A0A5K4FA50_SCHMA Loading...

General transcription factor 3C polypeptide 2

AlphaFold DB , UniProt , Accession A0A5K4FA50, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 949 aa.

						>A0A5K4FA50_SCHMA|A0A5K4FA50
MTTTTKPRRASAKACLKAICGLTTLQNSDDSSISENIESEMSDYVVESGNNSITTEESGSNSESKAERSNDSKLSPANSSSTGSLIDEPCRKKSSIKVHRPVLGDKGCLRSPFVRYMRSCRGRIDRDPKSIAPAKFLQSLDSLKHMFSNTQNPFLFCPSGYKSNFMCRKKALFPTSGAWVRSPIYIKKDHLPQPPISPIYLSDEVNSVKLKRLEYDKGSNLIYAGGAVTCLSWCPPRLSSLLDSESIVNECSFLATSSVPTPDSQTLYSDKMKNCPGVIQIWNCGVLGLTEVSSNLNPEIHFIISHDWGRITDMCWIPVSPFSGIKELVTKACSYGSCIMTIPEVDRVLGHLIVACQDGFIRIFSIPTCPMNFGFENSSASQFAYTLSKNCYLTLSPSVKENPHWVGWPTCTHIRREFPDRLFVGYTTGYVGYYNLSSLNDLVYSSQYNHLAPVKMSRLTSSPITSLSLHPLNGRMLYVQALERVGGVWDLDDSVCFTSESGEIRWNPVHGFMGREGIWISNGEFLVGSREMWFTSTSCRNTQLPKWPALFDTMDNCIGQFLPSEPTDGCSHLIPLGIQSLTSVDFSDSLNALVCSTDRGRIEVIAESVEKRKCDPSRPKYIPEMRIPLCQWSMEKRPSEEFAHCNSSKTEEKLEESVDLTTCDYDIIDINAFINEYKIDFVLTNSASSTTTTTNTTTTSTAITSALKSEMDVGELDDAELQHFLFPSPNCEHCGTDQSMCWHKLWSNYQIRILLKDKVPKKPELDFINTPMLKINKVRFNPNPTSATWIAVASSIGFIQFICVEQLYCQSFDILLNRKPTGKDSIYLTSKSQDIVLGRPVNSLNRNSVKRNQRKTRTSSNISTKQSVQMKSDNDEMGVVPKMLTKTVDNYSSDDSDATEMMVNDMQTLNIIDVSHDNYITTRRRSRRLQAQRNFSSASTSSTDPCEGE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.6	Very low	43.8	Very low	54 Å²	54	86.1 Å²	86.1	27%	0.266	45%	0.453	S	S	.	.				0	146.5	0	-69.5	166.5	169.9	0	0	108.4	W506 P508 M513 P566 T567	M1-W506 HydrophobicContact SD-CB 4.12Å; M1-W506 HydrophobicContact SD-CG 4.21Å; M1-P508 HydrophobicContact CG-CB 4.36Å; M1-M513 HydrophobicContact CE-CE 4.28Å; M1-M513 HydrophobicContact CE-CG 3.96Å; M1-M513 HydrophobicContact CE-SD 4.11Å; M1-P566 HydrophobicContact SD-CB 3.78Å; M1-T567 WeakPolarHBondContact O-CG2 3.47Å
2	T	36.3	Very low	44.1	Very low	90 Å²	90	79.1 Å²	79.1	55%	0.552	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	108.9	166.7	29.1	0	0	0	0	108.5	N507 V509	T2-N507 PolarHBondContact N-O 2.72Å; T2-N507 PolarHBondContact OG1-O 3.03Å; T2-V509 HydrophobicContact CG2-CG2 3.59Å; T2-V509 WeakPolarHBondContact OG1-CG2 3.18Å
3	T	40.9	Very low	44.7	Very low	33 Å²	33	84.6 Å²	84.6	20%	0.202	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	125.5	171.4	30.4	0	0	0	0	110.9	T5 P566	T3-T5 PolarHBondContact O-N 3.12Å; T3-T5 WeakPolarHBondContact OG1-CG2 3.47Å; T3-P566 HydrophobicContact CG2-CB 4.48Å; T3-P566 HydrophobicContact CG2-CG 3.52Å
4	T	45.8	Very low	45.2	Very low	110 Å²	110	83.2 Å²	83.2	68%	0.675	44%	0.442	S	S	*	.			trans	-77.6	78.4	162.7	49.9	0	0	0	0	108.7	K6	T4-K6 PolarHBondContact O-N 2.82Å
5	T	42.1	Very low	45	Very low	77 Å²	77	78.1 Å²	78.1	47%	0.472	42%	0.415	S	S	.	.			trans	-70.6	7.6	-167	47.7	0	0	0	0	117	T3 P7	T3-T5 PolarHBondContact O-N 3.12Å; T3-T5 WeakPolarHBondContact OG1-CG2 3.47Å; T5-P7 WeakPolarHBondContact O-CD 3.42Å
6	K	42.2	Very low	45	Very low	155 Å²	155	76.1 Å²	76.1	67%	0.674	41%	0.405	S	S	*	.			trans	-93.3	112.2	-177.6	-72.6	-172.3	177	-175.1	0	110.5	T4	T4-K6 PolarHBondContact O-N 2.82Å
7	P	41.7	Very low	45.3	Very low	43 Å²	43	82.2 Å²	82.2	28%	0.279	43%	0.427	S	S	.	.			trans	-64.3	143.4	167.5	35.8	-38.4	0	0	0	107.5	T5 A12	T5-P7 WeakPolarHBondContact O-CD 3.42Å; P7-A12 HydrophobicContact CB-CB 4.48Å
8	R	49.2	Very low	45.3	Very low	208 Å²	208	80.7 Å²	80.7	79%	0.785	43%	0.429	S	S	*	.			trans	-100.2	-13	-178.8	-78.6	178.2	161	174.5	-8	113.6
9	R	49.6	Very low	44.9	Very low	80 Å²	80	77.5 Å²	77.5	30%	0.302	41%	0.411	S	S	.	.	S	Bend	trans	-138.9	162.9	-156.8	-61.1	-174.8	-175.3	147.6	-5.5	115.4	S11 V495	R9-S11 WeakPolarHBondContact CB-OG 3.11Å; R9-V495 PolarHBondContact NH1-O 3.05Å; R9-V495 VanDerWaalsContact NH2-CG1 3.3Å
10	A	52.1	Low	44.6	Very low	75 Å²	75	76.6 Å²	76.6	62%	0.62	41%	0.411	S	S	*	.	S	Bend	trans	-78.6	-23.6	-176.2	0	0	0	0	0	113.7	A12 K13 A14	A10-A12 VanDerWaalsContact C-N 3.3Å; A10-A12 PolarHBondContact O-N 3.47Å; A10-K13 WeakPolarHBondContact O-CA 3.26Å; A10-K13 WeakPolarHBondContact O-CB 3.49Å; A10-K13 PolarHBondContact O-N 2.89Å; A10-A14 PolarHBondContact O-N 2.89Å
11	S	46	Very low	44.4	Very low	22 Å²	22	74.8 Å²	74.8	15%	0.154	41%	0.411	C	S	.	.	H	α-helix	trans	-45.7	-51	168.3	40.7	0	0	0	0	112.2	R9 K13 A14 C15 D493 E503	R9-S11 WeakPolarHBondContact CB-OG 3.11Å; S11-K13 PolarHBondContact O-N 3.2Å; S11-A14 PolarHBondContact O-N 2.74Å; S11-C15 WeakPolarHBondContact O-CB 3.49Å; S11-C15 PolarHBondContact O-N 2.71Å; S11-D493 VanDerWaalsContact CB-CG 3.44Å; S11-D493 VanDerWaalsContact CB-OD2 3.25Å; S11-D493 WeakPolarHBondContact CB-OD2 3.44Å; S11-D493 VanDerWaalsContact OG-CG 3.29Å; S11-D493 PolarHBondContact OG-OD2 3.47Å; S11-E503 PolarHBondContact OG-OE1 2.86Å
12	A	47.5	Very low	44.3	Very low	2 Å²	2	77.7 Å²	77.7	2%	0.017	43%	0.427	C	S	.	.	H	α-helix	trans	-56.2	-33.1	175.2	0	0	0	0	0	113.8	P7 A10 L16 P112	P7-A12 HydrophobicContact CB-CB 4.48Å; A10-A12 VanDerWaalsContact C-N 3.3Å; A10-A12 PolarHBondContact O-N 3.47Å; A12-L16 PolarHBondContact O-N 3.17Å; A12-P112 WeakPolarHBondContact O-CB 3.08Å
13	K	52.8	Low	44.1	Very low	151 Å²	151	76.3 Å²	76.3	66%	0.657	42%	0.418	S	S	*	.	H	α-helix	trans	-72.8	-40.5	173	-76.6	-176.8	174	-178.9	0	112	A10 S11 L16 K17 P112	A10-K13 WeakPolarHBondContact O-CA 3.26Å; A10-K13 WeakPolarHBondContact O-CB 3.49Å; A10-K13 PolarHBondContact O-N 2.89Å; S11-K13 PolarHBondContact O-N 3.2Å; K13-L16 PolarHBondContact O-N 3.42Å; K13-K17 PolarHBondContact O-N 3.29Å; K13-P112 HydrophobicContact CB-CG 4.44Å; K13-P112 HydrophobicContact CG-CG 3.83Å
14	A	51	Low	43.9	Very low	65 Å²	65	79.4 Å²	79.4	54%	0.537	44%	0.437	S	S	.	.	H	α-helix	trans	-65.4	-41.8	178.2	0	0	0	0	0	111.5	A10 S11 L16 K17 A18	A10-A14 PolarHBondContact O-N 2.89Å; S11-A14 PolarHBondContact O-N 2.74Å; A14-L16 VanDerWaalsContact C-N 3.33Å; A14-L16 PolarHBondContact O-N 3.12Å; A14-K17 PolarHBondContact O-N 3.06Å; A14-K17 VanDerWaalsContact O-N 3.1Å; A14-A18 PolarHBondContact O-N 3.11Å
15	C	42.8	Very low	43.2	Very low	6 Å²	6	80.7 Å²	80.7	4%	0.041	44%	0.439	C	S	.	.	H	α-helix	trans	-58.5	-43.2	173.4	-163.6	0	0	0	0	111.6	S11 A18 I19 N473 M476	S11-C15 WeakPolarHBondContact O-CB 3.49Å; S11-C15 PolarHBondContact O-N 2.71Å; C15-A18 PolarHBondContact O-N 2.98Å; C15-I19 WeakPolarHBondContact O-CD1 3.34Å; C15-I19 VanDerWaalsContact O-CG1 3.25Å; C15-I19 WeakPolarHBondContact O-CG1 3.27Å; C15-I19 PolarHBondContact O-N 3.16Å; C15-I19 VanDerWaalsContact O-N 3.15Å; C15-N473 PolarHBondContact SG-ND2 3.09Å; C15-M476 HydrophobicContact CB-CE 4.2Å; C15-M476 WeakPolarHBondContact SG-CE 3.26Å
16	L	44.9	Very low	42.8	Very low	46 Å²	46	85.3 Å²	85.3	24%	0.241	46%	0.456	C	S	.	.	H	α-helix	trans	-60.7	-45.4	171.1	178.8	108.7	0	0	0	112.3	A12 K13 A14 A18 I19 C20 P112 R115	A12-L16 PolarHBondContact O-N 3.17Å; K13-L16 PolarHBondContact O-N 3.42Å; A14-L16 VanDerWaalsContact C-N 3.33Å; A14-L16 PolarHBondContact O-N 3.12Å; L16-A18 VanDerWaalsContact C-N 3.3Å; L16-A18 PolarHBondContact O-N 2.9Å; L16-I19 PolarHBondContact O-N 2.93Å; L16-I19 VanDerWaalsContact O-N 3.12Å; L16-C20 WeakPolarHBondContact O-CB 3.36Å; L16-C20 PolarHBondContact O-N 3.15Å; L16-C20 PolarHBondContact O-SG 3.42Å; L16-P112 HydrophobicContact CB-CB 3.44Å; L16-P112 VanDerWaalsContact CB-CB 3.44Å; L16-P112 HydrophobicContact CD1-CB 3.75Å; L16-P112 WeakPolarHBondContact CD1-O 3.39Å; L16-P112 HydrophobicContact CD2-CB 4.07Å; L16-P112 HydrophobicContact CG-CB 3.92Å; L16-R115 HydrophobicContact CD1-CB 4.49Å
17	K	50.2	Low	42.1	Very low	180 Å²	180	85 Å²	85	78%	0.783	46%	0.461	S	S	*	.	H	α-helix	trans	-61.2	-39.7	-177.8	-156.7	178.9	-175.2	-174.7	0	111.8	K13 A14	K13-K17 PolarHBondContact O-N 3.29Å; A14-K17 PolarHBondContact O-N 3.06Å; A14-K17 VanDerWaalsContact O-N 3.1Å
18	A	45	Very low	41.5	Very low	56 Å²	56	87.2 Å²	87.2	46%	0.463	48%	0.478	S	S	.	.	H	α-helix	trans	-65.8	-37.1	174.6	0	0	0	0	0	113.2	A14 C15 L16	A14-A18 PolarHBondContact O-N 3.11Å; C15-A18 PolarHBondContact O-N 2.98Å; L16-A18 VanDerWaalsContact C-N 3.3Å; L16-A18 PolarHBondContact O-N 2.9Å
