	S	S	*	*				87.3	101.1	56.1	77.5	0	0	0	0	115.7
1050	T	30.5	Very low	39.6	Very low	142 Å²	142	114.1 Å²	114.1	87%	0.871	71%	0.709	S	S	*	*			trans	-163	157.5	151.4	0.2	0	0	0	0	110.1
1051	N	28.2	Very low	41.1	Very low	168 Å²	168	109.1 Å²	109.1	90%	0.898	68%	0.683	S	S	*	*			trans	-79.6	152.4	-166.7	-64.8	-38.9	0	0	0	114.2
1052	T	31.3	Very low	42.8	Very low	147 Å²	147	108.6 Å²	108.6	90%	0.902	67%	0.668	S	S	*	*			trans	-133.6	117.6	167	-34.2	0	0	0	0	109.5
1053	S	35.3	Very low	44.6	Very low	91 Å²	91	115.3 Å²	115.3	64%	0.636	67%	0.67	S	S	*	*			trans	-110.8	132.5	-165.8	51.9	0	0	0	0	114.2	N1055	S1053-N1055 PolarHBondContact O-N 2.88Å
1054	M	34.1	Very low	46.3	Very low	174 Å²	174	115.4 Å²	115.4	86%	0.857	66%	0.664	S	S	*	*			trans	43.9	73.7	145.1	-59.9	-65.3	-116.4	0	0	117
1055	N	43.8	Very low	48	Very low	113 Å²	113	112.2 Å²	112.2	60%	0.604	66%	0.66	S	S	*	*			trans	-98.5	102.5	174.7	-129.6	-34	0	0	0	112	S1053 R1110	S1053-N1055 PolarHBondContact O-N 2.88Å; N1055-R1110 PolarHBondContact OD1-NH2 3.1Å
1056	F	52	Low	49.9	Very low	122 Å²	122	108.7 Å²	108.7	54%	0.535	63%	0.633	S	S	.	*			trans	-60.1	126.2	177.1	-176.4	-85.7	0	0	0	111.1	I1058 L1061 R1110	F1056-I1058 PolarHBondContact O-N 3Å; F1056-L1061 HydrophobicContact CE1-CG 4.47Å; F1056-R1110 PolarHBondContact O-NH1 2.85Å
1057	P	60.6	Low	52.3	Low	72 Å²	72	107.7 Å²	107.7	47%	0.468	62%	0.618	S	S	.	*			trans	-69.9	111.4	-174.6	-18	31.4	0	0	0	112.3	N1059 Y1060	P1057-N1059 PolarHBondContact O-N 3.4Å; P1057-N1059 VanDerWaalsContact O-N 3.13Å; P1057-Y1060 HydrophobicContact CB-CD2 3.98Å; P1057-Y1060 HydrophobicContact CB-CE2 4.11Å; P1057-Y1060 HydrophobicContact CG-CD2 4.4Å; P1057-Y1060 HydrophobicContact CG-CE2 4.22Å; P1057-Y1060 WeakPolarHBondContact O-CD2 3.26Å; P1057-Y1060 PolarHBondContact O-N 2.9Å
1058	I	62.8	Low	54.6	Low	24 Å²	24	103.5 Å²	103.5	12%	0.123	58%	0.582	C	S	.	*	T	Hydrogen-bonded Turn	trans	-65.1	-19.6	-173	-101.7	165.5	0	0	0	114.1	F1056 Y1060 L1061 V1068 H1099	F1056-I1058 PolarHBondContact O-N 3Å; I1058-Y1060 PolarHBondContact O-N 3.01Å; I1058-Y1060 VanDerWaalsContact O-N 3.17Å; I1058-L1061 HydrophobicContact CG1-CD1 4.37Å; I1058-L1061 WeakPolarHBondContact O-CB 3.26Å; I1058-L1061 PolarHBondContact O-N 3.09Å; I1058-L1061 VanDerWaalsContact O-N 3.13Å; I1058-V1068 HydrophobicContact CB-CG1 4.37Å; I1058-V1068 HydrophobicContact CD1-CG1 3.82Å; I1058-V1068 HydrophobicContact CG1-CG1 3.98Å; I1058-V1068 HydrophobicContact CG2-CB 3.93Å; I1058-V1068 HydrophobicContact CG2-CG1 3.56Å; I1058-V1068 HydrophobicContact CG2-CG2 4.43Å; I1058-H1099 HydrophobicContact CD1-CB 3.56Å; I1058-H1099 WeakPolarHBondContact CD1-CD2 3.4Å
1059	N	64.7	Low	57.1	Low	107 Å²	107	103.2 Å²	103.2	57%	0.572	57%	0.569	S	S	*	*	H	α-helix	trans	-61.4	-22.7	177.9	-55.7	-2.8	0	0	0	113.3	P1057 R1063	P1057-N1059 PolarHBondContact O-N 3.4Å; P1057-N1059 VanDerWaalsContact O-N 3.13Å; N1059-R1063 PolarHBondContact O-N 3.32Å
1060	Y	67.4	Low	59.9	Low	143 Å²	143	105 Å²	105	56%	0.561	56%	0.564	S	S	*	*	H	α-helix	trans	-68.9	-38	175.2	-76.1	-71.7	0	0	0	112.6	P1057 I1058 Q1062 R1063 A1064	P1057-Y1060 HydrophobicContact CB-CD2 3.98Å; P1057-Y1060 HydrophobicContact CB-CE2 4.11Å; P1057-Y1060 HydrophobicContact CG-CD2 4.4Å; P1057-Y1060 HydrophobicContact CG-CE2 4.22Å; P1057-Y1060 WeakPolarHBondContact O-CD2 3.26Å; P1057-Y1060 PolarHBondContact O-N 2.9Å; I1058-Y1060 PolarHBondContact O-N 3.01Å; I1058-Y1060 VanDerWaalsContact O-N 3.17Å; Y1060-Q1062 VanDerWaalsContact C-N 3.35Å; Y1060-Q1062 PolarHBondContact O-N 3.15Å; Y1060-R1063 PolarHBondContact O-N 3.31Å; Y1060-A1064 PolarHBondContact O-N 3Å
1061	L	66.4	Low	62.3	Low	45 Å²	45	100.2 Å²	100.2	24%	0.236	54%	0.535	C	S	.	.	H	α-helix	trans	-64.2	-41.9	178.5	-68.2	171.5	0	0	0	111	F1056 I1058 R1063 A1064 V1066 V1068 I1101	F1056-L1061 HydrophobicContact CE1-CG 4.47Å; I1058-L1061 HydrophobicContact CG1-CD1 4.37Å; I1058-L1061 WeakPolarHBondContact O-CB 3.26Å; I1058-L1061 PolarHBondContact O-N 3.09Å; I1058-L1061 VanDerWaalsContact O-N 3.13Å; L1061-R1063 VanDerWaalsContact C-N 3.27Å; L1061-R1063 PolarHBondContact O-N 2.97Å; L1061-A1064 CarbonylContact O-C 3.44Å; L1061-A1064 PolarHBondContact O-N 3.2Å; L1061-V1066 CarbonylContact C-O 3.57Å; L1061-V1066 HydrophobicContact CB-CB 4.04Å; L1061-V1066 HydrophobicContact CB-CG1 4.24Å; L1061-V1066 HydrophobicContact CD2-CB 4.47Å; L1061-V1066 HydrophobicContact CD2-CG1 4.42Å; L1061-V1066 WeakPolarHBondContact O-CB 3.31Å; L1061-V1066 PolarHBondContact O-N 3.16Å; L1061-V1068 HydrophobicContact CB-CG2 3.6Å; L1061-V1068 HydrophobicContact CD1-CG2 3.85Å; L1061-V1068 HydrophobicContact CG-CG2 4.38Å; L1061-I1101 HydrophobicContact CD1-CD1 3.97Å; L1061-I1101 HydrophobicContact CD1-CG1 4.31Å; L1061-I1101 HydrophobicContact CD1-CG2 4.15Å
1062	Q	68.8	Low	65	Low	107 Å²	107	96.2 Å²	96.2	50%	0.5	52%	0.516	S	S	.	.	H	α-helix	trans	-62	-32.1	177	-68.6	177.9	-22.5	0	0	113	Y1060 A1064 V1066 V1068	Y1060-Q1062 VanDerWaalsContact C-N 3.35Å; Y1060-Q1062 PolarHBondContact O-N 3.15Å; Q1062-A1064 VanDerWaalsContact C-N 3.34Å; Q1062-V1066 WeakPolarHBondContact CA-O 3.41Å; Q1062-V1066 PolarHBondContact N-O 3.05Å; Q1062-V1068 HydrophobicContact CG-CB 4.34Å; Q1062-V1068 HydrophobicContact CG-CG2 4.49Å; Q1062-V1068 PolarHBondContact NE2-O 2.78Å
1063	R	70.3	Confident	67.4	Low	213 Å²	213	89.7 Å²	89.7	80%	0.804	48%	0.476	S	S	*	.	H	α-helix	trans	-74.4	-22.7	173.5	-70.4	-179.3	179.5	167.5	-0.7	113.6	N1059 Y1060 L1061 G1065	N1059-R1063 PolarHBondContact O-N 3.32Å; Y1060-R1063 PolarHBondContact O-N 3.31Å; L1061-R1063 VanDerWaalsContact C-N 3.27Å; L1061-R1063 PolarHBondContact O-N 2.97Å; R1063-G1065 VanDerWaalsContact C-N 3.32Å
1064	A	65.3	Low	69.4	Low	77 Å²	77	91.7 Å²	91.7	64%	0.636	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	19.8	177.3	0	0	0	0	0	113.1	Y1060 L1061 Q1062 V1066	Y1060-A1064 PolarHBondContact O-N 3Å; L1061-A1064 CarbonylContact O-C 3.44Å; L1061-A1064 PolarHBondContact O-N 3.2Å; Q1062-A1064 VanDerWaalsContact C-N 3.34Å; A1064-V1066 PolarHBondContact O-N 3.43Å
1065	G	70.1	Confident	71.6	Confident	74 Å²	74	87.8 Å²	87.8	76%	0.763	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	6.6	-178.4	0	0	0	0	0	115.2	R1063	R1063-G1065 VanDerWaalsContact C-N 3.32Å
1066	V	75	Confident	73.3	Confident	32 Å²	32	85.7 Å²	85.7	19%	0.194	46%	0.459	C	S	.	.			trans	-91.6	115.6	-179.6	-178.3	0	0	0	0	109.5	L1061 Q1062 A1064 V1068 I1101 R1102	L1061-V1066 CarbonylContact C-O 3.57Å; L1061-V1066 HydrophobicContact CB-CB 4.04Å; L1061-V1066 HydrophobicContact CB-CG1 4.24Å; L1061-V1066 HydrophobicContact CD2-CB 4.47Å; L1061-V1066 HydrophobicContact CD2-CG1 4.42Å; L1061-V1066 WeakPolarHBondContact O-CB 3.31Å; L1061-V1066 PolarHBondContact O-N 3.16Å; Q1062-V1066 WeakPolarHBondContact CA-O 3.41Å; Q1062-V1066 PolarHBondContact N-O 3.05Å; A1064-V1066 PolarHBondContact O-N 3.43Å; V1066-V1068 HydrophobicContact CG1-CG2 4.5Å; V1066-V1068 PolarHBondContact O-N 2.83Å; V1066-I1101 HydrophobicContact CG1-CG2 3.53Å; V1066-R1102 WeakPolarHBondContact CG1-O 3.47Å
1067	L	78.7	Confident	74.4	Confident	102 Å²	102	82.7 Å²	82.7	53%	0.534	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	120.4	-179.2	-177	77.2	0	0	0	110.1	R1102	L1067-R1102 HydrophobicContact CB-CB 4.36Å; L1067-R1102 PolarHBondContact N-O 2.85Å; L1067-R1102 PolarHBondContact O-N 3.03Å
1068	V	83	Confident	75.1	Confident	12 Å²	12	82.6 Å²	82.6	7%	0.073	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.2	175.9	-170.6	0	0	0	0	111.5	I1058 L1061 Q1062 V1066 H1099 I1100 I1101	I1058-V1068 HydrophobicContact CB-CG1 4.37Å; I1058-V1068 HydrophobicContact CD1-CG1 3.82Å; I1058-V1068 HydrophobicContact CG1-CG1 3.98Å; I1058-V1068 HydrophobicContact CG2-CB 3.93Å; I1058-V1068 HydrophobicContact CG2-CG1 3.56Å; I1058-V1068 HydrophobicContact CG2-CG2 4.43Å; L1061-V1068 HydrophobicContact CB-CG2 3.6Å; L1061-V1068 HydrophobicContact CD1-CG2 3.85Å; L1061-V1068 HydrophobicContact CG-CG2 4.38Å; Q1062-V1068 HydrophobicContact CG-CB 4.34Å; Q1062-V1068 HydrophobicContact CG-CG2 4.49Å; Q1062-V1068 PolarHBondContact NE2-O 2.78Å; V1066-V1068 HydrophobicContact CG1-CG2 4.5Å; V1066-V1068 PolarHBondContact O-N 2.83Å; V1068-H1099 HydrophobicContact CG1-CB 4.26Å; V1068-I1100 WeakPolarHBondContact CA-O 3.3Å; V1068-I1101 HydrophobicContact CG1-CG1 4Å; V1068-I1101 HydrophobicContact CG2-CG1 4.14Å; V1068-I1101 HydrophobicContact CG2-CG2 4.29Å
1069	Q	82.6	Confident	75.3	Confident	98 Å²	98	83.2 Å²	83.2	46%	0.458	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	120.2	-178.6	-177.2	-178.3	1.9	0	0	110.3	V1071 H1099 I1100	Q1069-V1071 HydrophobicContact CG-CG2 4.01Å; Q1069-H1099 CarbonylContact O-C 3.58Å; Q1069-H1099 WeakPolarHBondContact O-CA 3.39Å; Q1069-I1100 PolarHBondContact N-O 3.2Å; Q1069-I1100 PolarHBondContact O-N 3.19Å
1070	K	86.6	Confident	74.8	Confident	141 Å²	141	83 Å²	83	61%	0.613	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.1	134.8	170.6	-169	177	-177.1	-174.5	0	109.9	S1097 I1098	K1070-S1097 WeakPolarHBondContact CE-OG 3.3Å; K1070-I1098 WeakPolarHBondContact CA-O 3.46Å
1071	V	82.2	Confident	74	Confident	43 Å²	43	79.2 Å²	79.2	26%	0.261	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	143.7	-178.7	179.1	0	0	0	0	108.9	Q1069 I1098 I1100	Q1069-V1071 HydrophobicContact CG-CG2 4.01Å; V1071-I1098 HydrophobicContact CB-CD1 4.46Å; V1071-I1098 HydrophobicContact CB-CG1 3.98Å; V1071-I1098 PolarHBondContact N-O 2.68Å; V1071-I1098 WeakPolarHBondContact O-CG1 3.23Å; V1071-I1098 PolarHBondContact O-N 3.45Å; V1071-I1100 HydrophobicContact CB-CD1 4.44Å; V1071-I1100 HydrophobicContact CG2-CD1 3.76Å; V1071-I1100 HydrophobicContact CG2-CG1 4.09Å
1072	V	85.1	Confident	73	Confident	84 Å²	84	83.2 Å²	83.2	51%	0.509	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	133.1	168.7	-179.6	0	0	0	0	108.2	T1074 E1096	V1072-T1074 PolarHBondContact O-N 3.48Å; V1072-E1096 WeakPolarHBondContact CA-O 3.42Å
1073	T	80.2	Confident	71.3	Confident	9 Å²	9	85.8 Å²	85.8	6%	0.055	50%	0.496	C	S	.	.			trans	-68.7	126.7	178.1	45	0	0	0	0	111.2	I1077 I1092 N1093 G1095 E1096 I1098	T1073-I1077 HydrophobicContact CG2-CD1 3.64Å; T1073-I1077 HydrophobicContact CG2-CG1 4.11Å; T1073-I1092 HydrophobicContact CG2-CG2 3.74Å; T1073-N1093 PolarHBondContact OG1-O 3.09Å; T1073-G1095 PolarHBondContact O-N 2.83Å; T1073-G1095 PolarHBondContact OG1-N 3.08Å; T1073-E1096 PolarHBondContact N-O 3.19Å; T1073-E1096 PolarHBondContact OG1-N 3.42Å; T1073-E1096 PolarHBondContact OG1-O 3.33Å; T1073-E1096 VanDerWaalsContact OG1-O 3.14Å; T1073-I1098 HydrophobicContact CG2-CD1 4.2Å; T1073-I1098 HydrophobicContact CG2-CG2 4.29Å
1074	T	78.1	Confident	69.9	Low	133 Å²	133	80 Å²	80	82%	0.816	49%	0.488	S	S	*	.	S	Bend	trans	-88.7	-17.9	176.1	49.7	0	0	0	0	113.2	V1072	V1072-T1074 PolarHBondContact O-N 3.48Å
1075	T	80.4	Confident	68.6	Low	92 Å²	92	82.4 Å²	82.4	56%	0.564	50%	0.501	S	S	*	.	S	Bend	trans	-139.7	158.8	177.8	55.8	0	0	0	0	108.8	I1077	T1075-I1077 PolarHBondContact O-N 2.59Å