19	I	37.4	Very low	40.5	Very low	19 Å²	19	84.9 Å²	84.9	10%	0.097	48%	0.481	C	S	.	.	H	α-helix	trans	-81.1	-33.9	-177.9	-64.8	165.9	0	0	0	112.3	C15 L16 G21 L22 T23 Y116	C15-I19 WeakPolarHBondContact O-CD1 3.34Å; C15-I19 VanDerWaalsContact O-CG1 3.25Å; C15-I19 WeakPolarHBondContact O-CG1 3.27Å; C15-I19 PolarHBondContact O-N 3.16Å; C15-I19 VanDerWaalsContact O-N 3.15Å; L16-I19 PolarHBondContact O-N 2.93Å; L16-I19 VanDerWaalsContact O-N 3.12Å; I19-G21 PolarHBondContact O-N 3.05Å; I19-L22 WeakPolarHBondContact O-CB 3.34Å; I19-L22 PolarHBondContact O-N 3.47Å; I19-T23 PolarHBondContact O-N 3.07Å; I19-Y116 HydrophobicContact CD1-CD1 4.28Å; I19-Y116 HydrophobicContact CD1-CE1 4.35Å; I19-Y116 HydrophobicContact CD1-CG 4.48Å; I19-Y116 HydrophobicContact CG2-CD2 3.37Å; I19-Y116 HydrophobicContact CG2-CE2 3.35Å; I19-Y116 HydrophobicContact CG2-CG 4.04Å
20	C	39.3	Very low	39.4	Very low	59 Å²	59	88.4 Å²	88.4	40%	0.399	51%	0.506	S	S	.	.	H	α-helix	trans	-59.5	-35	176.4	-79.7	0	0	0	0	112.5	L16 L22 T23 T24	L16-C20 WeakPolarHBondContact O-CB 3.36Å; L16-C20 PolarHBondContact O-N 3.15Å; L16-C20 PolarHBondContact O-SG 3.42Å; C20-L22 VanDerWaalsContact C-N 3.27Å; C20-L22 PolarHBondContact O-N 3.01Å; C20-T23 WeakPolarHBondContact CA-OG1 3.12Å; C20-T23 PolarHBondContact O-N 3.25Å; C20-T23 PolarHBondContact O-OG1 3.33Å; C20-T24 PolarHBondContact O-N 3.45Å; C20-T24 PolarHBondContact O-OG1 3.11Å
21	G	40	Very low	38.2	Very low	40 Å²	40	90 Å²	90	41%	0.412	51%	0.512	S	S	.	.	H	α-helix	trans	-67.4	-22.1	174.4	0	0	0	0	0	114.6	I19 T24	I19-G21 PolarHBondContact O-N 3.05Å; G21-T24 PolarHBondContact O-OG1 2.88Å
22	L	34.3	Very low	37.4	Very low	115 Å²	115	94.1 Å²	94.1	60%	0.602	54%	0.541	S	S	*	.	H	α-helix	trans	-81	-37.4	173.6	-72.1	163.3	0	0	0	111.5	I19 C20 T24 L25	I19-L22 WeakPolarHBondContact O-CB 3.34Å; I19-L22 PolarHBondContact O-N 3.47Å; C20-L22 VanDerWaalsContact C-N 3.27Å; C20-L22 PolarHBondContact O-N 3.01Å; L22-T24 VanDerWaalsContact C-N 3.29Å; L22-T24 PolarHBondContact O-N 3.5Å; L22-L25 PolarHBondContact O-N 2.93Å
23	T	32.2	Very low	36.5	Very low	61 Å²	61	102.3 Å²	102.3	37%	0.374	58%	0.583	S	S	.	*	H	α-helix	trans	-69.9	-21.1	179.2	43.3	0	0	0	0	114.6	I19 C20 L25	I19-T23 PolarHBondContact O-N 3.07Å; C20-T23 WeakPolarHBondContact CA-OG1 3.12Å; C20-T23 PolarHBondContact O-N 3.25Å; C20-T23 PolarHBondContact O-OG1 3.33Å; T23-L25 VanDerWaalsContact C-N 3.31Å
24	T	35.1	Very low	35.2	Very low	98 Å²	98	100.1 Å²	100.1	60%	0.601	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-18.8	175.5	35.3	0	0	0	0	113.6	C20 G21 L22	C20-T24 PolarHBondContact O-N 3.45Å; C20-T24 PolarHBondContact O-OG1 3.11Å; G21-T24 PolarHBondContact O-OG1 2.88Å; L22-T24 VanDerWaalsContact C-N 3.29Å; L22-T24 PolarHBondContact O-N 3.5Å
25	L	32.4	Very low	34.1	Very low	137 Å²	137	105.8 Å²	105.8	72%	0.717	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-6.7	-176.3	-92.3	158.7	0	0	0	115	L22 T23	L22-L25 PolarHBondContact O-N 2.93Å; T23-L25 VanDerWaalsContact C-N 3.31Å
26	Q	32.4	Very low	33.3	Very low	174 Å²	174	112.4 Å²	112.4	81%	0.813	64%	0.637	S	S	*	*	S	Bend	trans	-111.7	5.3	-176.4	-79.4	-171	-26.8	0	0	115
27	N	29.2	Very low	32.5	Very low	149 Å²	149	118.7 Å²	118.7	80%	0.797	67%	0.669	S	S	*	*	S	Bend	trans	-128.9	21.5	-175.9	-76.4	-47.3	0	0	0	113.7
28	S	28.9	Very low	31.4	Very low	89 Å²	89	118.3 Å²	118.3	62%	0.622	67%	0.67	S	S	*	*			trans	-130.2	73.5	-180	63	0	0	0	0	111.8
29	D	27.2	Very low	30.4	Very low	158 Å²	158	120.8 Å²	120.8	85%	0.845	68%	0.684	S	S	*	*			trans	-82.8	152.5	139.5	-81.1	-37.7	0	0	0	108.2
30	D	27.4	Very low	30	Very low	155 Å²	155	129.8 Å²	129.8	83%	0.829	73%	0.725	S	S	*	*	S	Bend	trans	67.9	93.1	174.3	-66	-22.3	0	0	0	119.8
31	S	27.2	Very low	29.3	Very low	108 Å²	108	135.1 Å²	135.1	76%	0.755	75%	0.747	S	S	*	*			trans	81.6	117.8	138.2	71.1	0	0	0	0	120.5
32	S	27.9	Very low	28.6	Very low	109 Å²	109	138.2 Å²	138.2	76%	0.762	76%	0.762	S	S	*	*			trans	53.5	111.2	157.8	60.8	0	0	0	0	118.7
33	I	28.4	Very low	28.3	Very low	173 Å²	173	140.6 Å²	140.6	89%	0.887	78%	0.775	S	S	*	*				-155	141.2	122.4	-97.2	144.1	0	0	0	108.2
34	S	26.8	Very low	27.9	Very low	105 Å²	105	147.8 Å²	147.8	73%	0.734	80%	0.797	S	S	*	*			trans	-74.5	161.7	-173.8	52.5	0	0	0	0	113.9
35	E	27.3	Very low	27.6	Very low	185 Å²	185	149.4 Å²	149.4	86%	0.864	81%	0.806	S	S	*	*			trans	-55.4	136.7	168.2	-59.1	176.4	139.4	0	0	111.6
36	N	26.4	Very low	27.4	Very low	145 Å²	145	148 Å²	148	78%	0.775	80%	0.803	S	S	*	*			trans	-171.8	98.3	147.5	-101.6	-25.2	0	0	0	108.9
37	I	27.6	Very low	27.2	Very low	177 Å²	177	148.7 Å²	148.7	91%	0.908	81%	0.806	S	S	*	*			trans	-121.7	82.9	165.2	-58.3	179.4	0	0	0	106.7
38	E	26.2	Very low	27.2	Very low	172 Å²	172	146.3 Å²	146.3	80%	0.804	80%	0.802	S	S	*	*			trans	-95.1	138.1	163.6	-73.9	-161.7	135.9	0	0	110.7
39	S	25.9	Very low	27.1	Very low	108 Å²	108	145.6 Å²	145.6	76%	0.755	81%	0.808	S	S	*	*			trans	27.6	116	160.6	67.1	0	0	0	0	119.4
40	E	28.2	Very low	27.2	Very low	208 Å²	208	145.2 Å²	145.2	97%	0.972	81%	0.806	S	S	*	*				-139.6	105.3	125	-123.9	174.8	-150	0	0	109.5
41	M	24.4	Very low	27.2	Very low	172 Å²	172	145.4 Å²	145.4	85%	0.847	81%	0.807	S	S	*	*			trans	-108.2	144.8	179.4	-167.3	175.5	-173.8	0	0	107.8
42	S	25.8	Very low	27.3	Very low	105 Å²	105	145.4 Å²	145.4	73%	0.734	81%	0.807	S	S	*	*			trans	53.7	119.6	174.5	58	0	0	0	0	118.1
43	D	27.7	Very low	27.4	Very low	164 Å²	164	147.8 Å²	147.8	88%	0.877	81%	0.81	S	S	*	*				-149	129.3	120.6	-112.9	-20.5	0	0	0	111.3
44	Y	23.5	Very low	27.6	Very low	213 Å²	213	145.8 Å²	145.8	84%	0.835	81%	0.806	S	S	*	*			trans	-118.2	101	-173.9	-149.1	-82.5	0	0	0	107.4	V46	Y44-V46 HydrophobicContact CD1-CG2 4.09Å; Y44-V46 PolarHBondContact O-N 3.3Å
45	V	29.6	Very low	27.7	Very low	132 Å²	132	146 Å²	146	80%	0.8	80%	0.803	S	S	*	*			trans	-90.5	106.6	177.5	-179.2	0	0	0	0	109.3
46	V	27.6	Very low	27.9	Very low	107 Å²	107	146 Å²	146	65%	0.648	80%	0.803	S	S	*	*			trans	-79.9	117.7	170.5	176.6	0	0	0	0	108.7	Y44 S48	Y44-V46 HydrophobicContact CD1-CG2 4.09Å; Y44-V46 PolarHBondContact O-N 3.3Å; V46-S48 PolarHBondContact O-N 3.42Å
47	E	28.4	Very low	28.1	Very low	188 Å²	188	147 Å²	147	88%	0.879	80%	0.803	S	S	*	*			trans	-72.5	107.6	165.4	-75.4	-170.7	154.6	0	0	109.4	G49	E47-G49 PolarHBondContact O-N 2.93Å; E47-G49 VanDerWaalsContact O-N 3.1Å
48	S	28.1	Very low	28.4	Very low	100 Å²	100	144.4 Å²	144.4	70%	0.699	80%	0.801	S	S	*	*			trans	-76.4	91.5	176.9	38.3	0	0	0	0	111.3	V46 N50	V46-S48 PolarHBondContact O-N 3.42Å; S48-N50 PolarHBondContact O-N 3.19Å
49	G	28.5	Very low	28.7	Very low	74 Å²	74	139.4 Å²	139.4	76%	0.763	80%	0.795	S	S	*	*			trans	-67.9	94.9	165.2	0	0	0	0	0	111.1	E47 N51	E47-G49 PolarHBondContact O-N 2.93Å; E47-G49 VanDerWaalsContact O-N 3.1Å; G49-N51 PolarHBondContact O-N 2.85Å; G49-N51 VanDerWaalsContact O-N 3.08Å
50	N	28.1	Very low	29	Very low	150 Å²	150	139.3 Å²	139.3	80%	0.802	79%	0.794	S	S	*	*			trans	-57.9	110.5	173.5	-78.8	-22.4	0	0	0	111.1	S48	S48-N50 PolarHBondContact O-N 3.19Å
51	N	27.5	Very low	29.1	Very low	158 Å²	158	136.6 Å²	136.6	85%	0.845	79%	0.787	S	S	*	*			trans	-151.8	86	161.5	-100.3	-24.3	0	0	0	109.7	G49	G49-N51 PolarHBondContact O-N 2.85Å; G49-N51 VanDerWaalsContact O-N 3.08Å
52	S	29.8	Very low	29.5	Very low	109 Å²	109	133.5 Å²	133.5	76%	0.762	78%	0.782	S	S	*	*			trans	-128	86.4	166.9	59.9	0	0	0	0	108.9
53	I	29.6	Very low	29.6	Very low	158 Å²	158	137.4 Å²	137.4	81%	0.81	79%	0.789	S	S	*	*			trans	-81.7	115.4	161	-67	171.1	0	0	0	105.9
54	T	32.1	Very low	29.9	Very low	132 Å²	132	134.9 Å²	134.9	81%	0.81	78%	0.783	S	S	*	*			trans	-87	131.8	171.1	43.6	0	0	0	0	110.9
55	T	29.1	Very low	30.2	Very low	110 Å²	110	134.3 Å²	134.3	68%	0.675	79%	0.785	S	S	*	*			trans	-67.8	155.3	-177.2	-18	0	0	0	0	113.7	E57	T55-E57 HydrophobicContact CG2-CG 4.05Å
56	E	32.3	Very low	30.2	Very low	184 Å²	184	132.9 Å²	132.9	86%	0.86	79%	0.787	S	S	*	*				-166.1	109.8	112.4	-97.1	168.8	-154.4	0	0	105.6
57	E	30.7	Very low	30.2	Very low	166 Å²	166	134.8 Å²	134.8	78%	0.776	79%	0.789	S	S	*	*				58.1	127.7	89.8	-68.8	-163.3	-169.6	0	0	112.8	T55	T55-E57 HydrophobicContact CG2-CG 4.05Å
58	S	33.7	Very low	30.2	Very low	123 Å²	123	135.5 Å²	135.5	86%	0.86	78%	0.784	S	S	*	*			cis	-165.9	176.2	19.4	46.7	0	0	0	0	110.6
59	G	31.7	Very low	30.4	Very low	67 Å²	67	135.4 Å²	135.4	69%	0.691	78%	0.783	S	S	*	*			trans	129.9	61.6	158.7	0	0	0	0	0	120.4
60	S	32.3	Very low	30.5	Very low	105 Å²	105	138.2 Å²	138.2	73%	0.734	78%	0.78	S	S	*	*			trans	26.9	130.3	142.2	61.3	0	0	0	0	123.8
61	N	31	Very low	30.6	Very low	152 Å²	152	137.1 Å²	137.1	81%	0.813	78%	0.775	S	S	*	*			trans	90.1	123.9	133	-69.1	-1.4	0	0	0	123.8
62	S	33.7	Very low	30.8	Very low	106 Å²	106	134.1 Å²	134.1	74%	0.741	77%	0.766	S	S	*	*			trans	61.5	110.4	139.5	61.3	0	0	0	0	121.9
63	E	27.5	Very low	30.8	Very low	188 Å²	188	137.9 Å²	137.9	88%	0.879	77%	0.769	S	S	*	*			trans	37.7	116.6	132.3	-59.1	-166.8	149.7	0	0	120.9
64	S	32.3	Very low	31	Very low	110 Å²	110	138.8 Å²	138.8	77%	0.769	77%	0.774	S	S	*	*				136.5	121.8	114.5	69.8	0	0	0	0	115.8
65	K	30.4	Very low	30.8	Very low	202 Å²	202	137.5 Å²	137.5	88%	0.878	77%	0.771	S	S	*	*			trans	45.7	140.1	144	-74.2	-177.7	175.3	176.1	0	122.5
66	A	30.2	Very low	31.3	Very low	101 Å²	101	137.8 Å²	137.8	84%	0.835	78%	0.775	S	S	*	*			trans	70.9	149.7	154.7	0	0	0	0	0	116.3
67	E	26.9	Very low	31.3	Very low	147 Å²	147	133 Å²	133	69%	0.687	77%	0.767	S	S	*	*			cis	172.4	159.3	-22.6	-154.6	-176.7	-113.4	0	0	102.3
68	R	29.7	Very low	31.4	Very low	204 Å²	204	132.4 Å²	132.4	77%	0.77	77%	0.769	S	S	*	*			trans	74.7	109.9	166.3	-64.2	169.8	-166	-138	-4.8	116.2
69	S	31.6	Very low	31.4	Very low	98 Å²	98	131 Å²	131	69%	0.685	76%	0.759	S	S	*	*				81.8	143.7	74.4	83.8	0	0	0	0	112.1
70	N	29.5	Very low	31.4	Very low	132 Å²	132	133.1 Å²	133.1	71%	0.706	76%	0.763	S	S	*	*			cis	-166.7	179.5	8.8	-135.5	25.8	0	0	0	111.2
71	D	32.1	Very low	31.5	Very low	127 Å²	127	133.3 Å²	133.3	68%	0.679	77%	0.765	S	S	*	*			trans	70.6	110.8	153.6	-63.6	-39	0	0	0	118.7
72	S	31.5	Very low	31.6	Very low	96 Å²	96	132 Å²	132	67%	0.671	76%	0.762	S	S	*	*				97.3	152.3	71.7	90.7	0	0	0	0	110.6
73	K	29.6	Very low	31.3	Very low	187 Å²	187	129.9 Å²	129.9	81%	0.813	76%	0.757	S	S	*	*			cis	-167	149.6	9	-136.2	161.8	-172.3	169.8	0	106.8
74	L	33.5	Very low	31.3	Very low	177 Å²	177	126.3 Å²	126.3	93%	0.927	75%	0.753	S	S	*	*			trans	162.3	107.2	138.4	-88.9	157.9	0	0	0	112.2
75	S	28.6	Very low	31	Very low	105 Å²	105	128.4 Å²	128.4	73%	0.734	76%	0.755	S	S	*	*			trans	-92.4	177.2	154.9	58.2	0	0	0	0	108.1
76	P	39.3	Very low	30.9	Very low	117 Å²	117	125.6 Å²	125.6	76%	0.76	75%	0.747	S	S	*	*				-156.7	-163.6	50.1	44	-20.5	0	0	0	117.3
77	A	31.4	Very low	30.9	Very low	84 Å²	84	128.1 Å²	128.1	69%	0.694	75%	0.747	S	S	*	*			trans	70.1	138.7	158.7	0	0	0	0	0	117
78	N	33	Very low	31	Very low	153 Å²	153	129.7 Å²	129.7	82%	0.818	75%	0.754	S	S	*	*			cis	-154.8	165.4	9.5	-98.2	-22	0	0	0	107.6
79	S	34.2	Very low	31.1	Very low	93 Å²	93	125.4 Å²	125.4	65%	0.65	75%	0.753	S	S	*	*			cis	-172.9	140.9	-7.2	46.3	0	0	0	0	110.2
80	S	31	Very low	30.8	Very low	112 Å²	112	126.2 Å²	126.2	78%	0.783	76%	0.757	S	S	*	*			trans	41	139.2	143.7	65.6	0	0	0	0	121.5
81	S	33.9	Very low	30.7	Very low	109 Å²	109	131.7 Å²	131.7	76%	0.762	77%	0.768	S	S	*	*				176.3	160.3	52.7	146.1	0	0	0	0	109.7
82	T	33	Very low	30.5	Very low	125 Å²	125	134.9 Å²	134.9	77%	0.767	78%	0.776	S	S	*	*			cis	-171.3	142.9	-17.9	-69.3	0	0	0	0	108.5
83	G	28.7	Very low	30.4	Very low	61 Å²	61	140.6 Å²	140.6	63%	0.629	79%	0.789	S	S	*	*			trans	81.8	131.3	164.5	0	0	0	0	0	116.1
84	S	26.2	Very low	30.4	Very low	113 Å²	113	136.4 Å²	136.4	79%	0.79	78%	0.783	S	S	*	*			cis	61.5	135	19.5	113.5	0	0	0	0	114
85	L	26.4	Very low	30.1	Very low	154 Å²	154	133 Å²	133	81%	0.806	77%	0.774	S	S	*	*			cis	-166.2	175	-4.5	-133.6	169.7	0	0	0	107.8
86	I	29	Very low	30.1	Very low	142 Å²	142	135 Å²	135	73%	0.728	78%	0.775	S	S	*	*			trans	98.5	136.5	162.6	-59	154.6	0	0	0	118.8
87	D	29.7	Very low	29.6	Very low	155 Å²	155	137.8 Å²	137.8	83%	0.829	78%	0.775	S	S	*	*			trans	72.2	112.3	165.1	-66.2	-15.8	0	0	0	124.2
88	E	28.5	Very low	29.4	Very low	179 Å²	179	139.7 Å²	139.7	84%	0.836	78%	0.778	S	S	*	*			trans	-67.4	159.4	147.5	-92.7	-162.7	127.5	0	0	110.7
89	P	33	Very low	29.1	Very low	115 Å²	115	140.7 Å²	140.7	75%	0.747	78%	0.777	S	S	*	*			cis	-150	171.3	41.8	39.8	-18	0	0	0	119.3
90	C	25	Very low	28.5	Very low	114 Å²	114	146.7 Å²	146.7	77%	0.77	79%	0.786	S	S	*	*			trans	42.7	103.6	150.4	-69	0	0	0	0	121.2
91	R	26.4	Very low	28.2	Very low	247 Å²	247	146.5 Å²	146.5	93%	0.932	78%	0.782	S	S	*	*				-178.7	161.3	108.4	-106	175.3	169.5	178.3	-2	114.8
92	K	28.6	Very low	27.9	Very low	194 Å²	194	148 Å²	148	84%	0.843	79%	0.786	S	S	*	*			trans	69.4	71	170.5	-63.3	178.1	-177.8	175.8	0	116.9	S94	K92-S94 VanDerWaalsContact C-N 3.34Å; K92-S94 PolarHBondContact O-N 3.27Å
93	K	28.9	Very low	27.6	Very low	216 Å²	216	149.6 Å²	149.6	94%	0.939	79%	0.789	S	S	*	*			trans	-62.6	101.2	140	-77.1	-176.5	177.1	177.8	0	107.7	S95	K93-S95 PolarHBondContact O-N 2.94Å
94	S	29.9	Very low	27.5	Very low	100 Å²	100	149.9 Å²	149.9	70%	0.699	79%	0.792	S	S	*	*			trans	-59.6	132.7	170	49	0	0	0	0	109.3	K92 I96	K92-S94 VanDerWaalsContact C-N 3.34Å; K92-S94 PolarHBondContact O-N 3.27Å; S94-I96 PolarHBondContact O-N 3.09Å
95	S	26.7	Very low	27.6	Very low	106 Å²	106	151.3 Å²	151.3	74%	0.741	79%	0.791	S	S	*	*			trans	-63.7	99.1	173.2	43.1	0	0	0	0	109.8	K93 K97	K93-S95 PolarHBondContact O-N 2.94Å; S95-K97 PolarHBondContact O-N 3.05Å
96	I	30.2	Very low	27.7	Very low	146 Å²	146	154.3 Å²	154.3	75%	0.749	80%	0.797	S	S	*	*			trans	-66	90.6	159.2	-61.4	177.8	0	0	0	105.6	S94 V98	S94-I96 PolarHBondContact O-N 3.09Å; I96-V98 HydrophobicContact CG2-CG2 4.29Å; I96-V98 PolarHBondContact O-N 3.02Å
97	K	28.2	Very low	27.7	Very low	176 Å²	176	150 Å²	150	77%	0.765	79%	0.787	S	S	*	*			trans	-59	94.4	157.4	-76.3	-179.7	177.3	176.4	0	105.5	S95 H99	S95-K97 PolarHBondContact O-N 3.05Å; K97-H99 VanDerWaalsContact C-N 3.33Å; K97-H99 PolarHBondContact O-N 2.88Å
98	V	26.9	Very low	27.6	Very low	124 Å²	124	147.9 Å²	147.9	75%	0.752	78%	0.783	S	S	*	*			trans	-55.9	106.6	164.1	176.4	0	0	0	0	105.2	I96 R100	I96-V98 HydrophobicContact CG2-CG2 4.29Å; I96-V98 PolarHBondContact O-N 3.02Å; V98-R100 PolarHBondContact O-N 2.82Å
99	H	26.1	Very low	27.9	Very low	174 Å²	174	146 Å²	146	81%	0.806	78%	0.779	S	S	*	*			trans	-59.1	105.1	173.9	-102.3	-81.8	0	0	0	106.6	K97 P101	K97-H99 VanDerWaalsContact C-N 3.33Å; K97-H99 PolarHBondContact O-N 2.88Å; H99-P101 VanDerWaalsContact O-CD 3.27Å; H99-P101 WeakPolarHBondContact O-CD 3.5Å; H99-P101 VanDerWaalsContact O-N 3.16Å
100	R	22.4	Very low	27.9	Very low	219 Å²	219	144.4 Å²	144.4	83%	0.826	76%	0.758	S	S	*	*			trans	-51.8	122	158	-92.2	-178	169	168.4	-3.1	105.9	V98 V102	V98-R100 PolarHBondContact O-N 2.82Å; R100-V102 PolarHBondContact O-N 2.88Å
101	P	25.5	Very low	28.7	Very low	108 Å²	108	139.1 Å²	139.1	70%	0.701	72%	0.722	S	S	*	*			trans	-59.2	115.7	165.4	-17.8	31.2	0	0	0	106.3	H99 L103	H99-P101 VanDerWaalsContact O-CD 3.27Å; H99-P101 WeakPolarHBondContact O-CD 3.5Å; H99-P101 VanDerWaalsContact O-N 3.16Å; P101-L103 PolarHBondContact O-N 2.88Å
102	V	26.2	Very low	29.4	Very low	141 Å²	141	128.1 Å²	128.1	86%	0.855	68%	0.682	S	S	*	*			trans	-72.9	81.3	165.7	178.7	0	0	0	0	105.3	R100 G104	R100-V102 PolarHBondContact O-N 2.88Å; V102-G104 PolarHBondContact O-N 3.12Å
103	L	27.9	Very low	30.1	Very low	157 Å²	157	119.2 Å²	119.2	82%	0.822	64%	0.644	S	S	*	*			trans	-74.9	70.7	174.3	-118.6	158.5	0	0	0	108.1	P101 D105	P101-L103 PolarHBondContact O-N 2.88Å; L103-D105 VanDerWaalsContact C-N 3.3Å; L103-D105 PolarHBondContact O-N 2.8Å
104	G	26.3	Very low	30.8	Very low	67 Å²	67	109.3 Å²	109.3	69%	0.691	60%	0.602	S	S	*	*			trans	-73.9	89.9	159.7	0	0	0	0	0	108.2	V102	V102-G104 PolarHBondContact O-N 3.12Å
105	D	28.8	Very low	31.6	Very low	143 Å²	143	110.4 Å²	110.4	77%	0.765	59%	0.59	S	S	*	*				-149.3	134.4	128.7	-141.4	-22	0	0	0	112.2	L103 G107	L103-D105 VanDerWaalsContact C-N 3.3Å; L103-D105 PolarHBondContact O-N 2.8Å; D105-G107 PolarHBondContact O-N 2.91Å
106	K	27.5	Very low	32.6	Very low	218 Å²	218	106.3 Å²	106.3	95%	0.948	56%	0.559	S	S	*	*			trans	-100.5	60.8	-177.8	-73.6	-177.2	178.1	176.5	0	109.9