1076	D	80.3	Confident	67.4	Low	69 Å²	69	84 Å²	84	37%	0.369	50%	0.496	S	S	.	.			trans	-61.5	131.7	171.9	-59.3	-49.3	0	0	0	110.7	R1091 I1092 N1093 A1094	D1076-R1091 HydrophobicContact CB-CG 4.39Å; D1076-R1091 IonicContact OD1-NE 3.08Å; D1076-R1091 IonicContact OD1-NH2 3.6Å; D1076-R1091 IonicContact OD2-CZ 2.85Å; D1076-R1091 IonicContact OD2-NE 3.05Å; D1076-R1091 IonicContact OD2-NH2 2.84Å; D1076-R1091 PolarHBondContact OD2-NH2 3Å; D1076-I1092 CarbonylContact C-O 3.56Å; D1076-I1092 WeakPolarHBondContact CA-O 3.49Å; D1076-N1093 VanDerWaalsContact OD1-CA 3.26Å; D1076-N1093 WeakPolarHBondContact OD1-CA 3.29Å; D1076-A1094 PolarHBondContact OD1-N 3.15Å
1077	I	74.7	Confident	65.6	Low	59 Å²	59	89.3 Å²	89.3	30%	0.303	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	108.1	174.3	-52.7	-179.3	0	0	0	107.9	T1073 T1075 I1079 R1091 I1092	T1073-I1077 HydrophobicContact CG2-CD1 3.64Å; T1073-I1077 HydrophobicContact CG2-CG1 4.11Å; T1075-I1077 PolarHBondContact O-N 2.59Å; I1077-I1079 HydrophobicContact CG2-CG1 4.31Å; I1077-R1091 WeakPolarHBondContact O-CA 3.14Å; I1077-I1092 HydrophobicContact CB-CB 4.23Å; I1077-I1092 PolarHBondContact N-O 2.9Å; I1077-I1092 PolarHBondContact O-N 3.33Å
1078	V	74.3	Confident	63.9	Low	71 Å²	71	90.6 Å²	90.6	43%	0.43	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	121.4	169.1	-179	0	0	0	0	108.3	P1080 Q1089	V1078-P1080 WeakPolarHBondContact O-CD 3.17Å; V1078-Q1089 HydrophobicContact CG1-CB 4.22Å
1079	I	67.4	Low	62.6	Low	37 Å²	37	96 Å²	96	19%	0.19	56%	0.56	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.7	116	177.3	-60.3	-177.9	0	0	0	108.5	I1077 G1081 A1090 I1092 F1117	I1077-I1079 HydrophobicContact CG2-CG1 4.31Å; I1079-G1081 PolarHBondContact O-N 3.32Å; I1079-A1090 HydrophobicContact CB-CB 4.33Å; I1079-A1090 WeakPolarHBondContact CB-O 3.42Å; I1079-A1090 PolarHBondContact N-O 3.14Å; I1079-I1092 HydrophobicContact CD1-CD1 3.84Å; I1079-I1092 HydrophobicContact CD1-CG1 4.25Å; I1079-F1117 HydrophobicContact CD1-CB 3.78Å; I1079-F1117 HydrophobicContact CD1-CD1 3.53Å; I1079-F1117 HydrophobicContact CD1-CD2 3.63Å; I1079-F1117 HydrophobicContact CD1-CE1 3.92Å; I1079-F1117 HydrophobicContact CD1-CE2 4.02Å; I1079-F1117 HydrophobicContact CD1-CG 3.36Å; I1079-F1117 HydrophobicContact CD1-CZ 4.15Å; I1079-F1117 HydrophobicContact CG2-CD1 4.12Å
1080	P	54.6	Low	61.7	Low	102 Å²	102	92.2 Å²	92.2	66%	0.662	55%	0.545	S	S	*	.			trans	-63	127.5	179.7	-22.7	34.4	0	0	0	111.6	V1078	V1078-P1080 WeakPolarHBondContact O-CD 3.17Å
1081	G	50.8	Low	61	Low	64 Å²	64	91.9 Å²	91.9	66%	0.66	54%	0.54	S	S	*	.			trans	-68.7	136.6	175.3	0	0	0	0	0	111.7	I1079 N1083	I1079-G1081 PolarHBondContact O-N 3.32Å; G1081-N1083 PolarHBondContact O-N 3.5Å
1082	L	43.9	Very low	60.9	Low	128 Å²	128	89.9 Å²	89.9	67%	0.67	53%	0.528	S	S	*	.			trans	-84	105.1	173.5	-74.6	165.8	0	0	0	110.1	S1084	L1082-S1084 PolarHBondContact O-N 2.99Å
1083	N	35	Very low	60.5	Low	161 Å²	161	89 Å²	89	86%	0.861	52%	0.52	S	S	*	.	S	Bend	trans	51.2	47.1	150.5	-53.8	17.9	0	0	0	116.4	G1081	G1081-N1083 PolarHBondContact O-N 3.5Å
1084	S	39	Very low	60.5	Low	91 Å²	91	91.1 Å²	91.1	64%	0.636	54%	0.538	S	S	*	.			trans	-139.3	139.7	170.7	-177.7	0	0	0	0	110.7	L1082 T1086	L1082-S1084 PolarHBondContact O-N 2.99Å; S1084-T1086 PolarHBondContact O-N 3.31Å; S1084-T1086 PolarHBondContact OG-OG1 3.38Å
1085	S	39.7	Very low	60.5	Low	128 Å²	128	87.4 Å²	87.4	90%	0.895	53%	0.526	S	S	*	.	S	Bend	trans	-84.1	41.8	-174.4	64.3	0	0	0	0	113.7
1086	T	45	Very low	60.6	Low	107 Å²	107	85.7 Å²	85.7	66%	0.656	51%	0.512	S	S	*	.	S	Bend	trans	-130.3	110	176.5	39.7	0	0	0	0	110.1	S1084 V1088	S1084-T1086 PolarHBondContact O-N 3.31Å; S1084-T1086 PolarHBondContact OG-OG1 3.38Å; T1086-V1088 PolarHBondContact O-N 2.9Å
1087	D	35.6	Very low	60.7	Low	144 Å²	144	83.9 Å²	83.9	77%	0.77	51%	0.505	S	S	*	.			trans	-83.3	87.3	-161.1	-166.2	11.9	0	0	0	113.1
1088	V	43.4	Very low	61.3	Low	129 Å²	129	81.3 Å²	81.3	78%	0.782	49%	0.491	S	S	*	.			trans	-134.7	82.1	169.7	-171.8	0	0	0	0	109.7	T1086 A1090	T1086-V1088 PolarHBondContact O-N 2.9Å; V1088-A1090 PolarHBondContact O-N 3.24Å
1089	Q	55.4	Low	61.9	Low	127 Å²	127	79.4 Å²	79.4	59%	0.593	48%	0.478	S	S	*	.			trans	-64	120.7	170.7	-62.1	-177.2	16.8	0	0	110.2	V1078 R1091	V1078-Q1089 HydrophobicContact CG1-CB 4.22Å; Q1089-R1091 PolarHBondContact O-N 3.04Å; Q1089-R1091 VanDerWaalsContact O-N 3.13Å
1090	A	63.7	Low	62.8	Low	18 Å²	18	79.2 Å²	79.2	15%	0.149	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	103	178.5	0	0	0	0	0	110.2	I1079 V1088 F1117	I1079-A1090 HydrophobicContact CB-CB 4.33Å; I1079-A1090 WeakPolarHBondContact CB-O 3.42Å; I1079-A1090 PolarHBondContact N-O 3.14Å; V1088-A1090 PolarHBondContact O-N 3.24Å; A1090-F1117 HydrophobicContact CB-CE1 3.81Å; A1090-F1117 HydrophobicContact CB-CZ 4.02Å
1091	R	71.8	Confident	64.3	Low	133 Å²	133	75.3 Å²	75.3	50%	0.502	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	127.9	171.6	-172.5	-178.2	-171.8	151.1	-2.1	110	D1076 I1077 Q1089	D1076-R1091 HydrophobicContact CB-CG 4.39Å; D1076-R1091 IonicContact OD1-NE 3.08Å; D1076-R1091 IonicContact OD1-NH2 3.6Å; D1076-R1091 IonicContact OD2-CZ 2.85Å; D1076-R1091 IonicContact OD2-NE 3.05Å; D1076-R1091 IonicContact OD2-NH2 2.84Å; D1076-R1091 PolarHBondContact OD2-NH2 3Å; I1077-R1091 WeakPolarHBondContact O-CA 3.14Å; Q1089-R1091 PolarHBondContact O-N 3.04Å; Q1089-R1091 VanDerWaalsContact O-N 3.13Å
1092	I	79.6	Confident	65.9	Low	2 Å²	2	77.6 Å²	77.6	1%	0.01	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	120.8	161.9	-51.1	178.5	0	0	0	105.6	T1073 D1076 I1077 I1079 E1096 I1098 I1109 T1111	T1073-I1092 HydrophobicContact CG2-CG2 3.74Å; D1076-I1092 CarbonylContact C-O 3.56Å; D1076-I1092 WeakPolarHBondContact CA-O 3.49Å; I1077-I1092 HydrophobicContact CB-CB 4.23Å; I1077-I1092 PolarHBondContact N-O 2.9Å; I1077-I1092 PolarHBondContact O-N 3.33Å; I1079-I1092 HydrophobicContact CD1-CD1 3.84Å; I1079-I1092 HydrophobicContact CD1-CG1 4.25Å; I1092-E1096 WeakPolarHBondContact CA-OE2 3.24Å; I1092-E1096 HydrophobicContact CG2-CB 3.93Å; I1092-E1096 VanDerWaalsContact CG2-OE2 3.23Å; I1092-E1096 WeakPolarHBondContact CG2-OE2 3.19Å; I1092-I1098 HydrophobicContact CD1-CG2 4.24Å; I1092-I1098 HydrophobicContact CG2-CG2 3.81Å; I1092-I1109 HydrophobicContact CD1-CG2 3.92Å; I1092-T1111 HydrophobicContact CD1-CG2 3.46Å; I1092-T1111 VanDerWaalsContact CD1-CG2 3.46Å; I1092-T1111 HydrophobicContact CG1-CG2 3.66Å; I1092-T1111 HydrophobicContact CG2-CG2 4.17Å
1093	N	78.2	Confident	67.6	Low	66 Å²	66	72.9 Å²	72.9	35%	0.353	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-77.9	155.3	-173.9	-57.3	-69.3	0	0	0	111.4	T1073 D1076 G1095 E1096	T1073-N1093 PolarHBondContact OG1-O 3.09Å; D1076-N1093 VanDerWaalsContact OD1-CA 3.26Å; D1076-N1093 WeakPolarHBondContact OD1-CA 3.29Å; N1093-G1095 PolarHBondContact O-N 2.86Å; N1093-E1096 HydrophobicContact CB-CG 4.17Å; N1093-E1096 VanDerWaalsContact N-CD 3.3Å; N1093-E1096 PolarHBondContact N-OE2 3.28Å; N1093-E1096 PolarHBondContact ND2-OE1 3.01Å; N1093-E1096 WeakPolarHBondContact O-CB 3.34Å; N1093-E1096 PolarHBondContact O-N 3.24Å
1094	A	79.5	Confident	69.6	Low	52 Å²	52	72.5 Å²	72.5	43%	0.43	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	132	168.2	0	0	0	0	0	110.7	D1076	D1076-A1094 PolarHBondContact OD1-N 3.15Å
1095	G	79.4	Confident	71.1	Confident	55 Å²	55	77.4 Å²	77.4	57%	0.567	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.1	-5.4	-175.3	0	0	0	0	0	115.1	T1073 N1093	T1073-G1095 PolarHBondContact O-N 2.83Å; T1073-G1095 PolarHBondContact OG1-N 3.08Å; N1093-G1095 PolarHBondContact O-N 2.86Å
1096	E	81.4	Confident	73	Confident	57 Å²	57	72.7 Å²	72.7	27%	0.266	41%	0.407	S	S	.	.			trans	-78.5	138.8	177.5	-72.4	178	177.1	0	0	112.7	V1072 T1073 I1092 N1093 I1098	V1072-E1096 WeakPolarHBondContact CA-O 3.42Å; T1073-E1096 PolarHBondContact N-O 3.19Å; T1073-E1096 PolarHBondContact OG1-N 3.42Å; T1073-E1096 PolarHBondContact OG1-O 3.33Å; T1073-E1096 VanDerWaalsContact OG1-O 3.14Å; I1092-E1096 WeakPolarHBondContact CA-OE2 3.24Å; I1092-E1096 HydrophobicContact CG2-CB 3.93Å; I1092-E1096 VanDerWaalsContact CG2-OE2 3.23Å; I1092-E1096 WeakPolarHBondContact CG2-OE2 3.19Å; N1093-E1096 HydrophobicContact CB-CG 4.17Å; N1093-E1096 VanDerWaalsContact N-CD 3.3Å; N1093-E1096 PolarHBondContact N-OE2 3.28Å; N1093-E1096 PolarHBondContact ND2-OE1 3.01Å; N1093-E1096 WeakPolarHBondContact O-CB 3.34Å; N1093-E1096 PolarHBondContact O-N 3.24Å; E1096-I1098 PolarHBondContact O-N 3.2Å
1097	S	81.5	Confident	74.8	Confident	31 Å²	31	69.9 Å²	69.9	22%	0.217	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	104.8	-179.3	164.6	0	0	0	0	111.2	K1070 S1112	K1070-S1097 WeakPolarHBondContact CE-OG 3.3Å; S1097-S1112 WeakPolarHBondContact O-CB 3.35Å; S1097-S1112 PolarHBondContact O-N 3.05Å
1098	I	88.1	Confident	77.1	Confident	4 Å²	4	67.1 Å²	67.1	2%	0.021	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	164.8	174.3	67.7	173.5	0	0	0	112.1	K1070 V1071 T1073 I1092 E1096 I1100 I1109 R1110 T1111	K1070-I1098 WeakPolarHBondContact CA-O 3.46Å; V1071-I1098 HydrophobicContact CB-CD1 4.46Å; V1071-I1098 HydrophobicContact CB-CG1 3.98Å; V1071-I1098 PolarHBondContact N-O 2.68Å; V1071-I1098 WeakPolarHBondContact O-CG1 3.23Å; V1071-I1098 PolarHBondContact O-N 3.45Å; T1073-I1098 HydrophobicContact CG2-CD1 4.2Å; T1073-I1098 HydrophobicContact CG2-CG2 4.29Å; I1092-I1098 HydrophobicContact CD1-CG2 4.24Å; I1092-I1098 HydrophobicContact CG2-CG2 3.81Å; E1096-I1098 PolarHBondContact O-N 3.2Å; I1098-I1100 HydrophobicContact CD1-CG1 4.47Å; I1098-I1109 HydrophobicContact CB-CG2 4.03Å; I1098-I1109 HydrophobicContact CD1-CD1 4.4Å; I1098-I1109 HydrophobicContact CD1-CG1 4.34Å; I1098-I1109 HydrophobicContact CD1-CG2 3.9Å; I1098-I1109 HydrophobicContact CG2-CG2 4.16Å; I1098-R1110 CarbonylContact C-O 3.56Å; I1098-R1110 WeakPolarHBondContact CA-O 3.43Å; I1098-T1111 HydrophobicContact CG2-CG2 3.99Å
1099	H	87	Confident	79.2	Confident	32 Å²	32	62.1 Å²	62.1	15%	0.148	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	119	170	-59.5	89.7	0	0	0	109.7	I1058 V1068 Q1069 R1110	I1058-H1099 HydrophobicContact CD1-CB 3.56Å; I1058-H1099 WeakPolarHBondContact CD1-CD2 3.4Å; V1068-H1099 HydrophobicContact CG1-CB 4.26Å; Q1069-H1099 CarbonylContact O-C 3.58Å; Q1069-H1099 WeakPolarHBondContact O-CA 3.39Å; H1099-R1110 HydrophobicContact CB-CB 4.41Å; H1099-R1110 PolarHBondContact N-O 3.19Å; H1099-R1110 PolarHBondContact O-N 3.42Å
1100	I	86.6	Confident	80.6	Confident	32 Å²	32	56.9 Å²	56.9	16%	0.164	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	119.7	173.6	-54.4	-177.3	0	0	0	107.8	V1068 Q1069 V1071 I1098 R1102 T1107 Y1108 I1109	V1068-I1100 WeakPolarHBondContact CA-O 3.3Å; Q1069-I1100 PolarHBondContact N-O 3.2Å; Q1069-I1100 PolarHBondContact O-N 3.19Å; V1071-I1100 HydrophobicContact CB-CD1 4.44Å; V1071-I1100 HydrophobicContact CG2-CD1 3.76Å; V1071-I1100 HydrophobicContact CG2-CG1 4.09Å; I1098-I1100 HydrophobicContact CD1-CG1 4.47Å; I1100-R1102 HydrophobicContact CG2-CG 4.33Å; I1100-T1107 HydrophobicContact CG2-CG2 3.63Å; I1100-Y1108 CarbonylContact C-O 3.6Å; I1100-Y1108 WeakPolarHBondContact CA-O 3.28Å; I1100-I1109 HydrophobicContact CG1-CG1 4.39Å
1101	I	86.8	Confident	81.7	Confident	20 Å²	20	56.2 Å²	56.2	10%	0.103	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120.6	-179.7	-59.2	168.9	0	0	0	107.2	L1061 V1066 V1068 T1107 Y1108 R1110	L1061-I1101 HydrophobicContact CD1-CD1 3.97Å; L1061-I1101 HydrophobicContact CD1-CG1 4.31Å; L1061-I1101 HydrophobicContact CD1-CG2 4.15Å; V1066-I1101 HydrophobicContact CG1-CG2 3.53Å; V1068-I1101 HydrophobicContact CG1-CG1 4Å; V1068-I1101 HydrophobicContact CG2-CG1 4.14Å; V1068-I1101 HydrophobicContact CG2-CG2 4.29Å; I1101-T1107 CarbonylContact O-C 3.58Å; I1101-T1107 WeakPolarHBondContact O-CA 3.27Å; I1101-Y1108 PolarHBondContact N-O 3.38Å; I1101-Y1108 PolarHBondContact O-N 3.17Å; I1101-R1110 HydrophobicContact CD1-CB 4.09Å
1102	R	82.9	Confident	81.9	Confident	112 Å²	112	53.1 Å²	53.1	42%	0.423	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	120.1	175.2	-54.9	-168.7	-178.4	123.5	1.6	110.2	V1066 L1067 I1100 G1106 T1107	V1066-R1102 WeakPolarHBondContact CG1-O 3.47Å; L1067-R1102 HydrophobicContact CB-CB 4.36Å; L1067-R1102 PolarHBondContact N-O 2.85Å; L1067-R1102 PolarHBondContact O-N 3.03Å; I1100-R1102 HydrophobicContact CG2-CG 4.33Å; R1102-G1106 WeakPolarHBondContact CA-O 3.43Å; R1102-T1107 HydrophobicContact CG-CG2 4.06Å
1103	G	79.8	Confident	81.8	Confident	30 Å²	30	57.1 Å²	57.1	31%	0.309	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	-179.9	170.5	0	0	0	0	0	111	K1105 G1106	G1103-K1105 PolarHBondContact O-N 2.9Å; G1103-K1105 VanDerWaalsContact O-N 3.15Å; G1103-G1106 PolarHBondContact N-O 2.77Å; G1103-G1106 PolarHBondContact O-N 3.27Å
1104	T	77.3	Confident	81.6	Confident	153 Å²	153	55.3 Å²	55.3	94%	0.939	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-32.7	179.6	50.3	0	0	0	0	113.6
1105	K	70.4	Confident	81.6	Confident	193 Å²	193	58.8 Å²	58.8	84%	0.839	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	4.4	179.7	-57.9	-166.5	177.9	-171.3	0	115.1	G1103	G1103-K1105 PolarHBondContact O-N 2.9Å; G1103-K1105 VanDerWaalsContact O-N 3.15Å
1106	G	79.4	Confident	81.7	Confident	30 Å²	30	61 Å²	61	31%	0.309	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	140.4	-170	169.9	0	0	0	0	0	116.9	R1102 G1103	R1102-G1106 WeakPolarHBondContact CA-O 3.43Å; G1103-G1106 PolarHBondContact N-O 2.77Å; G1103-G1106 PolarHBondContact O-N 3.27Å
1107	T	82.3	Confident	81.7	Confident	47 Å²	47	60.2 Å²	60.2	29%	0.288	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	134.8	176.9	-61.4	0	0	0	0	111.3	I1100 I1101 R1102 V1119	I1100-T1107 HydrophobicContact CG2-CG2 3.63Å; I1101-T1107 CarbonylContact O-C 3.58Å; I1101-T1107 WeakPolarHBondContact O-CA 3.27Å; R1102-T1107 HydrophobicContact CG-CG2 4.06Å; T1107-V1119 HydrophobicContact CG2-CB 4.11Å; T1107-V1119 HydrophobicContact CG2-CG2 3.97Å; T1107-V1119 PolarHBondContact O-N 2.63Å
1108	Y	85.4	Confident	81.7	Confident	87 Å²	87	61.6 Å²	61.6	34%	0.341	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	144.5	-179.3	-53.8	-98.6	0	0	0	110.8	I1100 I1101 I1116 F1117 A1118	I1100-Y1108 CarbonylContact C-O 3.6Å; I1100-Y1108 WeakPolarHBondContact CA-O 3.28Å; I1101-Y1108 PolarHBondContact N-O 3.38Å; I1101-Y1108 PolarHBondContact O-N 3.17Å; Y1108-I1116 HydrophobicContact CD1-CG2 4.22Å; Y1108-I1116 HydrophobicContact CG-CG2 4.41Å; Y1108-F1117 CarbonylContact C-O 3.37Å; Y1108-F1117 WeakPolarHBondContact CA-O 3.34Å; Y1108-A1118 HydrophobicContact CD1-CB 3.89Å; Y1108-A1118 HydrophobicContact CE1-CB 3.95Å
1109	I	87.1	Confident	80.9	Confident	23 Å²	23	65 Å²	65	12%	0.118	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	117.9	171.3	-73.5	168	0	0	0	108.2	I1092 I1098 I1100 I1116 F1117 V1119	I1092-I1109 HydrophobicContact CD1-CG2 3.92Å; I1098-I1109 HydrophobicContact CB-CG2 4.03Å; I1098-I1109 HydrophobicContact CD1-CD1 4.4Å; I1098-I1109 HydrophobicContact CD1-CG1 4.34Å; I1098-I1109 HydrophobicContact CD1-CG2 3.9Å; I1098-I1109 HydrophobicContact CG2-CG2 4.16Å; I1100-I1109 HydrophobicContact CG1-CG1 4.39Å; I1109-I1116 CarbonylContact O-C 3.38Å; I1109-I1116 WeakPolarHBondContact O-CA 3.47Å; I1109-F1117 PolarHBondContact N-O 2.95Å; I1109-F1117 PolarHBondContact O-N 3.04Å; I1109-V1119 HydrophobicContact CB-CG2 4.39Å; I1109-V1119 HydrophobicContact CD1-CG2 3.6Å; I1109-V1119 HydrophobicContact CG1-CG2 3.59Å
1110	R	85.2	Confident	79.7	Confident	17 Å²	17	72.5 Å²	72.5	6%	0.064	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	114.9	169.9	179.2	174.1	175.8	-130.4	-14.7	109.9	N1055 F1056 I1098 H1099 I1101 R1115 I1116	N1055-R1110 PolarHBondContact OD1-NH2 3.1Å; F1056-R1110 PolarHBondContact O-NH1 2.85Å; I1098-R1110 CarbonylContact C-O 3.56Å; I1098-R1110 WeakPolarHBondContact CA-O 3.43Å; H1099-R1110 HydrophobicContact CB-CB 4.41Å; H1099-R1110 PolarHBondContact N-O 3.19Å; H1099-R1110 PolarHBondContact O-N 3.42Å; I1101-R1110 HydrophobicContact CD1-CB 4.09Å; R1110-R1115 CarbonylContact C-O 3.55Å; R1110-R1115 VanDerWaalsContact CA-O 3.26Å; R1110-R1115 WeakPolarHBondContact CA-O 3.32Å; R1110-I1116 HydrophobicContact CB-CG1 4.06Å; R1110-I1116 HydrophobicContact CG-CD1 4.48Å; R1110-I1116 HydrophobicContact CG-CG1 3.96Å
1111	T	85.8	Confident	78	Confident	5 Å²	5	76 Å²	76	3%	0.031	41%	0.414	C	S	.	.			trans	-73	166	177.3	38.3	0	0	0	0	112.4	I1092 I1098 D1113 G1114 R1115 F1117	I1092-T1111 HydrophobicContact CD1-CG2 3.46Å; I1092-T1111 VanDerWaalsContact CD1-CG2 3.46Å; I1092-T1111 HydrophobicContact CG1-CG2 3.66Å; I1092-T1111 HydrophobicContact CG2-CG2 4.17Å; I1098-T1111 HydrophobicContact CG2-CG2 3.99Å; T1111-D1113 VanDerWaalsContact CB-OD1 3.28Å; T1111-D1113 WeakPolarHBondContact CB-OD1 3.44Å; T1111-D1113 PolarHBondContact O-N 2.98Å; T1111-D1113 PolarHBondContact OG1-OD1 2.7Å; T1111-G1114 PolarHBondContact O-N 2.95Å; T1111-R1115 PolarHBondContact N-O 2.73Å; T1111-R1115 WeakPolarHBondContact OG1-CB 3.46Å; T1111-R1115 PolarHBondContact OG1-N 3.07Å; T1111-R1115 PolarHBondContact OG1-O 3.35Å; T1111-R1115 VanDerWaalsContact OG1-O 3.1Å; T1111-F1117 HydrophobicContact CG2-CD2 4.4Å; T1111-F1117 HydrophobicContact CG2-CE2 3.87Å
1112	S	75.6	Confident	75.9	Confident	67 Å²	67	80.9 Å²	80.9	47%	0.469	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.1	179.4	39.5	0	0	0	0	114.1	S1097 G1114	S1097-S1112 WeakPolarHBondContact O-CB 3.35Å; S1097-S1112 PolarHBondContact O-N 3.05Å; S1112-G1114 VanDerWaalsContact C-N 3.34Å
1113	D	78.7	Confident	73.7	Confident	86 Å²	86	79 Å²	79	46%	0.46	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-3.9	173.3	66.2	2.9	0	0	0	114.2	T1111 R1115	T1111-D1113 VanDerWaalsContact CB-OD1 3.28Å; T1111-D1113 WeakPolarHBondContact CB-OD1 3.44Å; T1111-D1113 PolarHBondContact O-N 2.98Å; T1111-D1113 PolarHBondContact OG1-OD1 2.7Å; D1113-R1115 PolarHBondContact OD1-N 3.44Å; D1113-R1115 VanDerWaalsContact OD1-N 3.08Å; D1113-R1115 IonicContact OD1-NE 2.67Å; D1113-R1115 IonicContact OD2-CZ 3.95Å; D1113-R1115 IonicContact OD2-NE 3.76Å; D1113-R1115 PolarHBondContact OD2-NE 3.47Å; D1113-R1115 IonicContact OD2-NH2 3.5Å; D1113-R1115 PolarHBondContact OD2-NH2 3.33Å
1114	G	74	Confident	71.3	Confident	29 Å²	29	87.1 Å²	87.1	30%	0.299	49%	0.487	S	S	.	.	S	Bend	trans	94.6	-7.2	177.2	0	0	0	0	0	116.3	T1111 S1112	T1111-G1114 PolarHBondContact O-N 2.95Å; S1112-G1114 VanDerWaalsContact C-N 3.34Å
1115	R	78.2	Confident	69.2	Low	125 Å²	125	85.5 Å²	85.5	47%	0.472	48%	0.479	S	S	.	.			trans	-61.5	145.7	173.4	-68.2	-179.2	-80	172.3	-4.6	110.6	R1110 T1111 D1113 F1117	R1110-R1115 CarbonylContact C-O 3.55Å; R1110-R1115 VanDerWaalsContact CA-O 3.26Å; R1110-R1115 WeakPolarHBondContact CA-O 3.32Å; T1111-R1115 PolarHBondContact N-O 2.73Å; T1111-R1115 WeakPolarHBondContact OG1-CB 3.46Å; T1111-R1115 PolarHBondContact OG1-N 3.07Å; T1111-R1115 PolarHBondContact OG1-O 3.35Å; T1111-R1115 VanDerWaalsContact OG1-O 3.1Å; D1113-R1115 PolarHBondContact OD1-N 3.44Å; D1113-R1115 VanDerWaalsContact OD1-N 3.08Å; D1113-R1115 IonicContact OD1-NE 2.67Å; D1113-R1115 IonicContact OD2-CZ 3.95Å; D1113-R1115 IonicContact OD2-NE 3.76Å; D1113-R1115 PolarHBondContact OD2-NE 3.47Å; D1113-R1115 IonicContact OD2-NH2 3.5Å; D1113-R1115 PolarHBondContact OD2-NH2 3.33Å; R1115-F1117 HydrophobicContact CB-CE2 3.7Å; R1115-F1117 HydrophobicContact CB-CZ 3.81Å
1116	I	82.4	Confident	67.3	Low	101 Å²	101	86.2 Å²	86.2	52%	0.518	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	127	-178.6	-54.3	-177.5	0	0	0	109.9	Y1108 I1109 R1110	Y1108-I1116 HydrophobicContact CD1-CG2 4.22Å; Y1108-I1116 HydrophobicContact CG-CG2 4.41Å; I1109-I1116 CarbonylContact O-C 3.38Å; I1109-I1116 WeakPolarHBondContact O-CA 3.47Å; R1110-I1116 HydrophobicContact CB-CG1 4.06Å; R1110-I1116 HydrophobicContact CG-CD1 4.48Å; R1110-I1116 HydrophobicContact CG-CG1 3.96Å
1117	F	82.1	Confident	65.1	Low	40 Å²	40	88.6 Å²	88.6	18%	0.175	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	125	-176.7	-54.8	-86.4	0	0	0	110.3	I1079 A1090 Y1108 I1109 T1111 R1115	I1079-F1117 HydrophobicContact CD1-CB 3.78Å; I1079-F1117 HydrophobicContact CD1-CD1 3.53Å; I1079-F1117 HydrophobicContact CD1-CD2 3.63Å; I1079-F1117 HydrophobicContact CD1-CE1 3.92Å; I1079-F1117 HydrophobicContact CD1-CE2 4.02Å; I1079-F1117 HydrophobicContact CD1-CG 3.36Å; I1079-F1117 HydrophobicContact CD1-CZ 4.15Å; I1079-F1117 HydrophobicContact CG2-CD1 4.12Å; A1090-F1117 HydrophobicContact CB-CE1 3.81Å; A1090-F1117 HydrophobicContact CB-CZ 4.02Å; Y1108-F1117 CarbonylContact C-O 3.37Å; Y1108-F1117 WeakPolarHBondContact CA-O 3.34Å; I1109-F1117 PolarHBondContact N-O 2.95Å; I1109-F1117 PolarHBondContact O-N 3.04Å; T1111-F1117 HydrophobicContact CG2-CD2 4.4Å; T1111-F1117 HydrophobicContact CG2-CE2 3.87Å; R1115-F1117 HydrophobicContact CB-CE2 3.7Å; R1115-F1117 HydrophobicContact CB-CZ 3.81Å
1118	A	80.4	Confident	62.7	Low	60 Å²	60	92.1 Å²	92.1	50%	0.496	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	125.5	176.4	0	0	0	0	0	110.9	Y1108 R1120	Y1108-A1118 HydrophobicContact CD1-CB 3.89Å; Y1108-A1118 HydrophobicContact CE1-CB 3.95Å; A1118-R1120 PolarHBondContact O-N 2.94Å
1119	V	70.6	Confident	60.3	Low	75 Å²	75	97.4 Å²	97.4	46%	0.455	55%	0.55	S	S	.	*			trans	-81.8	86.8	-178.4	-173.1	0	0	0	0	109.7	T1107 I1109	T1107-V1119 HydrophobicContact CG2-CB 4.11Å; T1107-V1119 HydrophobicContact CG2-CG2 3.97Å; T1107-V1119 PolarHBondContact O-N 2.63Å; I1109-V1119 HydrophobicContact CB-CG2 4.39Å; I1109-V1119 HydrophobicContact CD1-CG2 3.6Å; I1109-V1119 HydrophobicContact CG1-CG2 3.59Å
1120	R	63.1	Low	57.7	Low	191 Å²	191	104.4 Å²	104.4	72%	0.721	59%	0.588	S	S	*	*			trans	-82	121.2	168.3	-63.1	-174.9	179.9	-168.1	-0.5	108.9	A1118 T1122	A1118-R1120 PolarHBondContact O-N 2.94Å; R1120-T1122 PolarHBondContact O-N 3.49Å; R1120-T1122 VanDerWaalsContact O-N 3.14Å
1121	A	50.8	Low	55.3	Low	104 Å²	104	106.8 Å²	106.8	86%	0.86	62%	0.618	S	S	*	*			trans	-69.4	108.5	177	0	0	0	0	0	110.3
1122	T	43.1	Very low	52.7	Low	124 Å²	124	117.2 Å²	117.2	76%	0.761	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-71.4	134.9	169.8	41.7	0	0	0	0	110	R1120	R1120-T1122 PolarHBondContact O-N 3.49Å; R1120-T1122 VanDerWaalsContact O-N 3.14Å
1123	G	35.5	Very low	50.7	Low	71 Å²	71	122.5 Å²	122.5	73%	0.732	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-60.2	139.5	173.7	0	0	0	0	0	110.7
1124	K	29.4	Very low	48.6	Very low	201 Å²	201	123 Å²	123	87%	0.874	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-52.7	128	-176.5	-67.3	179.2	178.7	178.1	0	111	K1126	K1124-K1126 PolarHBondContact O-N 3.33Å
1125	P	33.2	Very low	46.8	Very low	120 Å²	120	126.1 Å²	126.1	78%	0.779	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-62.7	128	159.8	28.2	-32.2	0	0	0	108	A1127	P1125-A1127 PolarHBondContact O-N 2.84Å