107	G	28.2	Very low	33.1	Very low	50 Å²	50	99.4 Å²	99.4	52%	0.515	52%	0.523	S	S	.	.			trans	-131.4	131.1	-179.1	0	0	0	0	0	113.6	D105 L109	D105-G107 PolarHBondContact O-N 2.91Å; G107-L109 PolarHBondContact O-N 2.86Å
108	C	28.9	Very low	33.9	Very low	111 Å²	111	95.7 Å²	95.7	75%	0.75	51%	0.505	S	S	*	.			trans	53.8	48.2	155.9	-69.1	0	0	0	0	120.6
109	L	33.7	Very low	34.7	Very low	140 Å²	140	93.6 Å²	93.6	73%	0.733	50%	0.495	S	S	*	.			trans	-107.8	50.2	162.3	-71.1	179.3	0	0	0	113.5	G107	G107-L109 PolarHBondContact O-N 2.86Å
110	R	34.5	Very low	35.3	Very low	81 Å²	81	86.7 Å²	86.7	31%	0.306	47%	0.466	S	S	.	.	S	Bend	trans	-129.3	138.1	176.6	-83.3	178.6	174.2	-121.1	14.1	111.3	V114 R115 R118 E565	R110-V114 HydrophobicContact CB-CB 4.42Å; R110-V114 HydrophobicContact CB-CG1 3.67Å; R110-V114 HydrophobicContact CG-CG1 3.84Å; R110-R115 PolarHBondContact O-NE 3.03Å; R110-R115 PolarHBondContact O-NH2 3.19Å; R110-R118 VanDerWaalsContact CZ-NH2 3.28Å; R110-E565 IonicContact CZ-OE1 2.79Å; R110-E565 VanDerWaalsContact CZ-OE1 3.25Å; R110-E565 VanDerWaalsContact NH1-CG 3.25Å; R110-E565 IonicContact NH1-OE1 3.18Å; R110-E565 PolarHBondContact NH1-OE1 3.28Å; R110-E565 IonicContact NH2-OE1 3.64Å; R110-E565 PolarHBondContact NH2-OE1 3.25Å; R110-E565 VanDerWaalsContact NH2-OE1 3.12Å
111	S	41.4	Very low	36.4	Very low	4 Å²	4	81.7 Å²	81.7	3%	0.028	45%	0.447	C	S	.	.			trans	-61.1	153.8	-172.6	83.6	0	0	0	0	112.8	F113 V114 R115	S111-F113 VanDerWaalsContact C-N 3.27Å; S111-F113 PolarHBondContact O-N 3.02Å; S111-V114 CarbonylContact O-C 3.53Å; S111-V114 WeakPolarHBondContact O-CA 3.47Å; S111-V114 WeakPolarHBondContact O-CB 3.44Å; S111-V114 PolarHBondContact O-N 3.02Å; S111-V114 VanDerWaalsContact O-N 3.07Å; S111-V114 WeakPolarHBondContact OG-CB 3.47Å; S111-V114 WeakPolarHBondContact OG-CG2 3.09Å; S111-V114 PolarHBondContact OG-N 3.01Å; S111-R115 WeakPolarHBondContact O-CG 3.27Å; S111-R115 PolarHBondContact O-N 2.92Å
112	P	41.2	Very low	37	Very low	15 Å²	15	78.7 Å²	78.7	10%	0.097	44%	0.436	C	S	.	.	H	α-helix	trans	-56.2	-43.3	173.9	-23.5	34.3	0	0	0	111.7	A12 K13 L16 V114 R115 Y116	A12-P112 WeakPolarHBondContact O-CB 3.08Å; K13-P112 HydrophobicContact CB-CG 4.44Å; K13-P112 HydrophobicContact CG-CG 3.83Å; L16-P112 HydrophobicContact CB-CB 3.44Å; L16-P112 VanDerWaalsContact CB-CB 3.44Å; L16-P112 HydrophobicContact CD1-CB 3.75Å; L16-P112 WeakPolarHBondContact CD1-O 3.39Å; L16-P112 HydrophobicContact CD2-CB 4.07Å; L16-P112 HydrophobicContact CG-CB 3.92Å; P112-V114 PolarHBondContact O-N 3.24Å; P112-R115 CarbonylContact O-C 3.6Å; P112-R115 WeakPolarHBondContact O-CA 3.37Å; P112-R115 WeakPolarHBondContact O-CB 3.36Å; P112-R115 PolarHBondContact O-N 2.99Å; P112-Y116 PolarHBondContact O-N 2.75Å
113	F	42.1	Very low	37.7	Very low	8 Å²	8	81.6 Å²	81.6	4%	0.035	43%	0.432	C	S	.	.	H	α-helix	trans	-58.9	-43.6	171.4	179.4	-94.8	0	0	0	112.8	S111 R115 Y116 M117 M476 I504 W519	S111-F113 VanDerWaalsContact C-N 3.27Å; S111-F113 PolarHBondContact O-N 3.02Å; F113-R115 PolarHBondContact O-N 3.1Å; F113-Y116 HydrophobicContact CD2-CD1 4.4Å; F113-Y116 HydrophobicContact CE2-CD1 4.43Å; F113-Y116 WeakPolarHBondContact O-CB 3.11Å; F113-Y116 PolarHBondContact O-N 2.95Å; F113-Y116 VanDerWaalsContact O-N 3.13Å; F113-M117 HydrophobicContact CD1-CG 4.01Å; F113-M117 HydrophobicContact CE1-CG 3.63Å; F113-M117 HydrophobicContact CE1-SD 4.24Å; F113-M117 HydrophobicContact CE2-CG 4.26Å; F113-M117 HydrophobicContact CE2-SD 4.17Å; F113-M117 HydrophobicContact CG-CG 4.48Å; F113-M117 HydrophobicContact CZ-CE 4.34Å; F113-M117 HydrophobicContact CZ-CG 3.77Å; F113-M117 HydrophobicContact CZ-SD 3.78Å; F113-M117 VanDerWaalsContact O-CG 3.27Å; F113-M117 WeakPolarHBondContact O-CG 3.2Å; F113-M117 PolarHBondContact O-N 3.37Å; F113-M476 HydrophobicContact CD2-CE 4.16Å; F113-M476 HydrophobicContact CD2-SD 4.46Å; F113-M476 HydrophobicContact CE2-CG 4.32Å; F113-M476 HydrophobicContact CE2-SD 4.3Å; F113-I504 HydrophobicContact CD1-CD1 3.75Å; F113-I504 HydrophobicContact CE1-CD1 3.65Å; F113-W519 HydrophobicContact CZ-CH2 4.3Å; F113-W519 HydrophobicContact CZ-CZ2 4.17Å
114	V	44.4	Very low	38.6	Very low	8 Å²	8	77.4 Å²	77.4	5%	0.048	41%	0.41	C	S	.	.	H	α-helix	trans	-60.9	-28.7	172.6	162.4	0	0	0	0	112.2	R110 S111 P112 R118	R110-V114 HydrophobicContact CB-CB 4.42Å; R110-V114 HydrophobicContact CB-CG1 3.67Å; R110-V114 HydrophobicContact CG-CG1 3.84Å; S111-V114 CarbonylContact O-C 3.53Å; S111-V114 WeakPolarHBondContact O-CA 3.47Å; S111-V114 WeakPolarHBondContact O-CB 3.44Å; S111-V114 PolarHBondContact O-N 3.02Å; S111-V114 VanDerWaalsContact O-N 3.07Å; S111-V114 WeakPolarHBondContact OG-CB 3.47Å; S111-V114 WeakPolarHBondContact OG-CG2 3.09Å; S111-V114 PolarHBondContact OG-N 3.01Å; P112-V114 PolarHBondContact O-N 3.24Å; V114-R118 WeakPolarHBondContact O-CB 3.33Å; V114-R118 WeakPolarHBondContact O-CG 3.42Å; V114-R118 PolarHBondContact O-N 3.14Å
115	R	46.2	Very low	39.6	Very low	122 Å²	122	79.4 Å²	79.4	46%	0.46	40%	0.404	S	S	.	.	H	α-helix	trans	-75.1	-41.5	172.8	-62.9	175	-152.3	-172.8	3.3	111.5	L16 R110 S111 P112 F113 R118 S119	L16-R115 HydrophobicContact CD1-CB 4.49Å; R110-R115 PolarHBondContact O-NE 3.03Å; R110-R115 PolarHBondContact O-NH2 3.19Å; S111-R115 WeakPolarHBondContact O-CG 3.27Å; S111-R115 PolarHBondContact O-N 2.92Å; P112-R115 CarbonylContact O-C 3.6Å; P112-R115 WeakPolarHBondContact O-CA 3.37Å; P112-R115 WeakPolarHBondContact O-CB 3.36Å; P112-R115 PolarHBondContact O-N 2.99Å; F113-R115 PolarHBondContact O-N 3.1Å; R115-R118 CarbonylContact O-C 3.44Å; R115-R118 WeakPolarHBondContact O-CA 3.29Å; R115-R118 WeakPolarHBondContact O-CB 3.48Å; R115-R118 PolarHBondContact O-N 2.67Å; R115-S119 PolarHBondContact O-N 3.24Å
116	Y	47.5	Very low	40.7	Very low	20 Å²	20	80.8 Å²	80.8	8%	0.078	40%	0.399	C	S	.	.	H	α-helix	trans	-58.2	-51	172.4	164.3	-115	0	0	0	111.9	I19 P112 F113 R118 S119 C120	I19-Y116 HydrophobicContact CD1-CD1 4.28Å; I19-Y116 HydrophobicContact CD1-CE1 4.35Å; I19-Y116 HydrophobicContact CD1-CG 4.48Å; I19-Y116 HydrophobicContact CG2-CD2 3.37Å; I19-Y116 HydrophobicContact CG2-CE2 3.35Å; I19-Y116 HydrophobicContact CG2-CG 4.04Å; P112-Y116 PolarHBondContact O-N 2.75Å; F113-Y116 HydrophobicContact CD2-CD1 4.4Å; F113-Y116 HydrophobicContact CE2-CD1 4.43Å; F113-Y116 WeakPolarHBondContact O-CB 3.11Å; F113-Y116 PolarHBondContact O-N 2.95Å; F113-Y116 VanDerWaalsContact O-N 3.13Å; Y116-R118 PolarHBondContact O-N 2.9Å; Y116-S119 WeakPolarHBondContact CA-OG 3.35Å; Y116-S119 PolarHBondContact O-N 3.17Å; Y116-S119 PolarHBondContact O-OG 3.02Å; Y116-C120 WeakPolarHBondContact CE2-SG 3.03Å; Y116-C120 PolarHBondContact O-N 3.33Å; Y116-C120 VanDerWaalsContact O-N 3.13Å; Y116-C120 PolarHBondContact O-SG 2.87Å; Y116-C120 VanDerWaalsContact O-SG 3.38Å
117	M	42.2	Very low	42.4	Very low	1 Å²	1	73.6 Å²	73.6	1%	0.005	37%	0.371	C	S	.	.	H	α-helix	trans	-62.8	-13.7	175.5	-58.6	-61.9	-77.2	0	0	113.3	F113 W519 G523 E524 P563	F113-M117 HydrophobicContact CD1-CG 4.01Å; F113-M117 HydrophobicContact CE1-CG 3.63Å; F113-M117 HydrophobicContact CE1-SD 4.24Å; F113-M117 HydrophobicContact CE2-CG 4.26Å; F113-M117 HydrophobicContact CE2-SD 4.17Å; F113-M117 HydrophobicContact CG-CG 4.48Å; F113-M117 HydrophobicContact CZ-CE 4.34Å; F113-M117 HydrophobicContact CZ-CG 3.77Å; F113-M117 HydrophobicContact CZ-SD 3.78Å; F113-M117 VanDerWaalsContact O-CG 3.27Å; F113-M117 WeakPolarHBondContact O-CG 3.2Å; F113-M117 PolarHBondContact O-N 3.37Å; M117-W519 HydrophobicContact CE-CZ2 4.5Å; M117-G523 WeakPolarHBondContact CE-O 3.3Å; M117-E524 WeakPolarHBondContact CE-O 3.47Å; M117-P563 HydrophobicContact CE-CB 4.21Å; M117-P563 HydrophobicContact CE-CG 3.73Å