1126	K	31.7	Very low	44.9	Very low	207 Å²	207	126.3 Å²	126.3	90%	0.9	74%	0.736	S	S	*	*			trans	-76.8	107.6	175.1	-163.7	178.6	-176.6	-174.8	0	107.6	K1124	K1124-K1126 PolarHBondContact O-N 3.33Å
1127	A	33.5	Very low	42.5	Very low	81 Å²	81	124.2 Å²	124.2	67%	0.669	74%	0.739	S	S	*	*			trans	-65	148.3	-176.1	0	0	0	0	0	111.9	P1125	P1125-A1127 PolarHBondContact O-N 2.84Å
1128	P	31.9	Very low	40.3	Very low	121 Å²	121	128 Å²	128	79%	0.786	77%	0.77	S	S	*	*			trans	-75.9	136.6	168.7	32.1	-32.9	0	0	0	110.5
1129	E	34.1	Very low	38.2	Very low	197 Å²	197	134.8 Å²	134.8	92%	0.921	79%	0.792	S	S	*	*			trans	-93.5	109.7	169.5	-72.1	-173.7	114.2	0	0	110.1
1130	D	32	Very low	36.4	Very low	171 Å²	171	134.8 Å²	134.8	91%	0.914	81%	0.807	S	S	*	*			trans	-101	103.6	171	-125.2	-40	0	0	0	109.1
1131	G	34.4	Very low	35.2	Very low	67 Å²	67	131.5 Å²	131.5	69%	0.691	81%	0.811	S	S	*	*			trans	-122.2	-2.3	-149	0	0	0	0	0	119.6
1132	R	33	Very low	34.3	Very low	223 Å²	223	131.6 Å²	131.6	84%	0.842	81%	0.805	S	S	*	*			trans	68.2	130.5	172.3	-61.8	178.9	170.6	-179	-2.1	120.2
1133	M	32.4	Very low	33.7	Very low	179 Å²	179	133.7 Å²	133.7	88%	0.882	81%	0.811	S	S	*	*			trans	69.4	142.8	152	-61.7	175.4	-167.7	0	0	117.3
1134	A	34.4	Very low	33.7	Very low	95 Å²	95	134.8 Å²	134.8	79%	0.785	81%	0.813	S	S	*	*			cis	-154.4	177.3	12.9	0	0	0	0	0	113.2
1135	A	37.7	Very low	33.8	Very low	96 Å²	96	129.7 Å²	129.7	79%	0.793	80%	0.802	S	S	*	*			trans	65.4	120.2	170.6	0	0	0	0	0	116.8
1136	S	36.4	Very low	33.9	Very low	129 Å²	129	130 Å²	130	90%	0.902	80%	0.802	S	S	*	*				79	123.6	60.9	-169.2	0	0	0	0	113.2
1137	G	32.8	Very low	34	Very low	57 Å²	57	124.4 Å²	124.4	59%	0.588	79%	0.789	S	S	*	*			cis	174.9	-174.4	1.1	0	0	0	0	0	112.5
1138	S	36.6	Very low	34	Very low	118 Å²	118	128.5 Å²	128.5	83%	0.825	80%	0.8	S	S	*	*			trans	65.1	125.4	-176.7	64.6	0	0	0	0	115.7
1139	Q	35.9	Very low	34	Very low	204 Å²	204	126 Å²	126	95%	0.953	80%	0.796	S	S	*	*				79.8	129.9	58.3	-74.8	-166.9	38.8	0	0	115.2
1140	G	32.1	Very low	33.9	Very low	75 Å²	75	127 Å²	127	77%	0.773	79%	0.792	S	S	*	*			trans	132.6	105.6	161.6	0	0	0	0	0	116.5
1141	P	39	Very low	34.3	Very low	122 Å²	122	125.5 Å²	125.5	79%	0.792	78%	0.778	S	S	*	*			trans	-103.9	163.9	172.2	38.6	-32.8	0	0	0	113.3
1142	S	31.6	Very low	34.2	Very low	106 Å²	106	127.4 Å²	127.4	74%	0.741	78%	0.781	S	S	*	*				163.9	143.3	124.9	53.5	0	0	0	0	117.1
1143	L	31.3	Very low	34.3	Very low	168 Å²	168	121 Å²	121	88%	0.88	78%	0.777	S	S	*	*			trans	62.3	150	137	-78.8	162	0	0	0	125.3
1144	A	35	Very low	34.4	Very low	94 Å²	94	117.6 Å²	117.6	78%	0.777	77%	0.77	S	S	*	*			trans	83.8	145	152.9	0	0	0	0	0	120.5
1145	S	31.6	Very low	34.5	Very low	94 Å²	94	118.5 Å²	118.5	66%	0.657	77%	0.77	S	S	*	*			cis	-175.6	149.6	-20.9	179.8	0	0	0	0	112.2
1146	T	34.1	Very low	34.5	Very low	126 Å²	126	119.2 Å²	119.2	77%	0.773	77%	0.767	S	S	*	*			trans	63.7	154.9	150.8	39.4	0	0	0	0	120.3
1147	S	35	Very low	34.2	Very low	90 Å²	90	122.9 Å²	122.9	63%	0.629	77%	0.767	S	S	*	*			cis	-170.7	143.9	-11	49.2	0	0	0	0	115.6
1148	N	32.5	Very low	34.3	Very low	166 Å²	166	125 Å²	125	89%	0.888	78%	0.779	S	S	*	*			trans	54.7	129.3	134.5	-58.7	-17.7	0	0	0	125.3
1149	G	33.5	Very low	34.1	Very low	69 Å²	69	125.2 Å²	125.2	71%	0.711	78%	0.777	S	S	*	*			trans	156.4	110	146.1	0	0	0	0	0	113
1150	R	31.8	Very low	34	Very low	219 Å²	219	123.3 Å²	123.3	83%	0.826	77%	0.774	S	S	*	*				70.4	131.5	66.6	-76.1	178.2	167.1	-135.8	11.2	113.4
1151	H	39.5	Very low	34.3	Very low	138 Å²	138	124.8 Å²	124.8	64%	0.639	77%	0.77	S	S	*	*			cis	-152.5	152.7	13.8	-93.6	-65	0	0	0	113.7
1152	S	32.6	Very low	34.1	Very low	107 Å²	107	128.6 Å²	128.6	75%	0.748	78%	0.777	S	S	*	*			trans	38.2	155.4	135.3	-40.8	0	0	0	0	123
1153	A	35.9	Very low	33.9	Very low	90 Å²	90	127.2 Å²	127.2	74%	0.744	78%	0.779	S	S	*	*			cis	-157.6	161.9	20.4	0	0	0	0	0	116.6
1154	S	34.4	Very low	34	Very low	106 Å²	106	127.8 Å²	127.8	74%	0.741	78%	0.782	S	S	*	*			trans	-13.2	152.8	157.9	55.8	0	0	0	0	121.1
1155	S	36.2	Very low	34	Very low	114 Å²	114	128.2 Å²	128.2	80%	0.797	79%	0.786	S	S	*	*				-163.2	175.1	53.6	-112.7	0	0	0	0	114.9
1156	P	36.3	Very low	33.8	Very low	111 Å²	111	135 Å²	135	72%	0.721	80%	0.797	S	S	*	*			trans	-128.2	179.8	-152	45.6	-34.9	0	0	0	119.6
1157	K	30.4	Very low	34.1	Very low	206 Å²	206	135 Å²	135	90%	0.896	80%	0.799	S	S	*	*			trans	85.1	109.5	156.9	-72.2	-173.6	172	-175.1	0	121.3
1158	A	35.3	Very low	34.2	Very low	102 Å²	102	136.9 Å²	136.9	84%	0.843	81%	0.806	S	S	*	*				-160.5	158.6	113.2	0	0	0	0	0	109.6
1159	P	33	Very low	34.3	Very low	122 Å²	122	133.2 Å²	133.2	79%	0.792	79%	0.793	S	S	*	*			trans	-115.7	146.4	-175.9	38.6	-27.7	0	0	0	115.2
1160	D	33.9	Very low	34.5	Very low	164 Å²	164	135 Å²	135	88%	0.877	79%	0.793	S	S	*	*			trans	-124.3	141.2	165.3	-76.5	-49.4	0	0	0	110.5
1161	P	38	Very low	34.9	Very low	107 Å²	107	131.1 Å²	131.1	70%	0.695	79%	0.788	S	S	*	*			trans	-97.7	152.4	170.6	37.1	-31.6	0	0	0	112.8
1162	E	33.6	Very low	35.2	Very low	202 Å²	202	125.8 Å²	125.8	94%	0.944	77%	0.766	S	S	*	*			trans	49.6	133	148.5	-61.9	173	-179.3	0	0	120.3
1163	G	29	Very low	35.9	Very low	76 Å²	76	125.4 Å²	125.4	78%	0.784	76%	0.761	S	S	*	*			cis	151.6	62.9	3.6	0	0	0	0	0	113.7
1164	L	33.2	Very low	36.5	Very low	181 Å²	181	127.8 Å²	127.8	95%	0.948	76%	0.757	S	S	*	*			trans	-127.8	123.8	172.1	-88.7	168.6	0	0	0	111.3
1165	A	33.8	Very low	37	Very low	102 Å²	102	126.4 Å²	126.4	84%	0.843	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-81.1	137.2	-173.9	0	0	0	0	0	112.4
1166	R	29.1	Very low	37.6	Very low	238 Å²	238	125.3 Å²	125.3	90%	0.898	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-98.3	128.1	174.2	-155.2	-178.4	-157.6	-166.1	6.3	109.1
1167	P	40.3	Very low	38.3	Very low	125 Å²	125	123.2 Å²	123.2	81%	0.812	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-60.8	148.2	177.6	-25	35.2	0	0	0	113
1168	V	35.8	Very low	39.2	Very low	129 Å²	129	118.7 Å²	118.7	78%	0.782	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-79.6	145.4	-178.6	179.1	0	0	0	0	110.8
1169	S	34.3	Very low	39.7	Very low	89 Å²	89	119.4 Å²	119.4	62%	0.622	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-63.6	146.4	178.2	-59.4	0	0	0	0	112.9	D1171	S1169-D1171 PolarHBondContact O-N 3.49Å; S1169-D1171 VanDerWaalsContact O-N 3.08Å
1170	P	39.4	Very low	40.6	Very low	107 Å²	107	119.1 Å²	119.1	70%	0.695	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	6.4	-166.6	31.3	-37.6	0	0	0	116.4
1171	D	40.2	Very low	41.4	Very low	137 Å²	137	117.7 Å²	117.7	73%	0.733	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	19.3	-175.9	-63	-61.3	0	0	0	114.2	S1169	S1169-D1171 PolarHBondContact O-N 3.49Å; S1169-D1171 VanDerWaalsContact O-N 3.08Å
1172	S	45.3	Very low	41.8	Very low	26 Å²	26	120.5 Å²	120.5	18%	0.182	66%	0.658	C	S	.	*			trans	-70	130.3	171.7	177.8	0	0	0	0	111.2	E1174 I1175	S1172-E1174 PolarHBondContact O-N 3.08Å; S1172-E1174 PolarHBondContact OG-N 2.91Å; S1172-E1174 PolarHBondContact OG-OE2 3.49Å; S1172-I1175 PolarHBondContact O-N 3.38Å
1173	P	47.3	Very low	42.5	Very low	99 Å²	99	113.6 Å²	113.6	64%	0.643	64%	0.635	S	S	*	*	H	α-helix	trans	-65.6	-17	176	28.6	-35.6	0	0	0	113.3	I1176 S1177	P1173-I1176 PolarHBondContact O-N 2.84Å; P1173-S1177 PolarHBondContact O-N 3.29Å; P1173-S1177 VanDerWaalsContact O-N 3.16Å
1174	E	47.8	Very low	43.5	Very low	141 Å²	141	114.8 Å²	114.8	66%	0.659	62%	0.624	S	S	*	*	H	α-helix	trans	-69.9	-40	179.1	-62.8	167.6	137.8	0	0	111.2	S1172 I1176 S1177 E1178	S1172-E1174 PolarHBondContact O-N 3.08Å; S1172-E1174 PolarHBondContact OG-N 2.91Å; S1172-E1174 PolarHBondContact OG-OE2 3.49Å; E1174-I1176 VanDerWaalsContact C-N 3.29Å; E1174-I1176 PolarHBondContact O-N 3.19Å; E1174-S1177 WeakPolarHBondContact O-CB 3.42Å; E1174-S1177 PolarHBondContact O-N 2.91Å; E1174-S1177 PolarHBondContact O-OG 2.94Å; E1174-E1178 PolarHBondContact O-N 2.77Å; E1174-E1178 VanDerWaalsContact O-N 3.08Å
1175	I	45.4	Very low	44.3	Very low	76 Å²	76	110.3 Å²	110.3	39%	0.39	60%	0.604	S	S	.	*	H	α-helix	trans	-65	-35.7	175.5	-61.2	173.6	0	0	0	110.6	S1172 S1177 E1178 L1179	S1172-I1175 PolarHBondContact O-N 3.38Å; I1175-S1177 VanDerWaalsContact C-N 3.29Å; I1175-S1177 PolarHBondContact O-N 3.41Å; I1175-E1178 PolarHBondContact O-N 3.21Å; I1175-L1179 HydrophobicContact CG2-CD1 3.74Å; I1175-L1179 WeakPolarHBondContact O-CD1 3.08Å; I1175-L1179 PolarHBondContact O-N 2.74Å
1176	I	47.6	Very low	44.7	Very low	92 Å²	92	108 Å²	108	47%	0.472	59%	0.585	S	S	.	*	H	α-helix	trans	-62.2	-41.1	173.3	-58.2	179	0	0	0	109.8	P1173 E1174 L1179 Q1180	P1173-I1176 PolarHBondContact O-N 2.84Å; E1174-I1176 VanDerWaalsContact C-N 3.29Å; E1174-I1176 PolarHBondContact O-N 3.19Å; I1176-L1179 PolarHBondContact O-N 3.48Å; I1176-Q1180 WeakPolarHBondContact O-CB 3.42Å; I1176-Q1180 PolarHBondContact O-N 2.86Å
1177	S	51.3	Low	45.3	Very low	66 Å²	66	99.3 Å²	99.3	46%	0.462	56%	0.564	S	S	.	*	H	α-helix	trans	-65.8	-36.5	177.5	81.2	0	0	0	0	113.7	P1173 E1174 I1175 Q1180 Q1181	P1173-S1177 PolarHBondContact O-N 3.29Å; P1173-S1177 VanDerWaalsContact O-N 3.16Å; E1174-S1177 WeakPolarHBondContact O-CB 3.42Å; E1174-S1177 PolarHBondContact O-N 2.91Å; E1174-S1177 PolarHBondContact O-OG 2.94Å; I1175-S1177 VanDerWaalsContact C-N 3.29Å; I1175-S1177 PolarHBondContact O-N 3.41Å; S1177-Q1180 PolarHBondContact O-N 2.81Å; S1177-Q1181 PolarHBondContact O-N 2.88Å
1178	E	50.4	Low	45.3	Very low	112 Å²	112	96 Å²	96	52%	0.523	55%	0.547	S	S	.	.	H	α-helix	trans	-67.9	-46.6	172.4	-75.1	-162.2	133.5	0	0	111.8	E1174 I1175 Q1180 Q1181 Y1182	E1174-E1178 PolarHBondContact O-N 2.77Å; E1174-E1178 VanDerWaalsContact O-N 3.08Å; I1175-E1178 PolarHBondContact O-N 3.21Å; E1178-Q1180 VanDerWaalsContact C-N 3.26Å; E1178-Q1180 PolarHBondContact O-N 2.57Å; E1178-Q1181 WeakPolarHBondContact O-CB 3.16Å; E1178-Q1181 PolarHBondContact O-N 3.19Å; E1178-Q1181 VanDerWaalsContact O-N 3.08Å; E1178-Y1182 HydrophobicContact CB-CD2 4.49Å; E1178-Y1182 HydrophobicContact CB-CE2 4.42Å; E1178-Y1182 WeakPolarHBondContact O-CD2 3.19Å; E1178-Y1182 PolarHBondContact O-N 2.71Å
1179	L	45.1	Very low	45.3	Very low	116 Å²	116	100.2 Å²	100.2	61%	0.607	55%	0.549	S	S	*	.	H	α-helix	trans	-62.1	-34.3	175.7	-95.9	107	0	0	0	112.4	I1175 I1176 Y1182 A1183	I1175-L1179 HydrophobicContact CG2-CD1 3.74Å; I1175-L1179 WeakPolarHBondContact O-CD1 3.08Å; I1175-L1179 PolarHBondContact O-N 2.74Å; I1176-L1179 PolarHBondContact O-N 3.48Å; L1179-Y1182 PolarHBondContact O-N 2.73Å; L1179-A1183 VanDerWaalsContact O-CB 3.31Å; L1179-A1183 WeakPolarHBondContact O-CB 3.44Å; L1179-A1183 PolarHBondContact O-N 3.43Å
1180	Q	52.4	Low	45.4	Very low	116 Å²	116	104.5 Å²	104.5	54%	0.542	56%	0.559	S	S	.	*	H	α-helix	trans	-61.5	-47.2	171.6	-144.2	94.6	20	0	0	110.4	I1176 S1177 E1178 Y1182 A1183 D1184	I1176-Q1180 WeakPolarHBondContact O-CB 3.42Å; I1176-Q1180 PolarHBondContact O-N 2.86Å; S1177-Q1180 PolarHBondContact O-N 2.81Å; E1178-Q1180 VanDerWaalsContact C-N 3.26Å; E1178-Q1180 PolarHBondContact O-N 2.57Å; Q1180-Y1182 PolarHBondContact O-N 2.6Å; Q1180-A1183 PolarHBondContact O-N 2.94Å; Q1180-D1184 WeakPolarHBondContact O-CB 3.26Å; Q1180-D1184 PolarHBondContact O-N 3.33Å