118	R	44.9	Very low	44	Very low	99 Å²	99	72.1 Å²	72.1	37%	0.374	35%	0.352	S	S	.	.	H	α-helix	trans	-95.5	-25	169.8	-84.3	178.5	156.6	-150.2	-5.2	113.7	R110 V114 R115 Y116 R121 E565	R110-R118 VanDerWaalsContact CZ-NH2 3.28Å; V114-R118 WeakPolarHBondContact O-CB 3.33Å; V114-R118 WeakPolarHBondContact O-CG 3.42Å; V114-R118 PolarHBondContact O-N 3.14Å; R115-R118 CarbonylContact O-C 3.44Å; R115-R118 WeakPolarHBondContact O-CA 3.29Å; R115-R118 WeakPolarHBondContact O-CB 3.48Å; R115-R118 PolarHBondContact O-N 2.67Å; Y116-R118 PolarHBondContact O-N 2.9Å; R118-R121 VanDerWaalsContact O-CB 3.3Å; R118-R121 WeakPolarHBondContact O-CB 3.36Å; R118-R121 VanDerWaalsContact O-CD 3.22Å; R118-R121 WeakPolarHBondContact O-CD 3.39Å; R118-R121 WeakPolarHBondContact O-CG 3.25Å; R118-E565 IonicContact CZ-OE1 3.92Å; R118-E565 IonicContact NE-OE1 3.25Å; R118-E565 PolarHBondContact NE-OE1 2.84Å; R118-E565 IonicContact NH2-OE1 2.86Å; R118-E565 PolarHBondContact NH2-OE1 3.18Å
119	S	42.7	Very low	45.7	Very low	80 Å²	80	70.3 Å²	70.3	56%	0.559	33%	0.331	S	S	*	.	H	α-helix	trans	-78.1	-27.8	176.6	58.2	0	0	0	0	112	R115 Y116 R121	R115-S119 PolarHBondContact O-N 3.24Å; Y116-S119 WeakPolarHBondContact CA-OG 3.35Å; Y116-S119 PolarHBondContact O-N 3.17Å; Y116-S119 PolarHBondContact O-OG 3.02Å; S119-R121 PolarHBondContact O-N 2.93Å
120	C	39.9	Very low	47.5	Very low	29 Å²	29	66.3 Å²	66.3	20%	0.196	32%	0.315	C	S	.	.			trans	-67.5	27.8	167.1	-49.1	0	0	0	0	113	Y116 G122 E524 R612	Y116-C120 WeakPolarHBondContact CE2-SG 3.03Å; Y116-C120 PolarHBondContact O-N 3.33Å; Y116-C120 VanDerWaalsContact O-N 3.13Å; Y116-C120 PolarHBondContact O-SG 2.87Å; Y116-C120 VanDerWaalsContact O-SG 3.38Å; C120-G122 VanDerWaalsContact C-N 3.28Å; C120-G122 PolarHBondContact O-N 3.07Å; C120-E524 HydrophobicContact CB-CG 3.87Å; C120-E524 WeakPolarHBondContact CB-OE1 3.43Å; C120-R612 VanDerWaalsContact O-CZ 3.29Å; C120-R612 PolarHBondContact O-NH2 3.04Å
121	R	43.6	Very low	49.2	Very low	114 Å²	114	63.3 Å²	63.3	43%	0.43	31%	0.305	S	S	.	.			trans	-84.7	66.9	-178.6	-83.9	178.2	-175.3	-149.6	-5	111.8	R118 S119 L562 E565 R612	R118-R121 VanDerWaalsContact O-CB 3.3Å; R118-R121 WeakPolarHBondContact O-CB 3.36Å; R118-R121 VanDerWaalsContact O-CD 3.22Å; R118-R121 WeakPolarHBondContact O-CD 3.39Å; R118-R121 WeakPolarHBondContact O-CG 3.25Å; S119-R121 PolarHBondContact O-N 2.93Å; R121-L562 VanDerWaalsContact NH2-CD2 3.25Å; R121-E565 IonicContact CZ-OE2 3.12Å; R121-E565 IonicContact NH1-OE2 3.02Å; R121-E565 VanDerWaalsContact NH2-CD 3.34Å; R121-E565 IonicContact NH2-OE1 2.87Å; R121-E565 IonicContact NH2-OE2 3.19Å; R121-E565 PolarHBondContact NH2-OE2 3.26Å; R121-R612 VanDerWaalsContact CG-NH1 3.28Å
122	G	39.6	Very low	50.9	Low	45 Å²	45	63.6 Å²	63.6	46%	0.464	31%	0.307	S	S	.	.			trans	-66.1	143.7	163.5	0	0	0	0	0	111.9	C120	C120-G122 VanDerWaalsContact C-N 3.28Å; C120-G122 PolarHBondContact O-N 3.07Å
123	R	40	Very low	52.9	Low	201 Å²	201	63.9 Å²	63.9	76%	0.758	31%	0.309	S	S	*	.			trans	-107.6	126.3	159.6	-83.6	-170.3	179.2	179.6	3.1	108.1
124	I	46.3	Very low	54.8	Low	70 Å²	70	66 Å²	66	36%	0.359	33%	0.328	S	S	.	.			trans	-122.4	81.2	170.6	-52	179.1	0	0	0	107.6	R126 I131	I124-R126 VanDerWaalsContact C-N 3.3Å; I124-R126 HydrophobicContact CG2-CB 3.9Å; I124-R126 HydrophobicContact CG2-CG 3.89Å; I124-R126 PolarHBondContact O-N 3.05Å; I124-I131 HydrophobicContact CG2-CD1 3.95Å; I124-I131 HydrophobicContact CG2-CG1 4.29Å
125	D	48.4	Very low	56.6	Low	108 Å²	108	67.3 Å²	67.3	58%	0.578	33%	0.333	S	S	*	.			trans	-84.7	79.2	161.6	-75	-35.5	0	0	0	106.2	K613	D125-K613 IonicContact OD1-NZ 3.71Å; D125-K613 IonicContact OD2-NZ 2.69Å; D125-K613 PolarHBondContact OD2-NZ 3Å
126	R	51.2	Low	58.5	Low	173 Å²	173	61.5 Å²	61.5	65%	0.653	31%	0.311	S	S	*	.			trans	-127	154	173.3	-69.6	-173	-179.2	-175.2	0.8	109.9	I124 I131	I124-R126 VanDerWaalsContact C-N 3.3Å; I124-R126 HydrophobicContact CG2-CB 3.9Å; I124-R126 HydrophobicContact CG2-CG 3.89Å; I124-R126 PolarHBondContact O-N 3.05Å; R126-I131 HydrophobicContact CB-CD1 3.95Å; R126-I131 HydrophobicContact CB-CG1 3.77Å; R126-I131 WeakPolarHBondContact O-CD1 3.31Å
127	D	63.1	Low	60.4	Low	67 Å²	67	63.6 Å²	63.6	36%	0.358	32%	0.324	S	S	.	.			trans	-62.6	130.6	176.7	178	10.1	0	0	0	110.4	K129 S130 I131 S830	D127-K129 PolarHBondContact O-N 2.88Å; D127-K129 VanDerWaalsContact O-N 3.11Å; D127-K129 PolarHBondContact OD1-N 2.8Å; D127-S130 WeakPolarHBondContact O-CA 3.49Å; D127-S130 WeakPolarHBondContact O-CB 3.5Å; D127-S130 PolarHBondContact O-N 3.01Å; D127-S130 PolarHBondContact O-OG 2.69Å; D127-I131 PolarHBondContact O-N 3.29Å; D127-I131 VanDerWaalsContact O-N 3.1Å; D127-S830 VanDerWaalsContact OD1-CB 3.28Å; D127-S830 WeakPolarHBondContact OD1-CB 3.49Å
128	P	62	Low	62.5	Low	18 Å²	18	68.8 Å²	68.8	12%	0.117	35%	0.348	C	S	.	.	H	α-helix	trans	-45.4	-39.9	174.2	-33.9	38.5	0	0	0	114.1	S130 I131 A132 E607	P128-S130 PolarHBondContact O-N 3.05Å; P128-I131 PolarHBondContact O-N 2.99Å; P128-I131 VanDerWaalsContact O-N 3.09Å; P128-A132 PolarHBondContact O-N 2.88Å; P128-E607 VanDerWaalsContact CG-OE1 3.25Å; P128-E607 WeakPolarHBondContact CG-OE1 3.42Å
129	K	65.8	Low	64.3	Low	74 Å²	74	64.4 Å²	64.4	32%	0.322	33%	0.332	S	S	.	.	H	α-helix	trans	-62.1	-25.7	177.3	-157.3	168.5	-177.1	174.6	0	114	D127 P133 D824 L828 T829	D127-K129 PolarHBondContact O-N 2.88Å; D127-K129 VanDerWaalsContact O-N 3.11Å; D127-K129 PolarHBondContact OD1-N 2.8Å; K129-P133 WeakPolarHBondContact O-CD 3.4Å; K129-P133 WeakPolarHBondContact O-CG 3.13Å; K129-D824 WeakPolarHBondContact CE-OD2 3.25Å; K129-D824 IonicContact NZ-OD2 2.79Å; K129-D824 PolarHBondContact NZ-OD2 2.79Å; K129-L828 WeakPolarHBondContact CB-O 3.44Å; K129-L828 PolarHBondContact N-O 2.82Å; K129-T829 HydrophobicContact CD-CG2 4.21Å
130	S	70	Confident	66.4	Low	56 Å²	56	60.7 Å²	60.7	39%	0.392	31%	0.306	S	S	.	.	H	α-helix	trans	-89.9	-26.8	174.1	73.5	0	0	0	0	113.5	D127 P128	D127-S130 WeakPolarHBondContact O-CA 3.49Å; D127-S130 WeakPolarHBondContact O-CB 3.5Å; D127-S130 PolarHBondContact O-N 3.01Å; D127-S130 PolarHBondContact O-OG 2.69Å; P128-S130 PolarHBondContact O-N 3.05Å
131	I	71.1	Confident	68.6	Low	18 Å²	18	62.7 Å²	62.7	9%	0.092	32%	0.315	C	S	.	.	H	α-helix	trans	-77.3	-45.8	179.7	-64.2	172.5	0	0	0	110.5	I124 R126 D127 P128 A134 K135	I124-I131 HydrophobicContact CG2-CD1 3.95Å; I124-I131 HydrophobicContact CG2-CG1 4.29Å; R126-I131 HydrophobicContact CB-CD1 3.95Å; R126-I131 HydrophobicContact CB-CG1 3.77Å; R126-I131 WeakPolarHBondContact O-CD1 3.31Å; D127-I131 PolarHBondContact O-N 3.29Å; D127-I131 VanDerWaalsContact O-N 3.1Å; P128-I131 PolarHBondContact O-N 2.99Å; P128-I131 VanDerWaalsContact O-N 3.09Å; I131-A134 PolarHBondContact O-N 3.33Å; I131-K135 HydrophobicContact CG2-CG 3.87Å; I131-K135 WeakPolarHBondContact O-CG 3.38Å; I131-K135 PolarHBondContact O-N 3.3Å
132	A	77.7	Confident	70.5	Confident	9 Å²	9	59.5 Å²	59.5	7%	0.074	31%	0.31	C	S	.	.	H	α-helix	trans	-60.5	-48	-171.5	0	0	0	0	0	112.8	P128 A134 K135 F136 F812 L828	P128-A132 PolarHBondContact O-N 2.88Å; A132-A134 VanDerWaalsContact C-N 3.32Å; A132-A134 PolarHBondContact O-N 3.29Å; A132-K135 PolarHBondContact O-N 3.25Å; A132-F136 WeakPolarHBondContact O-CB 3.31Å; A132-F136 PolarHBondContact O-N 3.31Å; A132-F812 HydrophobicContact CB-CE1 4.22Å; A132-F812 HydrophobicContact CB-CZ 4.04Å; A132-L828 HydrophobicContact CB-CD2 4.19Å
133	P	82.4	Confident	72.6	Confident	22 Å²	22	57.6 Å²	57.6	14%	0.143	29%	0.289	C	S	.	.	H	α-helix	trans	-63.9	-35.6	176.3	-22.4	35.4	0	0	0	113.1	K129 F136 L137 L815	K129-P133 WeakPolarHBondContact O-CD 3.4Å; K129-P133 WeakPolarHBondContact O-CG 3.13Å; P133-F136 PolarHBondContact O-N 2.96Å; P133-L137 WeakPolarHBondContact O-CB 3.42Å; P133-L137 PolarHBondContact O-N 3.13Å; P133-L815 HydrophobicContact CB-CD1 4.22Å; P133-L815 WeakPolarHBondContact O-CD1 3.42Å
134	A	82.4	Confident	74.6	Confident	52 Å²	52	51.8 Å²	51.8	43%	0.43	27%	0.269	S	S	.	.	H	α-helix	trans	-67.6	-39.2	177.9	0	0	0	0	0	112.3	I131 A132 Q138	I131-A134 PolarHBondContact O-N 3.33Å; A132-A134 VanDerWaalsContact C-N 3.32Å; A132-A134 PolarHBondContact O-N 3.29Å; A134-Q138 WeakPolarHBondContact O-CB 3.44Å; A134-Q138 PolarHBondContact O-N 3.07Å
135	K	81.6	Confident	76.2	Confident	35 Å²	35	53.5 Å²	53.5	15%	0.152	28%	0.276	C	S	.	.	H	α-helix	trans	-70.7	-38.6	174.5	-70.4	-72.9	-172.8	173.2	0	112	I131 A132 Q138 S139 N591 E610	I131-K135 HydrophobicContact CG2-CG 3.87Å; I131-K135 WeakPolarHBondContact O-CG 3.38Å; I131-K135 PolarHBondContact O-N 3.3Å; A132-K135 PolarHBondContact O-N 3.25Å; K135-Q138 PolarHBondContact O-N 3.36Å; K135-S139 PolarHBondContact O-N 2.94Å; K135-N591 HydrophobicContact CB-CB 4.21Å; K135-N591 WeakPolarHBondContact CE-ND2 3.44Å; K135-N591 HydrophobicContact CG-CB 4.11Å; K135-E610 WeakPolarHBondContact CE-OE2 3.42Å; K135-E610 IonicContact NZ-OE1 3.93Å; K135-E610 PolarHBondContact NZ-OE1 3.2Å; K135-E610 IonicContact NZ-OE2 3.93Å; K135-E610 PolarHBondContact NZ-OE2 3.35Å
136	F	86.2	Confident	77.7	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.6	-46.1	174.2	-168.2	-94.1	0	0	0	111.5	A132 P133 S139 L140 S589 P784 A787 F812 L815 L816	A132-F136 WeakPolarHBondContact O-CB 3.31Å; A132-F136 PolarHBondContact O-N 3.31Å; P133-F136 PolarHBondContact O-N 2.96Å; F136-S139 WeakPolarHBondContact O-CB 3.45Å; F136-S139 PolarHBondContact O-N 2.94Å; F136-L140 HydrophobicContact CD1-CD1 3.89Å; F136-L140 HydrophobicContact CD1-CG 4.36Å; F136-L140 HydrophobicContact CE1-CD1 3.73Å; F136-L140 HydrophobicContact CE1-CG 4.22Å; F136-L140 PolarHBondContact O-N 2.75Å; F136-S589 WeakPolarHBondContact CA-O 3Å; F136-S589 WeakPolarHBondContact CD2-O 3.4Å; F136-P784 HydrophobicContact CZ-CB 4.23Å; F136-P784 WeakPolarHBondContact CZ-O 3.48Å; F136-A787 HydrophobicContact CE2-CB 4.41Å; F136-F812 HydrophobicContact CB-CD1 3.71Å; F136-F812 HydrophobicContact CB-CE1 3.65Å; F136-F812 HydrophobicContact CD1-CB 4.18Å; F136-F812 AromaticContact CD1-CD1 3.9Å; F136-F812 HydrophobicContact CD1-CD1 3.9Å; F136-F812 HydrophobicContact CD1-CG 4.23Å; F136-F812 HydrophobicContact CD2-CB 4.48Å; F136-F812 AromaticContact CD2-CD1 3.89Å; F136-F812 HydrophobicContact CD2-CD1 3.89Å; F136-F812 HydrophobicContact CD2-CD2 4.31Å; F136-F812 HydrophobicContact CD2-CE1 4.14Å; F136-F812 AromaticContact CD2-CG 3.99Å; F136-F812 HydrophobicContact CD2-CG 3.99Å; F136-F812 HydrophobicContact CD2-CZ 4.44Å; F136-F812 HydrophobicContact CE1-CB 3.93Å; F136-F812 HydrophobicContact CE1-CD1 4.49Å; F136-F812 HydrophobicContact CE1-CG 4.38Å; F136-F812 HydrophobicContact CE2-CB 4.28Å; F136-F812 HydrophobicContact CE2-CD2 4.4Å; F136-F812 HydrophobicContact CE2-CG 4.17Å; F136-F812 HydrophobicContact CG-CB 4.45Å; F136-F812 AromaticContact CG-CD1 3.56Å; F136-F812 HydrophobicContact CG-CD1 3.56Å; F136-F812 AromaticContact CG-CE1 3.93Å; F136-F812 HydrophobicContact CG-CE1 3.93Å; F136-F812 HydrophobicContact CG-CG 4.03Å; F136-F812 HydrophobicContact CZ-CB 3.99Å; F136-F812 HydrophobicContact CZ-CG 4.36Å; F136-L815 HydrophobicContact CD1-CB 4.29Å; F136-L815 HydrophobicContact CD1-CD1 4.04Å; F136-L815 HydrophobicContact CE1-CB 4.45Å; F136-L816 HydrophobicContact CE1-CD1 4.45Å; F136-L816 HydrophobicContact CE1-CD2 4.1Å; F136-L816 HydrophobicContact CE1-CG 4.01Å; F136-L816 HydrophobicContact CZ-CD1 4.17Å; F136-L816 HydrophobicContact CZ-CD2 4.23Å; F136-L816 HydrophobicContact CZ-CG 4.19Å
137	L	87.7	Confident	79	Confident	65 Å²	65	41.5 Å²	41.5	34%	0.34	22%	0.224	S	C	.	.	H	α-helix	trans	-60.7	-46.3	172.3	177.8	56.6	0	0	0	112	P133 S139 L140 D141 L815	P133-L137 WeakPolarHBondContact O-CB 3.42Å; P133-L137 PolarHBondContact O-N 3.13Å; L137-S139 PolarHBondContact O-N 3.12Å; L137-L140 WeakPolarHBondContact O-CB 3.49Å; L137-L140 PolarHBondContact O-N 3.03Å; L137-L140 VanDerWaalsContact O-N 3.11Å; L137-D141 VanDerWaalsContact CD1-OD2 3.29Å; L137-D141 WeakPolarHBondContact CD1-OD2 3.25Å; L137-D141 PolarHBondContact O-N 3.48Å; L137-L815 HydrophobicContact CB-CD1 4.13Å; L137-L815 HydrophobicContact CB-CD2 4.37Å; L137-L815 HydrophobicContact CD1-CD2 4.27Å; L137-L815 HydrophobicContact CD2-CD2 4.37Å
138	Q	85	Confident	79.7	Confident	110 Å²	110	40.3 Å²	40.3	51%	0.514	22%	0.22	S	C	.	.	H	α-helix	trans	-56.8	-38.9	175.8	-174.2	179.4	15.6	0	0	112	A134 K135 S142	A134-Q138 WeakPolarHBondContact O-CB 3.44Å; A134-Q138 PolarHBondContact O-N 3.07Å; K135-Q138 PolarHBondContact O-N 3.36Å; Q138-S142 VanDerWaalsContact O-CB 3.27Å; Q138-S142 WeakPolarHBondContact O-CB 3.38Å; Q138-S142 PolarHBondContact O-N 2.75Å; Q138-S142 PolarHBondContact O-OG 2.67Å
139	S	83.6	Confident	80.5	Confident	6 Å²	6	44 Å²	44	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-66.9	-44.3	175.3	-170.2	0	0	0	0	111.9	K135 F136 L137 S142 L143 S589	K135-S139 PolarHBondContact O-N 2.94Å; F136-S139 WeakPolarHBondContact O-CB 3.45Å; F136-S139 PolarHBondContact O-N 2.94Å; L137-S139 PolarHBondContact O-N 3.12Å; S139-S142 PolarHBondContact O-N 3.45Å; S139-L143 WeakPolarHBondContact O-CB 3.4Å; S139-L143 PolarHBondContact O-N 2.78Å; S139-S589 PolarHBondContact OG-OG 3.48Å
140	L	87	Confident	81.3	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-59.4	-46.8	174.5	-73.5	173.1	0	0	0	112.2	F136 L137 L143 K144 I247 P784 L815 L816	F136-L140 HydrophobicContact CD1-CD1 3.89Å; F136-L140 HydrophobicContact CD1-CG 4.36Å; F136-L140 HydrophobicContact CE1-CD1 3.73Å; F136-L140 HydrophobicContact CE1-CG 4.22Å; F136-L140 PolarHBondContact O-N 2.75Å; L137-L140 WeakPolarHBondContact O-CB 3.49Å; L137-L140 PolarHBondContact O-N 3.03Å; L137-L140 VanDerWaalsContact O-N 3.11Å; L140-L143 PolarHBondContact O-N 3.15Å; L140-K144 WeakPolarHBondContact O-CG 3.49Å; L140-K144 PolarHBondContact O-N 3.36Å; L140-I247 HydrophobicContact CD2-CD1 4.4Å; L140-P784 HydrophobicContact CD2-CB 3.57Å; L140-P784 HydrophobicContact CD2-CG 3.89Å; L140-P784 HydrophobicContact CG-CB 4.49Å; L140-L815 HydrophobicContact CD1-CB 4.22Å; L140-L816 HydrophobicContact CD1-CD2 4.2Å; L140-L816 HydrophobicContact CD2-CD2 3.89Å
141	D	86.5	Confident	81.9	Confident	70 Å²	70	42 Å²	42	37%	0.374	23%	0.227	S	C	.	.	H	α-helix	trans	-71.6	-37.5	-178	-66.8	-25.8	0	0	0	112.1	L137 L143 K144 H145	L137-D141 VanDerWaalsContact CD1-OD2 3.29Å; L137-D141 WeakPolarHBondContact CD1-OD2 3.25Å; L137-D141 PolarHBondContact O-N 3.48Å; D141-L143 PolarHBondContact O-N 3.29Å; D141-K144 PolarHBondContact O-N 3.04Å; D141-K144 IonicContact OD1-NZ 2.59Å; D141-K144 PolarHBondContact OD1-NZ 2.85Å; D141-H145 WeakPolarHBondContact O-CB 3.44Å; D141-H145 PolarHBondContact O-N 2.81Å
142	S	83.1	Confident	82.8	Confident	47 Å²	47	41.1 Å²	41.1	33%	0.329	22%	0.222	S	C	.	.	H	α-helix	trans	-58.3	-41	169.5	-59.1	0	0	0	0	110.9	Q138 S139 H145 M146	Q138-S142 VanDerWaalsContact O-CB 3.27Å; Q138-S142 WeakPolarHBondContact O-CB 3.38Å; Q138-S142 PolarHBondContact O-N 2.75Å; Q138-S142 PolarHBondContact O-OG 2.67Å; S139-S142 PolarHBondContact O-N 3.45Å; S142-H145 PolarHBondContact O-N 3.5Å; S142-M146 WeakPolarHBondContact O-CG 3.39Å; S142-M146 PolarHBondContact O-N 2.85Å
143	L	82.6	Confident	83.4	Confident	6 Å²	6	40.8 Å²	40.8	3%	0.031	22%	0.219	C	C	.	.	H	α-helix	trans	-70.7	-43.7	-180	-171.6	145.2	0	0	0	112	S139 L140 D141 H145 M146 F147 P236 L241 P784	S139-L143 WeakPolarHBondContact O-CB 3.4Å; S139-L143 PolarHBondContact O-N 2.78Å; L140-L143 PolarHBondContact O-N 3.15Å; D141-L143 PolarHBondContact O-N 3.29Å; L143-H145 VanDerWaalsContact C-N 3.33Å; L143-H145 PolarHBondContact O-N 3.02Å; L143-M146 HydrophobicContact CB-CE 4.11Å; L143-M146 HydrophobicContact CG-CE 4.12Å; L143-M146 PolarHBondContact O-N 2.63Å; L143-F147 HydrophobicContact CD2-CD2 3.67Å; L143-F147 HydrophobicContact CD2-CE2 3.58Å; L143-F147 HydrophobicContact CG-CD2 4.13Å; L143-F147 HydrophobicContact CG-CE2 4.07Å; L143-F147 WeakPolarHBondContact O-CD2 3.4Å; L143-F147 PolarHBondContact O-N 3.04Å; L143-P236 HydrophobicContact CD1-CG 3.81Å; L143-L241 HydrophobicContact CD2-CD1 3.17Å; L143-P784 HydrophobicContact CD1-CG 3.96Å
144	K	82.1	Confident	83.7	Confident	78 Å²	78	39.8 Å²	39.8	34%	0.339	21%	0.213	S	C	.	.	H	α-helix	trans	-54.2	-48.5	169.6	-69.2	170.3	-165.1	159.1	0	111.6	L140 D141 M146 F147 S148 L241	L140-K144 WeakPolarHBondContact O-CG 3.49Å; L140-K144 PolarHBondContact O-N 3.36Å; D141-K144 PolarHBondContact O-N 3.04Å; D141-K144 IonicContact OD1-NZ 2.59Å; D141-K144 PolarHBondContact OD1-NZ 2.85Å; K144-M146 VanDerWaalsContact C-N 3.33Å; K144-M146 PolarHBondContact O-N 3.29Å; K144-F147 PolarHBondContact O-N 2.7Å; K144-F147 VanDerWaalsContact O-N 3.16Å; K144-S148 PolarHBondContact O-N 3Å; K144-S148 VanDerWaalsContact O-N 3.08Å; K144-L241 HydrophobicContact CG-CD2 4.03Å