1181	Q	51.2	Low	45	Very low	135 Å²	135	103.4 Å²	103.4	63%	0.631	55%	0.554	S	S	*	*	H	α-helix	trans	-62.4	-41.1	176	-76.2	-170.9	2.8	0	0	113	S1177 E1178 D1184 V1185	S1177-Q1181 PolarHBondContact O-N 2.88Å; E1178-Q1181 WeakPolarHBondContact O-CB 3.16Å; E1178-Q1181 PolarHBondContact O-N 3.19Å; E1178-Q1181 VanDerWaalsContact O-N 3.08Å; Q1181-D1184 PolarHBondContact O-N 2.95Å; Q1181-V1185 VanDerWaalsContact O-CB 3.31Å; Q1181-V1185 WeakPolarHBondContact O-CB 3.32Å; Q1181-V1185 WeakPolarHBondContact O-CG2 3.41Å; Q1181-V1185 PolarHBondContact O-N 3.43Å
1182	Y	46.4	Very low	44.5	Very low	165 Å²	165	107.1 Å²	107.1	65%	0.647	56%	0.557	S	S	*	*	H	α-helix	trans	-66.4	-38.1	176.1	-76.3	-66.5	0	0	0	112.2	E1178 L1179 Q1180 V1185 A1186	E1178-Y1182 HydrophobicContact CB-CD2 4.49Å; E1178-Y1182 HydrophobicContact CB-CE2 4.42Å; E1178-Y1182 WeakPolarHBondContact O-CD2 3.19Å; E1178-Y1182 PolarHBondContact O-N 2.71Å; L1179-Y1182 PolarHBondContact O-N 2.73Å; Q1180-Y1182 PolarHBondContact O-N 2.6Å; Y1182-V1185 PolarHBondContact O-N 3.32Å; Y1182-A1186 PolarHBondContact O-N 3.03Å
1183	A	48.1	Very low	43.9	Very low	57 Å²	57	115.3 Å²	115.3	47%	0.471	59%	0.593	S	S	.	*	H	α-helix	trans	-66.7	-42.9	174	0	0	0	0	0	112.3	L1179 Q1180 A1186 A1187	L1179-A1183 VanDerWaalsContact O-CB 3.31Å; L1179-A1183 WeakPolarHBondContact O-CB 3.44Å; L1179-A1183 PolarHBondContact O-N 3.43Å; Q1180-A1183 PolarHBondContact O-N 2.94Å; A1183-A1186 WeakPolarHBondContact O-CB 3.5Å; A1183-A1186 PolarHBondContact O-N 3.45Å; A1183-A1187 WeakPolarHBondContact O-CB 3.32Å; A1183-A1187 PolarHBondContact O-N 2.88Å
1184	D	48.9	Very low	43.2	Very low	101 Å²	101	115.8 Å²	115.8	54%	0.54	60%	0.599	S	S	.	*	H	α-helix	trans	-66.6	-36.1	176.3	-74.1	-26	0	0	0	111.7	Q1180 Q1181 A1186 A1187 A1188	Q1180-D1184 WeakPolarHBondContact O-CB 3.26Å; Q1180-D1184 PolarHBondContact O-N 3.33Å; Q1181-D1184 PolarHBondContact O-N 2.95Å; D1184-A1186 VanDerWaalsContact C-N 3.35Å; D1184-A1187 PolarHBondContact O-N 3.28Å; D1184-A1188 WeakPolarHBondContact O-CB 3.27Å; D1184-A1188 PolarHBondContact O-N 2.94Å
1185	V	50.6	Low	42.5	Very low	88 Å²	88	113 Å²	113	53%	0.533	59%	0.594	S	S	.	*	H	α-helix	trans	-69.2	-30.9	173.8	167.4	0	0	0	0	112.1	Q1181 Y1182	Q1181-V1185 VanDerWaalsContact O-CB 3.31Å; Q1181-V1185 WeakPolarHBondContact O-CB 3.32Å; Q1181-V1185 WeakPolarHBondContact O-CG2 3.41Å; Q1181-V1185 PolarHBondContact O-N 3.43Å; Y1182-V1185 PolarHBondContact O-N 3.32Å
1186	A	42	Very low	42	Very low	53 Å²	53	112 Å²	112	44%	0.438	59%	0.593	S	S	.	*	H	α-helix	trans	-70.7	-50.9	170.2	0	0	0	0	0	111.6	Y1182 A1183 D1184 A1188 R1189	Y1182-A1186 PolarHBondContact O-N 3.03Å; A1183-A1186 WeakPolarHBondContact O-CB 3.5Å; A1183-A1186 PolarHBondContact O-N 3.45Å; D1184-A1186 VanDerWaalsContact C-N 3.35Å; A1186-A1188 VanDerWaalsContact C-N 3.25Å; A1186-A1188 PolarHBondContact O-N 3.32Å; A1186-R1189 WeakPolarHBondContact O-CB 3.49Å; A1186-R1189 PolarHBondContact O-N 3.23Å
1187	A	41.5	Very low	41.3	Very low	55 Å²	55	112.1 Å²	112.1	46%	0.455	60%	0.602	S	S	.	*	H	α-helix	trans	-61.4	-31.6	177.6	0	0	0	0	0	112.9	A1183 D1184 R1189 S1191	A1183-A1187 WeakPolarHBondContact O-CB 3.32Å; A1183-A1187 PolarHBondContact O-N 2.88Å; D1184-A1187 PolarHBondContact O-N 3.28Å; A1187-R1189 VanDerWaalsContact C-N 3.26Å; A1187-R1189 PolarHBondContact O-N 3.43Å; A1187-S1191 WeakPolarHBondContact O-CB 3.28Å; A1187-S1191 PolarHBondContact O-OG 2.93Å
1188	A	40.9	Very low	40.4	Very low	55 Å²	55	115.1 Å²	115.1	46%	0.455	62%	0.617	S	S	.	*	H	α-helix	trans	-71.1	-14.4	173.5	0	0	0	0	0	114.2	D1184 A1186	D1184-A1188 WeakPolarHBondContact O-CB 3.27Å; D1184-A1188 PolarHBondContact O-N 2.94Å; A1186-A1188 VanDerWaalsContact C-N 3.25Å; A1186-A1188 PolarHBondContact O-N 3.32Å
1189	R	35.9	Very low	39.7	Very low	218 Å²	218	115.2 Å²	115.2	82%	0.823	63%	0.63	S	S	*	*	H	α-helix	trans	-85.6	-31.2	174.4	-82.5	178.3	161.4	179.3	-2.8	113.5	A1186 A1187	A1186-R1189 WeakPolarHBondContact O-CB 3.49Å; A1186-R1189 PolarHBondContact O-N 3.23Å; A1187-R1189 VanDerWaalsContact C-N 3.26Å; A1187-R1189 PolarHBondContact O-N 3.43Å
1190	E	34.8	Very low	39.2	Very low	180 Å²	180	114.3 Å²	114.3	84%	0.841	64%	0.64	S	S	*	*	H	α-helix	trans	-88.3	-12.3	-175.8	-62.9	-177.5	159.4	0	0	113.5
1191	S	32.7	Very low	38.3	Very low	83 Å²	83	112.8 Å²	112.8	58%	0.58	65%	0.647	S	S	*	*	S	Bend	trans	-101.1	18.3	-166.7	49.4	0	0	0	0	115.9	A1187	A1187-S1191 WeakPolarHBondContact O-CB 3.28Å; A1187-S1191 PolarHBondContact O-OG 2.93Å
1192	R	30	Very low	37.6	Very low	215 Å²	215	114.3 Å²	114.3	81%	0.811	66%	0.659	S	S	*	*			trans	-137.1	69.8	-173.4	-66.8	-169.1	176.7	-167.1	0.6	116.1
1193	Q	32.3	Very low	37.3	Very low	199 Å²	199	112.7 Å²	112.7	93%	0.93	67%	0.668	S	S	*	*			trans	-136.7	103	161.3	-64.4	-165.9	26.4	0	0	112.6
1194	S	32.6	Very low	36.7	Very low	109 Å²	109	113.2 Å²	113.2	76%	0.762	68%	0.68	S	S	*	*			trans	-161.7	155.7	159.4	48.5	0	0	0	0	111
1195	S	33.1	Very low	36.4	Very low	81 Å²	81	114.4 Å²	114.4	57%	0.566	69%	0.693	S	S	*	*			trans	-99.2	-169.4	-162.4	-36.3	0	0	0	0	113.2
1196	P	34.7	Very low	36	Very low	55 Å²	55	116.3 Å²	116.3	36%	0.357	71%	0.707	S	S	.	*			cis	-151.7	178.7	0.1	45.1	-23.6	0	0	0	119.9	S1357 T1358	P1196-S1357 VanDerWaalsContact CB-OG 3.29Å; P1196-S1357 WeakPolarHBondContact CB-OG 3.29Å; P1196-T1358 HydrophobicContact CG-CG2 4.25Å; P1196-T1358 WeakPolarHBondContact CG-OG1 3.46Å
1197	S	31.4	Very low	35.8	Very low	96 Å²	96	117.1 Å²	117.1	67%	0.671	72%	0.72	S	S	*	*				59.5	150.4	129.9	74.7	0	0	0	0	130.3
1198	V	34.3	Very low	35.5	Very low	128 Å²	128	123 Å²	123	78%	0.776	74%	0.739	S	S	*	*			trans	84.1	134.1	151.8	-122.7	0	0	0	0	126
1199	S	34.4	Very low	35.2	Very low	114 Å²	114	126.6 Å²	126.6	80%	0.797	75%	0.749	S	S	*	*			trans	75.3	145	154.2	-59.6	0	0	0	0	120.8
1200	A	35	Very low	35.1	Very low	98 Å²	98	123.6 Å²	123.6	81%	0.81	75%	0.746	S	S	*	*			cis	-176.8	171.7	-20.1	0	0	0	0	0	109.4
1201	A	33.9	Very low	35	Very low	84 Å²	84	121.1 Å²	121.1	69%	0.694	74%	0.739	S	S	*	*			cis	-169.7	147.9	-46.7	0	0	0	0	0	112.4
1202	L	36.1	Very low	35	Very low	167 Å²	167	123.9 Å²	123.9	87%	0.874	75%	0.747	S	S	*	*			trans	68.8	163.6	158.2	-64.8	164.2	0	0	0	120.8
1203	P	39.6	Very low	35.1	Very low	130 Å²	130	117.8 Å²	117.8	84%	0.844	74%	0.737	S	S	*	*			cis	-112.8	-162.9	-10.2	20	4.6	0	0	0	112.4
1204	G	36.3	Very low	35.1	Very low	69 Å²	69	114 Å²	114	71%	0.711	73%	0.728	S	S	*	*			cis	-171.3	-176.6	2.4	0	0	0	0	0	114.7
1205	P	41.3	Very low	35.1	Very low	126 Å²	126	116.2 Å²	116.2	82%	0.818	73%	0.73	S	S	*	*			trans	-122.4	-155.8	-168	45.2	-30.6	0	0	0	113.4
1206	P	43.6	Very low	35.5	Very low	128 Å²	128	118.5 Å²	118.5	83%	0.831	74%	0.743	S	S	*	*			cis	-142.3	-176.5	-2.5	44	-24.4	0	0	0	118.9
1207	G	37.8	Very low	35.5	Very low	70 Å²	70	119.4 Å²	119.4	72%	0.722	76%	0.762	S	S	*	*			trans	110.4	174.4	157.9	0	0	0	0	0	117.4
1208	Q	35.4	Very low	35.6	Very low	179 Å²	179	122.1 Å²	122.1	84%	0.836	78%	0.775	S	S	*	*			cis	-174.9	165.2	-27.4	-90.3	-163.8	-10.2	0	0	106.3
1209	L	33.5	Very low	35.5	Very low	130 Å²	130	120.3 Å²	120.3	68%	0.681	77%	0.773	S	S	*	*			cis	-167.4	177.7	-25.1	-81.5	169.3	0	0	0	104.8
1210	M	35.2	Very low	35.5	Very low	154 Å²	154	123.5 Å²	123.5	76%	0.759	78%	0.78	S	S	*	*			cis	-174.6	-176.9	-7.6	-111	170.1	163.2	0	0	105.9
1211	D	32.4	Very low	35.4	Very low	128 Å²	128	121.8 Å²	121.8	68%	0.684	77%	0.773	S	S	*	*			cis	-175	166	-40.3	-108.6	66.3	0	0	0	106.8
1212	N	32.8	Very low	35.4	Very low	142 Å²	142	123.5 Å²	123.5	76%	0.759	77%	0.774	S	S	*	*			cis	-164	-171.8	-18.7	-139.7	-52.6	0	0	0	106.6
1213	S	32.2	Very low	35.2	Very low	86 Å²	86	123.9 Å²	123.9	60%	0.601	77%	0.772	S	S	*	*			cis	-165.9	-175	-1.1	62.6	0	0	0	0	112.4
1214	T	31.8	Very low	35.3	Very low	120 Å²	120	123 Å²	123	74%	0.736	77%	0.766	S	S	*	*			trans	68.8	146.5	161.6	24.3	0	0	0	0	119.7
1215	I	32.7	Very low	35.1	Very low	155 Å²	155	125.3 Å²	125.3	80%	0.795	77%	0.77	S	S	*	*			cis	71.3	154.6	-1.3	70.1	157.3	0	0	0	120.1
1216	P	40.4	Very low	34.6	Very low	130 Å²	130	127.9 Å²	127.9	84%	0.844	78%	0.776	S	S	*	*			cis	-147.6	-168.9	15	42	-18.7	0	0	0	121
1217	G	34.8	Very low	34	Very low	73 Å²	73	125.6 Å²	125.6	75%	0.753	78%	0.776	S	S	*	*			trans	-173.8	174.4	174.8	0	0	0	0	0	119.6
1218	T	33.5	Very low	34.1	Very low	153 Å²	153	126 Å²	126	94%	0.939	78%	0.779	S	S	*	*			trans	-160.4	177.1	-166.5	42.5	0	0	0	0	113.9
1219	A	33.4	Very low	33.9	Very low	90 Å²	90	126.7 Å²	126.7	74%	0.744	78%	0.782	S	S	*	*			cis	-174.3	-171.5	-19.8	0	0	0	0	0	108.6
1220	L	33.3	Very low	33.8	Very low	181 Å²	181	125.4 Å²	125.4	95%	0.948	78%	0.783	S	S	*	*			cis	-170.3	170.2	-6.7	-129.3	174.3	0	0	0	112.5
1221	G	33.4	Very low	33.8	Very low	63 Å²	63	124.8 Å²	124.8	65%	0.649	78%	0.782	S	S	*	*			trans	115.3	166.8	162.9	0	0	0	0	0	119.7
1222	T	33.3	Very low	33.7	Very low	119 Å²	119	125.7 Å²	125.7	73%	0.73	79%	0.787	S	S	*	*			cis	-169.3	165.8	-20.1	-46	0	0	0	0	112
1223	E	32.9	Very low	33.7	Very low	176 Å²	176	124.9 Å²	124.9	82%	0.822	79%	0.793	S	S	*	*			trans	-141.9	0	-176.1	-59.7	-75.2	-174.4	0	0	112.8
1224	P	41.6	Very low	33.7	Very low	112 Å²	112	125.6 Å²	125.6	73%	0.727	80%	0.798	S	S	*	*				0	-163.4	0	37.2	-11.6	0	0	0	118.5
1225	C	31.7	Very low	33.5	Very low	116 Å²	116	127 Å²	127	78%	0.784	80%	0.799	S	S	*	*			trans	117.2	131.3	141.4	-80.9	0	0	0	0	128.7
1226	L	30.7	Very low	33.4	Very low	181 Å²	181	126.3 Å²	126.3	95%	0.948	80%	0.797	S	S	*	*			trans	73.4	162.2	155.5	-63.6	172.5	0	0	0	122.7
1227	G	31.4	Very low	32.9	Very low	80 Å²	80	125.9 Å²	125.9	83%	0.825	79%	0.791	S	S	*	*			cis	169.6	159.8	-9.3	0	0	0	0	0	116
1228	G	38.9	Very low	32.6	Very low	78 Å²	78	128.4 Å²	128.4	80%	0.804	79%	0.792	S	S	*	*			trans	170.6	165.9	176.3	0	0	0	0	0	119.2
1229	H	31.8	Very low	32.5	Very low	193 Å²	193	125 Å²	125	89%	0.894	79%	0.788	S	S	*	*			trans	-153.3	174.9	-164.1	-117.8	-83.5	0	0	0	120.3
1230	C	32.3	Very low	32.3	Very low	104 Å²	104	129.8 Å²	129.8	70%	0.703	80%	0.795	S	S	*	*			trans	102.4	157.2	157.8	-63.6	0	0	0	0	120.5
1231	L	34.5	Very low	32.4	Very low	141 Å²	141	125.9 Å²	125.9	74%	0.738	78%	0.78	S	S	*	*			cis	-171.5	141.8	-17.8	-103.3	170	0	0	0	115
1232	N	30.5	Very low	32.1	Very low	147 Å²	147	128.4 Å²	128.4	79%	0.786	79%	0.788	S	S	*	*			trans	53.9	160.9	152.9	-64.6	-3.1	0	0	0	123.3
1233	S	33.2	Very low	31.9	Very low	125 Å²	125	126.9 Å²	126.9	87%	0.874	80%	0.796	S	S	*	*			cis	-151.2	-169.7	19.6	-161	0	0	0	0	115.2
1234	S	30.8	Very low	31.6	Very low	101 Å²	101	122.6 Å²	122.6	71%	0.706	80%	0.799	S	S	*	*			trans	-135.7	-178	-150.9	-168.4	0	0	0	0	119.8
1235	L	29.1	Very low	31.1	Very low	148 Å²	148	128.6 Å²	128.6	78%	0.775	81%	0.807	S	S	*	*			trans	105.4	158.9	157	-57.4	174	0	0	0	120.5
1236	L	30.9	Very low	31.1	Very low	141 Å²	141	131 Å²	131	74%	0.738	81%	0.807	S	S	*	*				-172.6	179.3	-59.2	-122.6	175	0	0	0	109.7
1237	V	28.6	Very low	31.5	Very low	121 Å²	121	126.7 Å²	126.7	73%	0.733	79%	0.789	S	S	*	*			trans	78	129.1	174.7	-174.5	0	0	0	0	115.8
1238	T	29.9	Very low	31.5	Very low	126 Å²	126	128.8 Å²	128.8	77%	0.773	79%	0.786	S	S	*	*			cis	99.1	127.7	5.3	77.5	0	0	0	0	120
1239	G	30.8	Very low	31.2	Very low	82 Å²	82	132.6 Å²	132.6	85%	0.845	79%	0.787	S	S	*	*			trans	-174.4	159.6	172.4	0	0	0	0	0	114
1240	Q	28.4	Very low	31.2	Very low	190 Å²	190	130 Å²	130	89%	0.888	78%	0.779	S	S	*	*			trans	-144.2	-179.7	-170.1	-118.3	-168.1	-13.9	0	0	110.1