145	H	81.6	Confident	83.7	Confident	107 Å²	107	37.6 Å²	37.6	50%	0.495	19%	0.194	S	C	.	.	H	α-helix	trans	-59.7	-40.7	177.8	176.8	-77.9	0	0	0	112.2	D141 S142 L143 S148 N149	D141-H145 WeakPolarHBondContact O-CB 3.44Å; D141-H145 PolarHBondContact O-N 2.81Å; S142-H145 PolarHBondContact O-N 3.5Å; L143-H145 VanDerWaalsContact C-N 3.33Å; L143-H145 PolarHBondContact O-N 3.02Å; H145-S148 PolarHBondContact O-N 2.99Å; H145-S148 PolarHBondContact O-OG 2.87Å; H145-S148 VanDerWaalsContact O-OG 3.14Å; H145-N149 PolarHBondContact CD2-ND2 3.35Å; H145-N149 PolarHBondContact NE2-ND2 3.47Å; H145-N149 VanDerWaalsContact O-CB 3.29Å; H145-N149 WeakPolarHBondContact O-CB 3.39Å; H145-N149 PolarHBondContact O-N 3.4Å
146	M	79.8	Confident	83.5	Confident	21 Å²	21	40.1 Å²	40.1	10%	0.103	21%	0.205	C	C	.	.	H	α-helix	trans	-64.7	-43.1	174.1	-71.3	-172.3	-56.7	0	0	112.3	S142 L143 K144 S148 T150 R416	S142-M146 WeakPolarHBondContact O-CG 3.39Å; S142-M146 PolarHBondContact O-N 2.85Å; L143-M146 HydrophobicContact CB-CE 4.11Å; L143-M146 HydrophobicContact CG-CE 4.12Å; L143-M146 PolarHBondContact O-N 2.63Å; K144-M146 VanDerWaalsContact C-N 3.33Å; K144-M146 PolarHBondContact O-N 3.29Å; M146-S148 VanDerWaalsContact C-N 3.27Å; M146-S148 PolarHBondContact O-N 2.93Å; M146-T150 WeakPolarHBondContact CA-OG1 3.43Å; M146-T150 WeakPolarHBondContact O-CA 3.37Å; M146-T150 VanDerWaalsContact O-CB 3.23Å; M146-T150 WeakPolarHBondContact O-CB 3.49Å; M146-T150 PolarHBondContact O-N 3.49Å; M146-R416 HydrophobicContact CE-CB 4.32Å; M146-R416 HydrophobicContact CE-CG 4.2Å; M146-R416 HydrophobicContact SD-CB 3.52Å; M146-R416 VanDerWaalsContact SD-CB 3.52Å; M146-R416 VanDerWaalsContact SD-CD 3.56Å; M146-R416 HydrophobicContact SD-CG 3.45Å; M146-R416 WeakPolarHBondContact SD-CG 3.46Å
147	F	78.2	Confident	83	Confident	8 Å²	8	42.4 Å²	42.4	4%	0.035	22%	0.22	C	C	.	.	H	α-helix	trans	-60.4	-37.3	179	-94.5	-86.5	0	0	0	112.4	L143 K144 P236 R237 L238 L242 S320 G324	L143-F147 HydrophobicContact CD2-CD2 3.67Å; L143-F147 HydrophobicContact CD2-CE2 3.58Å; L143-F147 HydrophobicContact CG-CD2 4.13Å; L143-F147 HydrophobicContact CG-CE2 4.07Å; L143-F147 WeakPolarHBondContact O-CD2 3.4Å; L143-F147 PolarHBondContact O-N 3.04Å; K144-F147 PolarHBondContact O-N 2.7Å; K144-F147 VanDerWaalsContact O-N 3.16Å; F147-P236 WeakPolarHBondContact CZ-O 3.1Å; F147-R237 WeakPolarHBondContact CE1-O 3.42Å; F147-R237 WeakPolarHBondContact CZ-O 3.24Å; F147-L238 HydrophobicContact CZ-CB 4.47Å; F147-L242 HydrophobicContact CB-CD1 4.13Å; F147-L242 HydrophobicContact CB-CD2 3.9Å; F147-L242 HydrophobicContact CB-CG 4.07Å; F147-L242 HydrophobicContact CD1-CD1 4.27Å; F147-S320 WeakPolarHBondContact CE1-OG 3.47Å; F147-S320 VanDerWaalsContact CZ-CB 3.46Å; F147-G324 PolarHBondContact O-N 2.91Å; F147-G324 VanDerWaalsContact O-N 3.14Å
148	S	76.8	Confident	82.4	Confident	41 Å²	41	41 Å²	41	29%	0.287	22%	0.215	S	C	.	.	H	α-helix	trans	-80.2	-45.7	177	66.8	0	0	0	0	113.6	K144 H145 M146	K144-S148 PolarHBondContact O-N 3Å; K144-S148 VanDerWaalsContact O-N 3.08Å; H145-S148 PolarHBondContact O-N 2.99Å; H145-S148 PolarHBondContact O-OG 2.87Å; H145-S148 VanDerWaalsContact O-OG 3.14Å; M146-S148 VanDerWaalsContact C-N 3.27Å; M146-S148 PolarHBondContact O-N 2.93Å
149	N	79.5	Confident	81.9	Confident	95 Å²	95	41.3 Å²	41.3	51%	0.508	23%	0.23	S	C	.	.	H	α-helix	trans	-111	-21.7	-162.2	-57.8	-10.5	0	0	0	114	H145	H145-N149 PolarHBondContact CD2-ND2 3.35Å; H145-N149 PolarHBondContact NE2-ND2 3.47Å; H145-N149 VanDerWaalsContact O-CB 3.29Å; H145-N149 WeakPolarHBondContact O-CB 3.39Å; H145-N149 PolarHBondContact O-N 3.4Å
150	T	83.3	Confident	81.8	Confident	26 Å²	26	44.9 Å²	44.9	16%	0.16	27%	0.267	C	S	.	.			trans	-90.4	115.5	179.9	-59.5	0	0	0	0	109.4	M146 V319 S323 G324 P419	M146-T150 WeakPolarHBondContact CA-OG1 3.43Å; M146-T150 WeakPolarHBondContact O-CA 3.37Å; M146-T150 VanDerWaalsContact O-CB 3.23Å; M146-T150 WeakPolarHBondContact O-CB 3.49Å; M146-T150 PolarHBondContact O-N 3.49Å; T150-V319 HydrophobicContact CG2-CG1 4.08Å; T150-S323 CarbonylContact O-C 3.58Å; T150-S323 WeakPolarHBondContact O-CB 3.35Å; T150-G324 PolarHBondContact O-N 3.48Å; T150-P419 HydrophobicContact CG2-CG 3.62Å
151	Q	82.6	Confident	81.7	Confident	63 Å²	63	48 Å²	48	29%	0.294	28%	0.279	S	S	.	.			trans	-78.4	134.7	179.6	-64.8	177.5	2.1	0	0	111.2	E327	Q151-E327 PolarHBondContact NE2-OE2 3.46Å
152	N	88.5	Confident	81.6	Confident	0 Å²	0	50 Å²	50	0%	0	29%	0.285	C	S	.	.			trans	-60.7	129.6	166.1	-178.5	-63.8	0	0	0	109.5	F154 L155 S320 S323	N152-F154 PolarHBondContact O-N 2.93Å; N152-F154 PolarHBondContact OD1-N 3.03Å; N152-F154 VanDerWaalsContact OD1-N 3.07Å; N152-L155 HydrophobicContact CB-CB 4.43Å; N152-L155 HydrophobicContact CB-CD1 3.9Å; N152-L155 HydrophobicContact CB-CG 3.91Å; N152-L155 PolarHBondContact O-N 2.97Å; N152-L155 VanDerWaalsContact O-N 3.13Å; N152-S320 PolarHBondContact ND2-O 3.32Å; N152-S323 PolarHBondContact N-O 3.36Å
153	P	90.1	Very high	81.8	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.013	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.3	-170.4	25.1	-36.8	0	0	0	113.9	R168 I317 L436 S437	P153-R168 PolarHBondContact O-NH2 2.8Å; P153-I317 HydrophobicContact CG-CD1 4.3Å; P153-L436 HydrophobicContact CB-CB 3.95Å; P153-L436 HydrophobicContact CG-CB 4.31Å; P153-S437 WeakPolarHBondContact CA-OG 3.49Å; P153-S437 VanDerWaalsContact CB-OG 3.28Å; P153-S437 WeakPolarHBondContact CB-OG 3.42Å; P153-S437 WeakPolarHBondContact O-CA 3.37Å
154	F	90.1	Very high	82.1	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-12.2	-176.2	-53.5	-42.6	0	0	0	114.4	N152 F165 L172 F173 I317 H351 I363 L393 L436	N152-F154 PolarHBondContact O-N 2.93Å; N152-F154 PolarHBondContact OD1-N 3.03Å; N152-F154 VanDerWaalsContact OD1-N 3.07Å; F154-F165 WeakPolarHBondContact O-CE2 3.37Å; F154-L172 HydrophobicContact CB-CD1 4.22Å; F154-L172 HydrophobicContact CD1-CD1 3.57Å; F154-L172 HydrophobicContact CD2-CB 4.36Å; F154-L172 HydrophobicContact CD2-CD1 3.57Å; F154-L172 HydrophobicContact CE1-CD1 3.69Å; F154-L172 HydrophobicContact CE2-CD1 3.66Å; F154-L172 HydrophobicContact CG-CD1 3.51Å; F154-L172 HydrophobicContact CZ-CD1 3.73Å; F154-F173 HydrophobicContact CB-CE2 3.65Å; F154-F173 HydrophobicContact CB-CZ 4.21Å; F154-I317 HydrophobicContact CD2-CD1 4.23Å; F154-I317 HydrophobicContact CE2-CD1 3.25Å; F154-I317 HydrophobicContact CZ-CD1 3.58Å; F154-H351 AromaticContact CD2-CD2 3.9Å; F154-H351 AromaticContact CD2-CG 4Å; F154-H351 AromaticContact CD2-NE2 3.97Å; F154-H351 HydrophobicContact CE2-CB 4.21Å; F154-H351 AromaticContact CE2-CG 3.95Å; F154-I363 HydrophobicContact CE2-CG2 3.98Å; F154-I363 HydrophobicContact CZ-CD1 4.31Å; F154-I363 HydrophobicContact CZ-CG2 3.98Å; F154-L393 HydrophobicContact CE1-CD2 4.14Å; F154-L393 HydrophobicContact CZ-CD2 4.45Å; F154-L436 HydrophobicContact CE1-CB 3.92Å; F154-L436 HydrophobicContact CZ-CB 4.31Å; F154-L436 HydrophobicContact CZ-CD1 4.35Å
155	L	81.7	Confident	82.4	Confident	7 Å²	7	48.5 Å²	48.5	4%	0.037	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-19.2	179.6	-67.9	-175.9	0	0	0	113.9	N152 F173 P321 L328 M340 V345	N152-L155 HydrophobicContact CB-CB 4.43Å; N152-L155 HydrophobicContact CB-CD1 3.9Å; N152-L155 HydrophobicContact CB-CG 3.91Å; N152-L155 PolarHBondContact O-N 2.97Å; N152-L155 VanDerWaalsContact O-N 3.13Å; L155-F173 HydrophobicContact CD2-CD2 4.49Å; L155-F173 HydrophobicContact CD2-CE1 3.9Å; L155-F173 HydrophobicContact CD2-CE2 3.73Å; L155-F173 HydrophobicContact CD2-CZ 3.4Å; L155-F173 HydrophobicContact CG-CE2 4.45Å; L155-F173 HydrophobicContact CG-CZ 3.97Å; L155-P321 WeakPolarHBondContact CD1-O 3.3Å; L155-L328 HydrophobicContact CB-CD1 3.71Å; L155-L328 HydrophobicContact CD1-CD1 4.28Å; L155-M340 HydrophobicContact CD2-CE 3.99Å; L155-M340 HydrophobicContact CD2-SD 3.41Å; L155-M340 WeakPolarHBondContact CD2-SD 3.02Å; L155-V345 HydrophobicContact CD2-CG2 4.06Å