1241	P	36	Very low	31.2	Very low	99 Å²	99	131.5 Å²	131.5	64%	0.643	78%	0.78	S	S	*	*			cis	-134.6	-173.6	-25	35.9	-16.6	0	0	0	114.3
1242	S	27.8	Very low	31.1	Very low	117 Å²	117	136.1 Å²	136.1	82%	0.818	79%	0.788	S	S	*	*			trans	111.1	118.1	148.4	-45.1	0	0	0	0	120.2
1243	G	28.7	Very low	31.2	Very low	87 Å²	87	132.4 Å²	132.4	90%	0.897	78%	0.784	S	S	*	*			trans	78.3	118.6	137.2	0	0	0	0	0	121.3
1244	G	26.5	Very low	31.2	Very low	85 Å²	85	136 Å²	136	88%	0.876	79%	0.786	S	S	*	*			trans	129.3	133.7	152.9	0	0	0	0	0	117.4
1245	R	30.6	Very low	31.3	Very low	238 Å²	238	140.1 Å²	140.1	90%	0.898	79%	0.791	S	S	*	*			trans	-60.1	136.6	-176.4	-65.8	166.2	163.5	178	-8.4	116.5
1246	H	32	Very low	31.5	Very low	168 Å²	168	144.9 Å²	144.9	78%	0.778	80%	0.799	S	S	*	*			trans	60.8	165.8	138.8	-78	-92.7	0	0	0	119.1
1247	P	38.6	Very low	31.7	Very low	89 Å²	89	146.4 Å²	146.4	58%	0.578	80%	0.8	S	S	*	*				-137.8	174.7	-83.6	38.3	-16.6	0	0	0	116.5
1248	V	32.3	Very low	32	Very low	125 Å²	125	147.7 Å²	147.7	76%	0.758	80%	0.802	S	S	*	*			trans	58.5	113.9	162.5	-144	0	0	0	0	119.8
1249	L	32.8	Very low	32.1	Very low	158 Å²	158	145.1 Å²	145.1	83%	0.827	79%	0.793	S	S	*	*				172.8	122.3	111.6	-91.4	170.6	0	0	0	114.5
1250	D	31.6	Very low	32.2	Very low	137 Å²	137	147.7 Å²	147.7	73%	0.733	79%	0.793	S	S	*	*			trans	45.3	150.2	145.7	-120.7	-13.5	0	0	0	129.1
1251	L	32.5	Very low	33	Very low	137 Å²	137	144 Å²	144	72%	0.717	79%	0.785	S	S	*	*			trans	58.8	135.4	150.4	-80.7	156.6	0	0	0	125.7
1252	R	31.2	Very low	33	Very low	238 Å²	238	144.1 Å²	144.1	90%	0.898	79%	0.788	S	S	*	*			trans	64.4	106.4	152.5	-72	-177.9	173.4	-180	0.8	122.5
1253	G	32.7	Very low	33.5	Very low	68 Å²	68	143.9 Å²	143.9	70%	0.701	78%	0.782	S	S	*	*				98.6	108.4	98.5	0	0	0	0	0	123.1
1254	H	32.9	Very low	33.8	Very low	202 Å²	202	145.4 Å²	145.4	94%	0.935	77%	0.774	S	S	*	*			trans	80.4	159.6	148.2	-64.7	-71.3	0	0	0	123.2
1255	K	32.6	Very low	34.2	Very low	186 Å²	186	148.6 Å²	148.6	81%	0.809	77%	0.766	S	S	*	*			trans	-99.5	145.8	-160.4	-63.3	177.8	173.4	-179.6	0	116.1
1256	R	35.1	Very low	34.3	Very low	248 Å²	248	144.6 Å²	144.6	94%	0.936	76%	0.757	S	S	*	*			trans	-165.2	171.9	147.1	-81.4	114.8	-155.7	-125.8	2.4	110.5
1257	K	33.3	Very low	34.2	Very low	174 Å²	174	140.9 Å²	140.9	76%	0.757	75%	0.75	S	S	*	*				-171.7	143.8	-52.2	-163.8	-169.3	168.5	-172.5	0	110.2
1258	L	34.6	Very low	33.8	Very low	147 Å²	147	142.2 Å²	142.2	77%	0.77	76%	0.757	S	S	*	*			trans	72.2	166.9	169.4	-62.3	125.4	0	0	0	118.5
1259	A	33.4	Very low	33.5	Very low	72 Å²	72	147 Å²	147	60%	0.595	76%	0.761	S	S	*	*			cis	-179.1	129.3	-48.2	0	0	0	0	0	114.1
1260	T	33.6	Very low	33.2	Very low	137 Å²	137	150.5 Å²	150.5	84%	0.84	76%	0.763	S	S	*	*			trans	57.1	164.9	149.2	39.3	0	0	0	0	121.6
1261	P	44.8	Very low	33	Very low	111 Å²	111	155.3 Å²	155.3	72%	0.721	77%	0.771	S	S	*	*			cis	-101	-146.7	2.2	21.7	2	0	0	0	111.5
1262	S	36.4	Very low	32.8	Very low	102 Å²	102	153.3 Å²	153.3	71%	0.713	77%	0.769	S	S	*	*			cis	-163.6	170.5	8.3	-23.1	0	0	0	0	109.5
1263	V	37.2	Very low	32.7	Very low	112 Å²	112	152.5 Å²	152.5	68%	0.679	77%	0.766	S	S	*	*			cis	-171.1	148.4	-27.6	133.7	0	0	0	0	107.7
1264	T	35.4	Very low	32.6	Very low	119 Å²	119	158.9 Å²	158.9	73%	0.73	77%	0.774	S	S	*	*			trans	58.6	142.7	173.4	43.5	0	0	0	0	119.2
1265	Q	35	Very low	32.5	Very low	152 Å²	152	153 Å²	153	71%	0.71	77%	0.768	S	S	*	*			cis	-161.1	152.7	-19.6	-133.6	-179.5	-41.3	0	0	110.8
1266	E	32.1	Very low	32.4	Very low	154 Å²	154	152.4 Å²	152.4	72%	0.72	77%	0.768	S	S	*	*			trans	15.5	155	135	-66	-171.4	100.3	0	0	122.4
1267	S	29.9	Very low	32.4	Very low	90 Å²	90	146.7 Å²	146.7	63%	0.629	76%	0.755	S	S	*	*			cis	-175.5	161.3	-6	-103.3	0	0	0	0	112.7
1268	V	30	Very low	32.9	Very low	117 Å²	117	144.7 Å²	144.7	71%	0.709	76%	0.76	S	S	*	*			trans	69.6	111.9	142.3	169.6	0	0	0	0	122.2
1269	R	26.5	Very low	32.9	Very low	227 Å²	227	141.6 Å²	141.6	86%	0.857	76%	0.756	S	S	*	*			trans	60.2	135.8	139.3	-68.2	177.7	176.1	168.8	-2.8	123.6
1270	R	27.1	Very low	33.4	Very low	231 Å²	231	143.8 Å²	143.8	87%	0.872	76%	0.764	S	S	*	*			trans	79	127.4	143.9	-82.1	-178.5	170.6	-178.2	-1.9	120.9
1271	R	27.1	Very low	33.9	Very low	238 Å²	238	144 Å²	144	90%	0.898	76%	0.764	S	S	*	*			trans	65	120.9	143.9	-86.2	-172.1	170.7	-173.8	-2.6	120.3
1272	S	27.6	Very low	33.2	Very low	95 Å²	95	147.1 Å²	147.1	66%	0.664	77%	0.77	S	S	*	*				85.5	114	121.1	176.4	0	0	0	0	121.4
1273	R	30.2	Very low	33.4	Very low	221 Å²	221	146.2 Å²	146.2	83%	0.834	76%	0.761	S	S	*	*			trans	88.2	134.5	135.1	-85	177.9	168.9	-179.4	-2.6	122
1274	K	29.7	Very low	33.3	Very low	201 Å²	201	150.6 Å²	150.6	87%	0.874	77%	0.767	S	S	*	*			trans	89.3	129.9	137.3	-84.8	-174.4	171.3	-164.5	0	120.4
1275	G	30.4	Very low	33.2	Very low	79 Å²	79	151.8 Å²	151.8	81%	0.814	76%	0.764	S	S	*	*			trans	-173.8	84.9	156.6	0	0	0	0	0	110.6
1276	H	32	Very low	33.1	Very low	173 Å²	173	152.7 Å²	152.7	80%	0.801	77%	0.768	S	S	*	*			trans	-166	158.5	178.7	-157.8	29.5	0	0	0	113.1
1277	L	34.2	Very low	33	Very low	129 Å²	129	148.8 Å²	148.8	68%	0.675	77%	0.769	S	S	*	*			trans	71.3	150.2	173.4	-51.6	179.4	0	0	0	115.9
1278	P	44.5	Very low	33	Very low	131 Å²	131	155.9 Å²	155.9	85%	0.851	78%	0.783	S	S	*	*				-103.6	-180	62	-9.7	30	0	0	0	117.4
1279	A	33.3	Very low	33.4	Very low	83 Å²	83	155.7 Å²	155.7	69%	0.686	79%	0.785	S	S	*	*			trans	-121.6	-149.9	175	0	0	0	0	0	109.4
1280	P	45.4	Very low	33.5	Very low	118 Å²	118	151.3 Å²	151.3	77%	0.766	78%	0.783	S	S	*	*			cis	-146.8	-161.8	20.4	39.1	-13.4	0	0	0	117.6
1281	V	42.3	Very low	33.8	Very low	140 Å²	140	146.3 Å²	146.3	85%	0.848	78%	0.784	S	S	*	*			trans	111.5	147.7	160.5	-169.7	0	0	0	0	116.7
1282	Q	32	Very low	33.8	Very low	178 Å²	178	138.4 Å²	138.4	83%	0.832	78%	0.776	S	S	*	*			trans	-143.8	-167.1	-158.4	-118.2	-173	-11.7	0	0	109
1283	P	40.3	Very low	34	Very low	82 Å²	82	137.1 Å²	137.1	53%	0.532	78%	0.778	S	S	.	*			cis	-139.1	-170.7	6.6	23.3	5.4	0	0	0	116.9
1284	Y	33.8	Very low	34	Very low	205 Å²	205	136.6 Å²	136.6	80%	0.804	78%	0.782	S	S	*	*			trans	74.5	146.4	160.3	-55.5	-51.3	0	0	0	118.6
1285	E	33.1	Very low	34.2	Very low	143 Å²	143	131.1 Å²	131.1	67%	0.668	77%	0.774	S	S	*	*			cis	-161.4	157.2	-2.3	-125.5	-176	-158.8	0	0	114.1
1286	H	34.4	Very low	34.2	Very low	172 Å²	172	135.9 Å²	135.9	80%	0.796	78%	0.777	S	S	*	*			trans	55.1	163.3	162.5	-64.8	94.8	0	0	0	119.9
1287	G	30.2	Very low	34.6	Very low	71 Å²	71	132.3 Å²	132.3	73%	0.732	77%	0.769	S	S	*	*			cis	166	130.5	-12.6	0	0	0	0	0	114
1288	Y	28.4	Very low	34.9	Very low	239 Å²	239	131.7 Å²	131.7	94%	0.937	77%	0.773	S	S	*	*			trans	-79.8	173.6	165.4	-73.4	-94	0	0	0	110.5
1289	P	37.9	Very low	34.1	Very low	114 Å²	114	131.4 Å²	131.4	74%	0.74	77%	0.769	S	S	*	*			cis	-145.7	-173.7	15.4	45.5	-25	0	0	0	118.3
1290	V	29.2	Very low	33.9	Very low	134 Å²	134	132.3 Å²	132.3	81%	0.812	77%	0.77	S	S	*	*			trans	16.7	121	149.5	-178.8	0	0	0	0	121.4
1291	S	34	Very low	33.2	Very low	127 Å²	127	133.4 Å²	133.4	89%	0.888	77%	0.769	S	S	*	*			trans	-174.2	160.7	145	-81.4	0	0	0	0	111
1292	G	27.9	Very low	32.6	Very low	72 Å²	72	132.4 Å²	132.4	74%	0.742	76%	0.759	S	S	*	*			cis	160	50.3	-6.9	0	0	0	0	0	119.9
1293	G	29.9	Very low	32.6	Very low	68 Å²	68	131.4 Å²	131.4	70%	0.701	75%	0.754	S	S	*	*			trans	99.7	168.1	149.2	0	0	0	0	0	121.8
1294	F	31.9	Very low	32	Very low	209 Å²	209	134 Å²	134	92%	0.917	76%	0.763	S	S	*	*			trans	71.3	139.9	165.8	-54.3	-75.7	0	0	0	118.8
1295	A	32.5	Very low	31.9	Very low	86 Å²	86	131.5 Å²	131.5	71%	0.711	76%	0.763	S	S	*	*			cis	-160.7	147.6	-11.2	0	0	0	0	0	114.1
1296	M	31.2	Very low	31.9	Very low	180 Å²	180	131 Å²	131	89%	0.887	77%	0.77	S	S	*	*			trans	33.1	151.7	144.9	-61.8	-57.8	-79.9	0	0	124.6
1297	P	41.2	Very low	31.6	Very low	97 Å²	97	129 Å²	129	63%	0.63	77%	0.769	S	S	*	*			trans	-99.2	-171.3	-170.8	43.8	-38	0	0	0	113.9
1298	P	39.5	Very low	32.1	Very low	116 Å²	116	130.2 Å²	130.2	75%	0.753	77%	0.765	S	S	*	*				-151.4	144.5	90.8	39.6	-21.4	0	0	0	118.4
1299	V	28.7	Very low	32.2	Very low	125 Å²	125	127.4 Å²	127.4	76%	0.758	76%	0.758	S	S	*	*				38.3	129.9	121	-172.3	0	0	0	0	121.5
1300	S	27.4	Very low	31.9	Very low	103 Å²	103	127.5 Å²	127.5	72%	0.72	76%	0.757	S	S	*	*			trans	103.1	142.4	140.6	-97.2	0	0	0	0	124.1
1301	L	32.5	Very low	32	Very low	140 Å²	140	126.2 Å²	126.2	73%	0.733	75%	0.753	S	S	*	*			trans	80.8	102.9	150.3	-69.4	163.3	0	0	0	121.3
1302	N	28.4	Very low	32	Very low	119 Å²	119	129.1 Å²	129.1	64%	0.636	75%	0.753	S	S	*	*				25	128.3	124.6	-46.2	3.8	0	0	0	119.1
1303	H	31.9	Very low	32.4	Very low	158 Å²	158	130.7 Å²	130.7	73%	0.731	76%	0.759	S	S	*	*				177.1	133	87.2	-93.7	-69.1	0	0	0	113.1
1304	N	28	Very low	32.5	Very low	137 Å²	137	130.8 Å²	130.8	73%	0.733	76%	0.76	S	S	*	*			trans	24.7	143	139.5	-76.2	27.1	0	0	0	123.5
1305	L	31.2	Very low	32.7	Very low	152 Å²	152	128.9 Å²	128.9	80%	0.796	75%	0.754	S	S	*	*			trans	91.1	151.4	141.6	-75.7	159.3	0	0	0	121.3
1306	T	33.8	Very low	32.8	Very low	133 Å²	133	130.9 Å²	130.9	82%	0.816	75%	0.753	S	S	*	*			trans	72.6	106.5	162.5	40.8	0	0	0	0	120.4
1307	T	28.6	Very low	32.9	Very low	128 Å²	128	127.3 Å²	127.3	79%	0.785	75%	0.745	S	S	*	*			trans	-68.3	-165.7	142.5	59.2	0	0	0	0	109.7
1308	P	40.5	Very low	32.6	Very low	98 Å²	98	128.8 Å²	128.8	64%	0.636	75%	0.747	S	S	*	*			cis	-136.9	-156.4	-2.8	22.2	6.9	0	0	0	113.8
1309	F	31.3	Very low	32.3	Very low	180 Å²	180	131.8 Å²	131.8	79%	0.789	75%	0.749	S	S	*	*			trans	70.5	112.5	170.1	-68.4	-97.9	0	0	0	116.6
1310	T	30.2	Very low	32.6	Very low	116 Å²	116	134.4 Å²	134.4	71%	0.712	76%	0.755	S	S	*	*			cis	96.9	163.6	43	62.9	0	0	0	0	114.3
1311	S	32.1	Very low	32.8	Very low	107 Å²	107	132.7 Å²	132.7	75%	0.748	75%	0.754	S	S	*	*			trans	84.8	145.8	174.6	87.1	0	0	0	0	115.6
1312	Q	33.2	Very low	32.8	Very low	188 Å²	188	131.7 Å²	131.7	88%	0.879	76%	0.759	S	S	*	*			cis	-162.3	176.6	-7.7	-128.1	178.1	18.6	0	0	112.9
1313	A	35.8	Very low	32.7	Very low	104 Å²	104	133.3 Å²	133.3	86%	0.86	77%	0.767	S	S	*	*			trans	68.2	150.5	173.9	0	0	0	0	0	116.4
1314	G	33.9	Very low	32.9	Very low	71 Å²	71	131.5 Å²	131.5	73%	0.732	77%	0.769	S	S	*	*			cis	168.8	160.1	-1.7	0	0	0	0	0	108.6
1315	E	36.1	Very low	33	Very low	169 Å²	169	129.9 Å²	129.9	79%	0.79	77%	0.769	S	S	*	*			cis	-154.7	152	9.5	-69.9	-171.9	83.2	0	0	112.3
1316	N	33.9	Very low	32.9	Very low	128 Å²	128	131.7 Å²	131.7	68%	0.684	77%	0.766	S	S	*	*			trans	32.1	123.5	139.5	-48	-38.1	0	0	0	119.9
1317	S	33.7	Very low	32.8	Very low	104 Å²	104	134.1 Å²	134.1	73%	0.727	76%	0.762	S	S	*	*				169.8	157.5	79.8	-70.1	0	0	0	0	111.2
1318	L	34.2	Very low	33	Very low	128 Å²	128	136.2 Å²	136.2	67%	0.67	76%	0.763	S	S	*	*			cis	-168.5	149.1	-13.3	-105.2	177.6	0	0	0	110.7
1319	F	33.9	Very low	32.5	Very low	180 Å²	180	138.1 Å²	138.1	79%	0.789	77%	0.767	S	S	*	*			trans	63.3	149.4	157.1	-68	-52.3	0	0	0	119.9
1320	M	34.5	Very low	32.3	Very low	179 Å²	179	134 Å²	134	88%	0.882	76%	0.76	S	S	*	*			cis	-153.3	136.7	7.2	-152.5	167.9	164.4	0	0	114.1
1321	G	32.2	Very low	32.4	Very low	68 Å²	68	135.4 Å²	135.4	70%	0.701	76%	0.763	S	S	*	*			trans	95.2	147.8	151.5	0	0	0	0	0	119.2
1322	S	31.6	Very low	32.3	Very low	119 Å²	119	137.6 Å²	137.6	83%	0.832	77%	0.766	S	S	*	*				-169.4	139.1	-90.8	54.5	0	0	0	0	114.2
1323	N	27	Very low	32.2	Very low	153 Å²	153	136.5 Å²	136.5	82%	0.818	77%	0.765	S	S	*	*			trans	-52.8	171	166.3	-95.8	1.2	0	0	0	114.4
1324	P	35.6	Very low	32	Very low	120 Å²	120	135.7 Å²	135.7	78%	0.779	76%	0.758	S	S	*	*			cis	-150.9	-174.1	41.6	43.8	-21.6	0	0	0	119.6
1325	S	30.8	Very low	31.6	Very low	102 Å²	102	140.1 Å²	140.1	71%	0.713	77%	0.765	S	S	*	*			trans	-79.4	166.9	177.6	37.2	0	0	0	0	115.5
1326	Y	28.1	Very low	31.3	Very low	190 Å²	190	135 Å²	135	75%	0.745	75%	0.751	S	S	*	*			trans	179.5	156.8	134.9	-120.2	-82.6	0	0	0	115.6
1327	Y	31.1	Very low	31	Very low	184 Å²	184	139.8 Å²	139.8	72%	0.722	76%	0.76	S	S	*	*			trans	71.5	155.3	169.1	-49.7	-64.9	0	0	0	117.3
1328	Q	33.1	Very low	30.9	Very low	172 Å²	172	142.3 Å²	142.3	80%	0.804	77%	0.765	S	S	*	*			cis	-147	161.2	12.4	-153.6	164.9	-74.7	0	0	115.7
1329	L	29.3	Very low	30.9	Very low	139 Å²	139	141.7 Å²	141.7	73%	0.728	77%	0.766	S	S	*	*			trans	-49.6	176.3	175.4	-70.3	84.7	0	0	0	117.5
1330	S	27.8	Very low	30.7	Very low	92 Å²	92	141.7 Å²	141.7	64%	0.643	77%	0.766	S	S	*	*			cis	169.9	153.8	-25.8	-74.7	0	0	0	0	108.4
1331	N	32.1	Very low	30.8	Very low	146 Å²	146	138.3 Å²	138.3	78%	0.781	76%	0.758	S	S	*	*			trans	164.6	123.9	146.7	-86.7	-16.8	0	0	0	110.1
1332	L	30.5	Very low	30.7	Very low	153 Å²	153	140.1 Å²	140.1	80%	0.801	76%	0.755	S	S	*	*				79.3	87.7	72	-81.6	177.8	0	0	0	115.7
1333	L	30.2	Very low	30.7	Very low	165 Å²	165	140 Å²	140	86%	0.864	75%	0.749	S	S	*	*				-160.9	128.8	125.7	-115.1	96.2	0	0	0	105.2
1334	A	31.7	Very low	31	Very low	87 Å²	87	137.8 Å²	137.8	72%	0.719	74%	0.741	S	S	*	*				75	105.3	59	0	0	0	0	0	113.7
1335	D	26.6	Very low	30.7	Very low	165 Å²	165	138.7 Å²	138.7	88%	0.882	74%	0.739	S	S	*	*			trans	-38.5	167.1	167.5	177.2	35.7	0	0	0	116.9
1336	A	28.7	Very low	31	Very low	60 Å²	60	138.8 Å²	138.8	50%	0.496	74%	0.738	S	S	.	*			trans	101.3	94.6	161.4	0	0	0	0	0	119.5
1337	R	28	Very low	31.1	Very low	229 Å²	229	134.9 Å²	134.9	86%	0.864	73%	0.729	S	S	*	*			trans	72.6	125.3	138.5	-51.6	160.1	-174.4	159.3	3	118.2
1338	L	32	Very low	31	Very low	158 Å²	158	131.3 Å²	131.3	83%	0.827	73%	0.726	S	S	*	*				-177.2	131.2	94.6	-92.6	167.2	0	0	0	112.6
1339	V	33.9	Very low	31.1	Very low	115 Å²	115	128.1 Å²	128.1	70%	0.697	72%	0.72	S	S	*	*			trans	61.9	100.3	152.5	-177.7	0	0	0	0	116.7
1340	F	30.2	Very low	31.2	Very low	179 Å²	179	126.3 Å²	126.3	79%	0.785	73%	0.725	S	S	*	*				56.7	152.7	74.1	-77.1	-77.4	0	0	0	115.9	V1342	F1340-V1342 HydrophobicContact CD1-CG2 4.08Å; F1340-V1342 HydrophobicContact CE1-CG2 4.35Å
1341	P	35.4	Very low	31.4	Very low	109 Å²	109	125.1 Å²	125.1	71%	0.708	73%	0.728	S	S	*	*			cis	-119.5	156.5	-11.2	25.9	-3.5	0	0	0	112.7
1342	V	31.4	Very low	31.4	Very low	105 Å²	105	124.2 Å²	124.2	64%	0.636	73%	0.73	S	S	*	*				61.3	120.2	61.1	-178.9	0	0	0	0	110.8	F1340	F1340-V1342 HydrophobicContact CD1-CG2 4.08Å; F1340-V1342 HydrophobicContact CE1-CG2 4.35Å
1343	T	32.1	Very low	31.5	Very low	118 Å²	118	124.1 Å²	124.1	72%	0.724	74%	0.736	S	S	*	*				-143.8	139.7	52.6	49	0	0	0	0	112
1344	T	33.2	Very low	31.4	Very low	105 Å²	105	121.6 Å²	121.6	64%	0.644	73%	0.732	S	S	*	*				56.9	102.5	65.7	69.8	0	0	0	0	116
1345	D	28.1	Very low	31.5	Very low	139 Å²	139	122.8 Å²	122.8	74%	0.743	74%	0.735	S	S	*	*				41	163.2	98.1	-61.9	-4.4	0	0	0	120.9
1346	P	37.5	Very low	31.8	Very low	105 Å²	105	120 Å²	120	68%	0.682	73%	0.728	S	S	*	*			cis	-139.6	-168.6	-8.6	29.1	-4.4	0	0	0	116
1347	L	30.6	Very low	32.1	Very low	107 Å²	107	120.2 Å²	120.2	56%	0.56	73%	0.726	S	S	*	*			trans	72	167.8	137.3	-107.6	67.9	0	0	0	123.4	E646	E646-L1347 HydrophobicContact CG-CD2 3.66Å; E646-L1347 HydrophobicContact CG-CG 4.22Å; E646-L1347 WeakPolarHBondContact OE1-CG 3.21Å
1348	V	28.8	Very low	32.3	Very low	109 Å²	109	114.8 Å²	114.8	66%	0.661	72%	0.718	S	S	*	*			trans	61.8	152.2	171.1	-99.6	0	0	0	0	119.3	E646	E646-V1348 WeakPolarHBondContact OE1-CA 3.32Å; E646-V1348 VanDerWaalsContact OE1-CG1 3.3Å; E646-V1348 WeakPolarHBondContact OE1-CG1 3.39Å; E646-V1348 PolarHBondContact OE1-N 3.35Å; E646-V1348 WeakPolarHBondContact OE2-CG1 3.27Å
1349	P	35.5	Very low	32.4	Very low	105 Å²	105	109.8 Å²	109.8	68%	0.682	70%	0.7	S	S	*	*				-141.2	-164.1	-113.7	42.8	-21.8	0	0	0	116.5
1350	A	32.3	Very low	32.4	Very low	101 Å²	101	111.4 Å²	111.4	84%	0.835	71%	0.71	S	S	*	*			trans	75.3	145	153.1	0	0	0	0	0	121.6
1351	G	30	Very low	32.5	Very low	68 Å²	68	108.5 Å²	108.5	70%	0.701	71%	0.712	S	S	*	*			trans	113.7	102.1	151.8	0	0	0	0	0	117.7
1352	P	33.9	Very low	32.5	Very low	127 Å²	127	109.7 Å²	109.7	83%	0.825	72%	0.717	S	S	*	*			trans	-89.8	132.6	177.8	33.3	-32.7	0	0	0	113.9
1353	V	31.1	Very low	32.6	Very low	151 Å²	151	111.3 Å²	111.3	92%	0.915	73%	0.728	S	S	*	*			trans	-151	156.6	166.5	-89.6	0	0	0	0	112.2
1354	S	29.6	Very low	32.5	Very low	111 Å²	111	110.8 Å²	110.8	78%	0.776	74%	0.735	S	S	*	*			trans	-98.4	152.3	-160.2	-41.1	0	0	0	0	117.3
1355	S	33.1	Very low	32.6	Very low	113 Å²	113	111.3 Å²	111.3	79%	0.79	74%	0.743	S	S	*	*			trans	85.5	153.1	136.9	80.3	0	0	0	0	122.9
1356	S	32	Very low	32.7	Very low	106 Å²	106	112.3 Å²	112.3	74%	0.741	75%	0.749	S	S	*	*			trans	92	89.9	159	74.5	0	0	0	0	121.9
1357	S	35	Very low	32.7	Very low	64 Å²	64	113 Å²	113	45%	0.448	75%	0.753	S	S	.	*				27.9	139.7	124.5	63	0	0	0	0	123.5	P1196	P1196-S1357 VanDerWaalsContact CB-OG 3.29Å; P1196-S1357 WeakPolarHBondContact CB-OG 3.29Å
1358	T	33.9	Very low	32.9	Very low	115 Å²	115	113.6 Å²	113.6	71%	0.706	77%	0.766	S	S	*	*			trans	-166.8	156.8	130.1	-69.2	0	0	0	0	111.8	P1196	P1196-T1358 HydrophobicContact CG-CG2 4.25Å; P1196-T1358 WeakPolarHBondContact CG-OG1 3.46Å
1359	A	34.1	Very low	33	Very low	53 Å²	53	117.2 Å²	117.2	44%	0.438	77%	0.773	S	S	.	*			trans	-129.8	168.4	-177.8	0	0	0	0	0	113.8
1360	T	32.6	Very low	32.9	Very low	150 Å²	150	118.5 Å²	118.5	92%	0.92	77%	0.771	S	S	*	*			trans	-146.3	160.9	173.8	32.7	0	0	0	0	111.8
1361	S	31.8	Very low	33	Very low	118 Å²	118	121.5 Å²	121.5	83%	0.825	77%	0.773	S	S	*	*			trans	-157.9	152.6	-169.9	57.1	0	0	0	0	115.1
1362	V	35.9	Very low	33.1	Very low	133 Å²	133	125.7 Å²	125.7	81%	0.806	78%	0.779	S	S	*	*			trans	-159.6	109.6	168.4	-99.8	0	0	0	0	108.2
1363	T	34.2	Very low	33.4	Very low	140 Å²	140	124.6 Å²	124.6	86%	0.859	77%	0.772	S	S	*	*				80.5	141.7	91.5	54.1	0	0	0	0	116.1
1364	A	28.4	Very low	33.5	Very low	107 Å²	107	123.2 Å²	123.2	88%	0.884	77%	0.769	S	S	*	*			trans	-140.9	168.1	-168.6	0	0	0	0	0	113.3
1365	S	36.4	Very low	34	Very low	115 Å²	115	124.4 Å²	124.4	80%	0.804	77%	0.771	S	S	*	*			trans	-151.3	143.1	179	53.8	0	0	0	0	113.3
1366	N	30.2	Very low	34.2	Very low	161 Å²	161	125 Å²	125	86%	0.861	77%	0.772	S	S	*	*			trans	-82	152.6	-179.9	-67.4	-4.4	0	0	0	113.3
1367	P	37.6	Very low	34.2	Very low	119 Å²	119	123.3 Å²	123.3	77%	0.773	77%	0.772	S	S	*	*			trans	-89.1	171.2	171.7	37	-35.8	0	0	0	113.2
1368	S	33.5	Very low	34.2	Very low	119 Å²	119	129.2 Å²	129.2	83%	0.832	80%	0.795	S	S	*	*			trans	-154.6	114.4	168.6	-75.5	0	0	0	0	114
1369	F	31.6	Very low	34	Very low	186 Å²	186	131.2 Å²	131.2	82%	0.816	80%	0.8	S	S	*	*			trans	67.4	130.2	139.1	-150.4	-128.6	0	0	0	122
1370	M	33.3	Very low	34.1	Very low	131 Å²	131	133.4 Å²	133.4	65%	0.645	81%	0.81	S	S	*	*			trans	81.4	103.7	142.6	-139.8	63.1	156.9	0	0	121.3
1371	L	35.7	Very low	34.1	Very low	165 Å²	165	132.1 Å²	132.1	86%	0.864	81%	0.807	S	S	*	*				-179.5	168	103.2	-92.2	170.7	0	0	0	112
1372	N	31.8	Very low	34.1	Very low	155 Å²	155	136.9 Å²	136.9	83%	0.829	81%	0.808	S	S	*	*			trans	-116.3	179.7	-170.6	-130.9	1.4	0	0	0	111.4
1373	P	39.3	Very low	33.9	Very low	104 Å²	104	136.2 Å²	136.2	68%	0.675	81%	0.81	S	S	*	*			trans	-118.8	-173.8	-135.5	34.3	-13.1	0	0	0	114.7
1374	S	33.6	Very low	33.5	Very low	122 Å²	122	137.7 Å²	137.7	85%	0.853	81%	0.811	S	S	*	*			trans	-151.3	157.9	168.9	-74.1	0	0	0	0	111.8
1375	V	39.5	Very low	33.9	Very low	136 Å²	136	138.3 Å²	138.3	82%	0.824	81%	0.806	S	S	*	*			trans	-134.3	-178.5	-165.8	-70.2	0	0	0	0	110.2
1376	P	37.9	Very low	33.5	Very low	126 Å²	126	141.6 Å²	141.6	82%	0.818	81%	0.806	S	S	*	*				-133.5	-177.3	-64.1	41	-25.8	0	0	0	113.1
1377	G	31.8	Very low	33.7	Very low	70 Å²	70	139.6 Å²	139.6	72%	0.722	81%	0.805	S	S	*	*			trans	123.3	135.3	140.5	0	0	0	0	0	118.5
1378	M	34.7	Very low	33.4	Very low	189 Å²	189	142.3 Å²	142.3	93%	0.931	81%	0.807	S	S	*	*				-171.2	151.8	112.6	-91.1	-161.8	78.6	0	0	111.1
1379	L	30.5	Very low	33.7	Very low	157 Å²	157	141.3 Å²	141.3	82%	0.822	80%	0.798	S	S	*	*			trans	-128.6	-176.1	-179.9	-80.7	173.3	0	0	0	107.8
1380	P	36.2	Very low	33.8	Very low	98 Å²	98	139.4 Å²	139.4	64%	0.636	80%	0.795	S	S	*	*			cis	-129.8	-179.4	-40.8	34.9	-18.9	0	0	0	112.2
1381	S	32	Very low	33.8	Very low	123 Å²	123	140.4 Å²	140.4	86%	0.86	80%	0.802	S	S	*	*			trans	-155.8	156.7	151.3	47.6	0	0	0	0	112.4
1382	Y	31.2	Very low	33.7	Very low	219 Å²	219	138.2 Å²	138.2	86%	0.859	80%	0.801	S	S	*	*			trans	-117.8	150.2	-166.1	-64	-105.8	0	0	0	112.9
1383	S	32	Very low	33.6	Very low	119 Å²	119	137.1 Å²	137.1	83%	0.832	79%	0.791	S	S	*	*			trans	-166.1	120.8	145.6	55.6	0	0	0	0	114.1
1384	L	26.7	Very low	33.4	Very low	171 Å²	171	138.3 Å²	138.3	90%	0.895	80%	0.799	S	S	*	*			trans	-118.9	141.9	155	-78.4	168.5	0	0	0	106.8
1385	P	36.2	Very low	33.2	Very low	119 Å²	119	141.8 Å²	141.8	77%	0.773	79%	0.793	S	S	*	*				-139.5	144.6	97	17.8	4.9	0	0	0	113
1386	F	28.8	Very low	33	Very low	184 Å²	184	140.4 Å²	140.4	81%	0.807	78%	0.779	S	S	*	*				62.9	106.3	77.1	-165.2	-81.1	0	0	0	115.3
1387	S	34.2	Very low	32.8	Very low	119 Å²	119	143.8 Å²	143.8	83%	0.832	78%	0.781	S	S	*	*			trans	-171.2	138.8	140	-80.4	0	0	0	0	112.4
1388	Q	30	Very low	32.8	Very low	177 Å²	177	144.1 Å²	144.1	83%	0.827	78%	0.777	S	S	*	*			trans	-118.7	-174.5	176.5	-113.5	-171.4	-8.5	0	0	108
1389	P	40.1	Very low	32.8	Very low	98 Å²	98	139.7 Å²	139.7	64%	0.636	76%	0.762	S	S	*	*			cis	-130.8	-164.5	-36.5	38.5	-21.6	0	0	0	110.7
1390	L	34	Very low	33	Very low	145 Å²	145	141.1 Å²	141.1	76%	0.759	76%	0.762	S	S	*	*				171.6	121.6	124.6	-93.3	167.1	0	0	0	113.3
1391	L	34	Very low	33	Very low	152 Å²	152	142.2 Å²	142.2	80%	0.796	77%	0.769	S	S	*	*			trans	53.2	136.8	153.6	-60.2	168.4	0	0	0	119.2
1392	S	32.7	Very low	33.2	Very low	119 Å²	119	141.6 Å²	141.6	83%	0.832	77%	0.765	S	S	*	*			cis	-148.2	160.5	41.6	-57.3	0	0	0	0	113.9
1393	E	30.7	Very low	33.3	Very low	132 Å²	132	137.5 Å²	137.5	62%	0.617	77%	0.765	S	S	*	*			trans	-113.4	128.7	-168	178.8	-168.8	173.9	0	0	112.8	R1395	E1393-R1395 HydrophobicContact CG-CG 4.18Å; E1393-R1395 WeakPolarHBondContact OE1-CG 3.49Å; E1393-R1395 IonicContact OE1-CZ 3.37Å; E1393-R1395 IonicContact OE1-NE 2.67Å; E1393-R1395 PolarHBondContact OE1-NE 3Å; E1393-R1395 IonicContact OE1-NH2 3.24Å; E1393-R1395 PolarHBondContact OE1-NH2 3.08Å; E1393-R1395 IonicContact OE2-NE 2.64Å; E1393-R1395 IonicContact OE2-NH2 2.69Å
1394	P	35	Very low	33.5	Very low	130 Å²	130	135.2 Å²	135.2	84%	0.844	76%	0.761	S	S	*	*			trans	-101.8	111.4	165.4	33.8	-26.3	0	0	0	111.9
1395	R	29.9	Very low	34	Very low	195 Å²	195	135.4 Å²	135.4	74%	0.736	76%	0.762	S	S	*	*			trans	-93.2	131.2	172.7	-65.9	-178.9	178.6	170.5	6	111.6	E1393	E1393-R1395 HydrophobicContact CG-CG 4.18Å; E1393-R1395 WeakPolarHBondContact OE1-CG 3.49Å; E1393-R1395 IonicContact OE1-CZ 3.37Å; E1393-R1395 IonicContact OE1-NE 2.67Å; E1393-R1395 PolarHBondContact OE1-NE 3Å; E1393-R1395 IonicContact OE1-NH2 3.24Å; E1393-R1395 PolarHBondContact OE1-NH2 3.08Å; E1393-R1395 IonicContact OE2-NE 2.64Å; E1393-R1395 IonicContact OE2-NH2 2.69Å
1396	M	33.6	Very low	33.8	Very low	106 Å²	106	135.6 Å²	135.6	52%	0.522	76%	0.763	S	S	.	*			trans	-145.6	114.6	150.4	-88.5	-141.7	-81.8	0	0	114.7	D803	D803-M1396 HydrophobicContact CB-CE 3.86Å; D803-M1396 HydrophobicContact CB-SD 4.27Å
1397	F	34	Very low	34.3	Very low	197 Å²	197	132.6 Å²	132.6	86%	0.864	77%	0.765	S	S	*	*			trans	3.8	115.4	156.5	-64.2	-87.9	0	0	0	121
1398	A	31.9	Very low	34.4	Very low	78 Å²	78	134 Å²	134	65%	0.645	76%	0.763	S	S	*	*			trans	-87.6	125.2	145.5	0	0	0	0	0	110.2	F1400	A1398-F1400 PolarHBondContact O-N 2.97Å
1399	P	35.1	Very low	34.8	Very low	95 Å²	95	132.8 Å²	132.8	62%	0.617	76%	0.762	S	S	*	*			trans	-85.7	105.8	177.4	31.9	-31.9	0	0	0	111.6	P1401	P1399-P1401 VanDerWaalsContact O-CD 3.31Å; P1399-P1401 WeakPolarHBondContact O-CD 3.26Å
1400	F	35.1	Very low	34.5	Very low	187 Å²	187	133.2 Å²	133.2	82%	0.82	77%	0.767	S	S	*	*			trans	-80.9	118.8	165.1	-80.7	-86.5	0	0	0	110.7	A1398 S1402	A1398-F1400 PolarHBondContact O-N 2.97Å; F1400-S1402 PolarHBondContact O-N 3.08Å
1401	P	36.3	Very low	34.6	Very low	121 Å²	121	138.5 Å²	138.5	79%	0.786	78%	0.777	S	S	*	*			trans	-84.5	106.1	164.5	32.4	-29.8	0	0	0	109.8	P1399	P1399-P1401 VanDerWaalsContact O-CD 3.31Å; P1399-P1401 WeakPolarHBondContact O-CD 3.26Å
1402	S	35.4	Very low	34.6	Very low	111 Å²	111	135 Å²	135	78%	0.776	78%	0.778	S	S	*	*			trans	-76.5	127.6	165.9	-56.9	0	0	0	0	109.7	F1400 G1404	F1400-S1402 PolarHBondContact O-N 3.08Å; S1402-G1404 PolarHBondContact O-N 2.77Å
1403	P	34.5	Very low	34.7	Very low	132 Å²	132	136.2 Å²	136.2	86%	0.857	78%	0.78	S	S	*	*			trans	-71.1	122.3	175.3	28.3	-32.7	0	0	0	110.3
1404	G	35.8	Very low	34.8	Very low	72 Å²	72	135 Å²	135	74%	0.742	79%	0.786	S	S	*	*			trans	-126.6	115.5	-177.4	0	0	0	0	0	111.8	S1402	S1402-G1404 PolarHBondContact O-N 2.77Å
1405	L	36.5	Very low	34.8	Very low	174 Å²	174	134.2 Å²	134.2	91%	0.911	78%	0.778	S	S	*	*			trans	-52.3	134.6	-173.2	-71.4	156.7	0	0	0	114.2
1406	P	33.2	Very low	35	Very low	123 Å²	123	135 Å²	135	80%	0.799	78%	0.783	S	S	*	*			trans	-80.6	131.1	171.2	32.6	-32.4	0	0	0	111.2
1407	S	39.2	Very low	35.4	Very low	121 Å²	121	135.8 Å²	135.8	85%	0.846	80%	0.796	S	S	*	*			trans	-146.8	145.1	162.2	70.7	0	0	0	0	110.7
1408	N	36.4	Very low	35.5	Very low	149 Å²	149	129.2 Å²	129.2	80%	0.797	78%	0.784	S	S	*	*			trans	-101.5	145.2	-161.3	-102.9	-49.7	0	0	0	113.9
1409	L	36.5	Very low	35.8	Very low	151 Å²	151	136.3 Å²	136.3	79%	0.791	80%	0.795	S	S	*	*			trans	63.5	124.1	144.9	-65.6	166.6	0	0	0	120.8
1410	S	34.6	Very low	35.9	Very low	108 Å²	108	139.6 Å²	139.6	76%	0.755	80%	0.804	S	S	*	*			trans	108.8	94.3	138.8	-53.7	0	0	0	0	120.8
1411	R	35.8	Very low	35.9	Very low	256 Å²	256	135.5 Å²	135.5	97%	0.966	80%	0.799	S	S	*	*				59.8	92.8	111.5	-164.3	-173.4	-158.9	175.4	6.8	118.6
1412	G	34.2	Very low	36.2	Very low	79 Å²	79	134.3 Å²	134.3	81%	0.814	79%	0.792	S	S	*	*			trans	-159.4	135.9	164.4	0	0	0	0	0	113.1
1413	V	35.5	Very low	36.3	Very low	144 Å²	144	137.7 Å²	137.7	87%	0.873	80%	0.795	S	S	*	*			trans	-104.2	162.7	-171.3	177.1	0	0	0	0	111.8
1414	S	32.9	Very low	36.5	Very low	106 Å²	106	136 Å²	136	74%	0.741	79%	0.792	S	S	*	*			trans	85.9	148.5	164.3	-90.5	0	0	0	0	118.8
1415	V	34.9	Very low	36.5	Very low	113 Å²	113	135.6 Å²	135.6	69%	0.685	79%	0.787	S	S	*	*			cis	-172	142.1	-20.6	122.6	0	0	0	0	108.3
1416	Y	33.8	Very low	36.5	Very low	212 Å²	212	138.5 Å²	138.5	83%	0.831	79%	0.788	S	S	*	*			trans	11	170	153.3	-69.9	-104.7	0	0	0	123.3
1417	P	43	Very low	36.8	Very low	123 Å²	123	138.5 Å²	138.5	80%	0.799	79%	0.788	S	S	*	*			cis	-147.5	-164.6	-48.2	44.7	-26.2	0	0	0	114.4
1418	G	35.4	Very low	36.5	Very low	59 Å²	59	137.8 Å²	137.8	61%	0.608	79%	0.789	S	S	*	*			trans	153.1	144.6	142.8	0	0	0	0	0	120.6
1419	Y	38.2	Very low	36.2	Very low	227 Å²	227	134.5 Å²	134.5	89%	0.89	79%	0.791	S	S	*	*			trans	66.2	111.2	167.1	-58.3	-83.7	0	0	0	117.8
1420	M	36.8	Very low	36	Very low	163 Å²	163	130.8 Å²	130.8	80%	0.803	79%	0.789	S	S	*	*				77.9	112.9	51.4	-59	-74.3	98.3	0	0	112.8
1421	S	34.7	Very low	35.8	Very low	102 Å²	102	133.2 Å²	133.2	71%	0.713	79%	0.793	S	S	*	*			cis	76.2	137	45	-152.7	0	0	0	0	113.2
1422	P	44.2	Very low	35.8	Very low	96 Å²	96	128 Å²	128	62%	0.623	78%	0.783	S	S	*	*				-160.5	173.5	81.9	44.5	-23.9	0	0	0	120.5
1423	H	37.5	Very low	35.5	Very low	182 Å²	182	134.4 Å²	134.4	84%	0.843	78%	0.783	S	S	*	*			trans	68.2	152.8	156.4	-54.2	-45.8	0	0	0	121
1424	A	38.6	Very low	35.3	Very low	97 Å²	97	131.4 Å²	131.4	80%	0.802	77%	0.768	S	S	*	*			cis	-178.3	163.5	-25.9	0	0	0	0	0	108.9
1425	G	35.5	Very low	35.4	Very low	62 Å²	62	133.9 Å²	133.9	64%	0.639	77%	0.768	S	S	*	*			cis	153.5	122.7	-13.7	0	0	0	0	0	115.2
1426	Y	35	Very low	35.2	Very low	235 Å²	235	134.6 Å²	134.6	92%	0.922	77%	0.772	S	S	*	*			trans	69.2	169	165.5	-67.4	-79	0	0	0	119.6
1427	P	40	Very low	35.2	Very low	124 Å²	124	129.8 Å²	129.8	81%	0.805	77%	0.767	S	S	*	*			cis	-126.2	-165.8	-5.9	33.5	-12	0	0	0	114.8
1428	A	33	Very low	35	Very low	105 Å²	105	128.2 Å²	128.2	87%	0.868	76%	0.756	S	S	*	*			trans	-126.2	167.5	176.5	0	0	0	0	0	112.9
1429	G	31	Very low	34.9	Very low	81 Å²	81	134.2 Å²	134.2	84%	0.835	77%	0.766	S	S	*	*			trans	132.9	122.9	148.8	0	0	0	0	0	119.2
1430	G	32	Very low	34.4	Very low	73 Å²	73	129.7 Å²	129.7	75%	0.753	76%	0.757	S	S	*	*			trans	77.1	169.8	158.5	0	0	0	0	0	117.5
1431	L	30.9	Very low	34.1	Very low	159 Å²	159	126 Å²	126	83%	0.832	75%	0.748	S	S	*	*			cis	-172.8	161.5	-19.8	-125.1	169.5	0	0	0	108.2
1432	L	34.3	Very low	34	Very low	145 Å²	145	128.6 Å²	128.6	76%	0.759	75%	0.748	S	S	*	*			trans	73.6	107.5	162.1	-61.9	172.8	0	0	0	121.1
1433	R	28.9	Very low	33.5	Very low	215 Å²	215	131.3 Å²	131.3	81%	0.811	75%	0.753	S	S	*	*				98.9	134.9	102.7	-176.8	175.7	-176.3	164.4	4.2	121
1434	S	31.7	Very low	33.5	Very low	80 Å²	80	129 Å²	129	56%	0.559	75%	0.751	S	S	*	*			trans	71.4	147.2	160	-76.2	0	0	0	0	118
1435	Q	34.4	Very low	33.3	Very low	159 Å²	159	127.9 Å²	127.9	74%	0.743	74%	0.742	S	S	*	*			cis	-164.6	133.1	-18	-113.6	161.9	-42.1	0	0	106.2
1436	V	30.3	Very low	33.3	Very low	127 Å²	127	133.7 Å²	133.7	77%	0.77	75%	0.752	S	S	*	*				67	132.3	91.1	165.2	0	0	0	0	114.2
1437	P	34.5	Very low	33.4	Very low	111 Å²	111	128.9 Å²	128.9	72%	0.721	75%	0.747	S	S	*	*				-133.5	-116	-63.6	38.2	-14.9	0	0	0	110.1
1438	P	37.3	Very low	33.1	Very low	90 Å²	90	126.1 Å²	126.1	58%	0.584	74%	0.741	S	S	*	*				-109.7	-142.7	-75.1	41.6	-22.3	0	0	0	112.4
1439	F	33.7	Very low	33	Very low	185 Å²	185	130.7 Å²	130.7	81%	0.811	74%	0.742	S	S	*	*			trans	79.5	132.3	176.9	-59.1	-77.8	0	0	0	116.4
1440	D	28.1	Very low	33	Very low	132 Å²	132	131.2 Å²	131.2	71%	0.706	73%	0.733	S	S	*	*			cis	119.5	116.2	-0.4	-168.4	9.4	0	0	0	114.5
1441	S	31.2	Very low	33	Very low	86 Å²	86	132 Å²	132	60%	0.601	73%	0.727	S	S	*	*			trans	55.4	165	157.1	52.7	0	0	0	0	124.5
1442	H	33	Very low	33.1	Very low	156 Å²	156	131 Å²	131	72%	0.722	72%	0.722	S	S	*	*			trans	73.4	144	171.8	-70.3	-94.1	0	0	0	119.1
1443	E	32.7	Very low	33.1	Very low	154 Å²	154	130.9 Å²	130.9	72%	0.72	72%	0.722	S	S	*	*			cis	-173.5	-178.3	-16.2	-172.3	165.8	-156.2	0	0	109.6
1444	V	36.5	Very low	33.4	Very low	132 Å²	132	129 Å²	129	80%	0.8	73%	0.728	S	S	*	*			trans	81.4	127.8	159.8	-174.5	0	0	0	0	117
1445	A	35.2	Very low	33.6	Very low	74 Å²	74	134.5 Å²	134.5	61%	0.612	75%	0.745	S	S	*	*			cis	-168.3	152.2	-15.2	0	0	0	0	0	112.1
1446	E	35.7	Very low	33.6	Very low	184 Å²	184	134.8 Å²	134.8	86%	0.86	75%	0.752	S	S	*	*			trans	54.6	153.3	149.2	-61.5	178.6	148.5	0	0	120.2
1447	V	36.4	Very low	33.7	Very low	134 Å²	134	138.1 Å²	138.1	81%	0.812	76%	0.756	S	S	*	*			cis	-145.5	132.4	24	-162.5	0	0	0	0	112.2
1448	G	33.4	Very low	33.8	Very low	66 Å²	66	140 Å²	140	68%	0.68	76%	0.76	S	S	*	*			trans	55.3	154.7	147.9	0	0	0	0	0	122.6
1449	F	31.7	Very low	33.6	Very low	201 Å²	201	143.6 Å²	143.6	88%	0.882	77%	0.774	S	S	*	*			cis	-166.1	146.6	-5.2	-144.2	-89.8	0	0	0	110.3
1450	S	32	Very low	33.6	Very low	93 Å²	93	141.5 Å²	141.5	65%	0.65	77%	0.771	S	S	*	*			trans	27.9	125.8	172.4	-77.7	0	0	0	0	121.7
1451	S	32.1	Very low	34	Very low	89 Å²	89	140.5 Å²	140.5	62%	0.622	77%	0.77	S	S	*	*			cis	87.9	157	38.7	83.7	0	0	0	0	115.6
1452	N	31.9	Very low	34	Very low	138 Å²	138	143.4 Å²	143.4	74%	0.738	78%	0.777	S	S	*	*			trans	91.4	92.2	-168.4	-60.5	41.2	0	0	0	111.5
1453	D	34.4	Very low	33.9	Very low	142 Å²	142	142.2 Å²	142.2	76%	0.759	77%	0.772	S	S	*	*				75.1	96.4	56	-50.7	-32.3	0	0	0	112.4
1454	D	34.4	Very low	33.9	Very low	175 Å²	175	140.3 Å²	140.3	94%	0.936	77%	0.771	S	S	*	*			trans	-158.8	153.5	140.1	-91.9	-39	0	0	0	106
1455	E	36.5	Very low	33.5	Very low	196 Å²	196	138.3 Å²	138.3	92%	0.916	76%	0.759	S	S	*	*			trans	-86.6	147.2	-159.2	-60.7	-175.4	124.6	0	0	115.6	K1457	E1455-K1457 PolarHBondContact O-N 2.81Å
1456	D	34.5	Very low	33.4	Very low	166 Å²	166	138.1 Å²	138.1	89%	0.888	76%	0.764	S	S	*	*			trans	-67.7	116	178.2	-68.2	-76.4	0	0	0	113.1
1457	K	33.1	Very low	33.1	Very low	196 Å²	196	142 Å²	142	85%	0.852	78%	0.779	S	S	*	*			trans	-168.8	59	156.8	-116.3	175.8	-178.2	-167.9	0	115	E1455	E1455-K1457 PolarHBondContact O-N 2.81Å
1458	D	35.7	Very low	32.9	Very low	152 Å²	152	142.5 Å²	142.5	81%	0.813	78%	0.777	S	S	*	*			trans	-103.2	91	174.6	-67.7	-16.4	0	0	0	111.7
1459	D	33.4	Very low	32.9	Very low	165 Å²	165	146.5 Å²	146.5	88%	0.882	78%	0.782	S	S	*	*			trans	-104.1	53.2	167.8	-92.3	-50.8	0	0	0	110.6	V1461	D1459-V1461 PolarHBondContact O-N 3.32Å
1460	D	34.3	Very low	32.9	Very low	140 Å²	140	143.4 Å²	143.4	75%	0.749	78%	0.776	S	S	*	*			trans	-69.9	107.5	-178.3	-91	0.8	0	0	0	112.7
1461	V	35.3	Very low	33	Very low	111 Å²	111	146.4 Å²	146.4	67%	0.673	78%	0.784	S	S	*	*			trans	-69.6	137.9	157	177.8	0	0	0	0	108.7	D1459 E1463	D1459-V1461 PolarHBondContact O-N 3.32Å; V1461-E1463 PolarHBondContact O-N 2.65Å
1462	I	32.9	Very low	33	Very low	148 Å²	148	150 Å²	150	76%	0.759	79%	0.794	S	S	*	*			trans	-97	99.8	-170.8	-58.4	179.1	0	0	0	111
1463	E	29.9	Very low	33.1	Very low	130 Å²	130	150.8 Å²	150.8	61%	0.607	80%	0.798	S	S	*	*			trans	-43	141.7	168.5	-61.2	176.7	117.7	0	0	112.8	V1461 T1465	V1461-E1463 PolarHBondContact O-N 2.65Å; E1463-T1465 HydrophobicContact CB-CG2 4.23Å; E1463-T1465 PolarHBondContact O-N 3.47Å
1464	V	33.4	Very low	33	Very low	115 Å²	115	151.4 Å²	151.4	70%	0.697	80%	0.8	S	S	*	*			trans	-99.3	54.4	176	-166.5	0	0	0	0	111.5	G1466	V1464-G1466 PolarHBondContact O-N 2.71Å
1465	T	26.8	Very low	32.9	Very low	89 Å²	89	149.6 Å²	149.6	55%	0.546	79%	0.79	S	S	.	*			trans	-72.1	67.6	-179.6	47.3	0	0	0	0	114.1	E1463	E1463-T1465 HydrophobicContact CB-CG2 4.23Å; E1463-T1465 PolarHBondContact O-N 3.47Å
1466	G	33.2	Very low	32.6	Very low	71 Å²	71	145.8 Å²	145.8	73%	0.732	78%	0.78	S	S	*	*			trans	-89.1	105.4	-175.2	0	0	0	0	0	115.3	V1464	V1464-G1466 PolarHBondContact O-N 2.71Å
1467	K	29	Very low	32.4	Very low	266 Å²	266	143.9 Å²	143.9	100%	1.157	77%	0.77	S	S	*	*			trans	-71.2	0	176.5	-66.5	-177.9	175.9	62.1	0	115.6

Retrieved 1,467 of 1,467 residues in 2602.6 ms (Link to these results)

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