156	F	77.6	Confident	82.6	Confident	87 Å²	87	47.1 Å²	47.1	38%	0.382	28%	0.277	S	S	.	.			trans	-85.5	132.3	-177.4	-174.2	-107.2	0	0	0	112.8	P158 F165 R168	F156-P158 HydrophobicContact CD1-CG 3.94Å; F156-P158 HydrophobicContact CE1-CB 3.85Å; F156-P158 HydrophobicContact CE1-CG 3.71Å; F156-F165 WeakPolarHBondContact O-CD2 3.46Å; F156-F165 WeakPolarHBondContact O-CE2 3.49Å; F156-R168 PolarHBondContact O-NH2 2.81Å
157	C	75.9	Confident	83	Confident	49 Å²	49	48.9 Å²	48.9	33%	0.331	29%	0.29	S	S	.	.			trans	-113.7	106.4	170	-175.4	0	0	0	0	109.4	F165	C157-F165 HydrophobicContact CB-CB 4.11Å; C157-F165 HydrophobicContact CB-CD1 3.85Å; C157-F165 HydrophobicContact CB-CD2 3.62Å; C157-F165 HydrophobicContact CB-CE1 4.14Å; C157-F165 HydrophobicContact CB-CE2 3.93Å; C157-F165 HydrophobicContact CB-CG 3.57Å; C157-F165 HydrophobicContact CB-CZ 4.19Å
158	P	74.1	Confident	83.5	Confident	36 Å²	36	48.6 Å²	48.6	23%	0.234	29%	0.289	C	S	.	.			trans	-65.7	155.2	168.8	-3.9	18.5	0	0	0	110.4	F156 Y161	F156-P158 HydrophobicContact CD1-CG 3.94Å; F156-P158 HydrophobicContact CE1-CB 3.85Å; F156-P158 HydrophobicContact CE1-CG 3.71Å; P158-Y161 HydrophobicContact CB-CD2 4.15Å; P158-Y161 HydrophobicContact CG-CD2 4.34Å; P158-Y161 PolarHBondContact O-N 2.75Å
159	S	74.8	Confident	84	Confident	116 Å²	116	47.8 Å²	47.8	81%	0.811	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	143.1	172.9	43.7	0	0	0	0	111.1	Y161	S159-Y161 VanDerWaalsContact C-N 3.33Å; S159-Y161 WeakPolarHBondContact O-CD2 3.42Å; S159-Y161 PolarHBondContact O-N 3.23Å
160	G	81.7	Confident	84.2	Confident	80 Å²	80	51.1 Å²	51.1	83%	0.825	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.4	-29.1	-177	0	0	0	0	0	115.7	K162	G160-K162 PolarHBondContact O-N 3.31Å
161	Y	85.7	Confident	84.4	Confident	69 Å²	69	50 Å²	50	27%	0.271	28%	0.283	S	S	.	.			trans	-99.2	27.5	-169.7	-63.7	-73.1	0	0	0	115.6	P158 S159 S163 N164 F165 L439	P158-Y161 HydrophobicContact CB-CD2 4.15Å; P158-Y161 HydrophobicContact CG-CD2 4.34Å; P158-Y161 PolarHBondContact O-N 2.75Å; S159-Y161 VanDerWaalsContact C-N 3.33Å; S159-Y161 WeakPolarHBondContact O-CD2 3.42Å; S159-Y161 PolarHBondContact O-N 3.23Å; Y161-S163 PolarHBondContact O-N 2.73Å; Y161-N164 PolarHBondContact O-N 2.84Å; Y161-F165 WeakPolarHBondContact O-CB 3.22Å; Y161-F165 PolarHBondContact O-N 2.88Å; Y161-L439 HydrophobicContact CD1-CB 4.33Å; Y161-L439 WeakPolarHBondContact CD1-O 3.32Å; Y161-L439 WeakPolarHBondContact CE1-O 3.4Å; Y161-L439 HydrophobicContact CG-CB 4.04Å
162	K	84.9	Confident	84.8	Confident	113 Å²	113	47 Å²	47	49%	0.491	27%	0.269	S	S	.	.	H	α-helix	trans	-60.5	-38.3	-171.6	-172.1	170.7	-179.1	172	0	114.1	G160 M166	G160-K162 PolarHBondContact O-N 3.31Å; K162-M166 WeakPolarHBondContact O-CG 3.2Å; K162-M166 PolarHBondContact O-N 3.4Å; K162-M166 VanDerWaalsContact O-N 3.11Å
163	S	86.3	Confident	84.7	Confident	81 Å²	81	47 Å²	47	57%	0.566	27%	0.27	S	S	*	.	H	α-helix	trans	-63.9	-53.1	175.4	46.4	0	0	0	0	111.4	Y161 F165 M166 C167	Y161-S163 PolarHBondContact O-N 2.73Å; S163-F165 VanDerWaalsContact C-N 3.31Å; S163-F165 PolarHBondContact O-N 2.76Å; S163-M166 PolarHBondContact O-N 2.77Å; S163-M166 VanDerWaalsContact O-N 3.12Å; S163-C167 PolarHBondContact O-N 2.8Å
164	N	89.3	Confident	84	Confident	6 Å²	6	47.5 Å²	47.5	3%	0.032	27%	0.273	C	S	.	.	H	α-helix	trans	-58.2	-42.9	179.1	-73.2	-0.9	0	0	0	111.7	Y161 C167 R168 L439 D441 Y444 S446	Y161-N164 PolarHBondContact O-N 2.84Å; N164-C167 PolarHBondContact O-N 2.98Å; N164-R168 PolarHBondContact O-N 2.87Å; N164-L439 HydrophobicContact CB-CB 4.24Å; N164-L439 HydrophobicContact CB-CD2 4.11Å; N164-L439 PolarHBondContact ND2-O 2.9Å; N164-D441 PolarHBondContact ND2-OD1 2.8Å; N164-Y444 HydrophobicContact CB-CD1 3.83Å; N164-Y444 HydrophobicContact CB-CE1 3.64Å; N164-S446 WeakPolarHBondContact OD1-CB 3.4Å; N164-S446 PolarHBondContact OD1-OG 2.79Å
165	F	88.9	Confident	82.5	Confident	11 Å²	11	51.1 Å²	51.1	5%	0.048	30%	0.295	C	S	.	.	H	α-helix	trans	-58.1	-49.1	173.3	177.1	-102.6	0	0	0	112.2	F154 F156 C157 Y161 S163 C167 R168 K169 M340 L439	F154-F165 WeakPolarHBondContact O-CE2 3.37Å; F156-F165 WeakPolarHBondContact O-CD2 3.46Å; F156-F165 WeakPolarHBondContact O-CE2 3.49Å; C157-F165 HydrophobicContact CB-CB 4.11Å; C157-F165 HydrophobicContact CB-CD1 3.85Å; C157-F165 HydrophobicContact CB-CD2 3.62Å; C157-F165 HydrophobicContact CB-CE1 4.14Å; C157-F165 HydrophobicContact CB-CE2 3.93Å; C157-F165 HydrophobicContact CB-CG 3.57Å; C157-F165 HydrophobicContact CB-CZ 4.19Å; Y161-F165 WeakPolarHBondContact O-CB 3.22Å; Y161-F165 PolarHBondContact O-N 2.88Å; S163-F165 VanDerWaalsContact C-N 3.31Å; S163-F165 PolarHBondContact O-N 2.76Å; F165-C167 VanDerWaalsContact C-N 3.33Å; F165-C167 PolarHBondContact O-N 3.14Å; F165-R168 PolarHBondContact O-N 3.44Å; F165-K169 HydrophobicContact CE1-CD 4.19Å; F165-K169 WeakPolarHBondContact O-CB 3.38Å; F165-K169 PolarHBondContact O-N 2.94Å; F165-M340 HydrophobicContact CZ-SD 4.3Å; F165-L439 HydrophobicContact CB-CD1 3.71Å; F165-L439 HydrophobicContact CD2-CD1 4.18Å; F165-L439 HydrophobicContact CG-CD1 4.47Å
166	M	85.6	Confident	81.3	Confident	79 Å²	79	54.7 Å²	54.7	39%	0.389	32%	0.32	S	S	.	.	H	α-helix	trans	-65.6	-35.1	-178.5	-68.9	-67.1	-105.1	0	0	112.5	K162 S163 K169 K170	K162-M166 WeakPolarHBondContact O-CG 3.2Å; K162-M166 PolarHBondContact O-N 3.4Å; K162-M166 VanDerWaalsContact O-N 3.11Å; S163-M166 PolarHBondContact O-N 2.77Å; S163-M166 VanDerWaalsContact O-N 3.12Å; M166-K169 HydrophobicContact SD-CD 4.16Å; M166-K170 WeakPolarHBondContact O-CB 3.44Å; M166-K170 PolarHBondContact O-N 2.84Å
167	C	87.2	Confident	80.3	Confident	57 Å²	57	53.8 Å²	53.8	39%	0.385	34%	0.336	S	S	.	.	H	α-helix	trans	-62.4	-52.5	171.1	-72.2	0	0	0	0	111.8	S163 N164 F165 K169 K170 A171	S163-C167 PolarHBondContact O-N 2.8Å; N164-C167 PolarHBondContact O-N 2.98Å; F165-C167 VanDerWaalsContact C-N 3.33Å; F165-C167 PolarHBondContact O-N 3.14Å; C167-K169 PolarHBondContact O-N 3.05Å; C167-K170 PolarHBondContact O-N 2.67Å; C167-A171 PolarHBondContact O-N 3.26Å
168	R	89.9	Confident	79.7	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.008	32%	0.322	C	S	.	.	H	α-helix	trans	-59.7	-45.4	177.7	-172.4	173.6	71.5	-168.3	-1.1	111.8	P153 F156 N164 F165 K170 A171 L172 L436 S437 S438 L439 Y444	P153-R168 PolarHBondContact O-NH2 2.8Å; F156-R168 PolarHBondContact O-NH2 2.81Å; N164-R168 PolarHBondContact O-N 2.87Å; F165-R168 PolarHBondContact O-N 3.44Å; R168-K170 PolarHBondContact O-N 2.9Å; R168-A171 PolarHBondContact O-N 3.41Å; R168-L172 HydrophobicContact CG-CD1 3.66Å; R168-L172 HydrophobicContact CG-CG 4.39Å; R168-L172 WeakPolarHBondContact O-CG 2.99Å; R168-L172 PolarHBondContact O-N 3Å; R168-L436 PolarHBondContact NH1-O 3.44Å; R168-S437 PolarHBondContact NH1-O 3.31Å; R168-S437 PolarHBondContact NH2-O 3.22Å; R168-S438 PolarHBondContact NH1-O 2.91Å; R168-S438 VanDerWaalsContact NH1-O 3.1Å; R168-L439 HydrophobicContact CB-CD2 4.29Å; R168-L439 VanDerWaalsContact CZ-CD2 3.47Å; R168-Y444 PolarHBondContact N-OH 3.18Å
169	K	86.4	Confident	79.4	Confident	24 Å²	24	50.2 Å²	50.2	10%	0.104	31%	0.312	C	S	.	.	H	α-helix	trans	-56.3	-47.6	176.9	175.5	-172.6	160.4	174.1	0	111.4	F165 M166 C167 A171 L172 F173 M340 E344	F165-K169 HydrophobicContact CE1-CD 4.19Å; F165-K169 WeakPolarHBondContact O-CB 3.38Å; F165-K169 PolarHBondContact O-N 2.94Å; M166-K169 HydrophobicContact SD-CD 4.16Å; C167-K169 PolarHBondContact O-N 3.05Å; K169-A171 PolarHBondContact O-N 2.92Å; K169-L172 PolarHBondContact O-N 3.22Å; K169-L172 VanDerWaalsContact O-N 3.16Å; K169-F173 HydrophobicContact CG-CB 4.47Å; K169-F173 HydrophobicContact CG-CD2 4.49Å; K169-F173 PolarHBondContact O-N 2.89Å; K169-M340 HydrophobicContact CD-CE 4.21Å; K169-M340 HydrophobicContact CD-CG 4.09Å; K169-M340 HydrophobicContact CD-SD 4.02Å; K169-M340 HydrophobicContact CG-CE 4.17Å; K169-M340 HydrophobicContact CG-SD 4.2Å; K169-E344 VanDerWaalsContact CE-CD 3.49Å; K169-E344 WeakPolarHBondContact CE-OE1 3.44Å; K169-E344 WeakPolarHBondContact CE-OE2 3.38Å; K169-E344 IonicContact NZ-OE1 3.31Å; K169-E344 PolarHBondContact NZ-OE1 2.91Å; K169-E344 IonicContact NZ-OE2 2.62Å; K169-E344 PolarHBondContact NZ-OE2 3.2Å
170	K	84.5	Confident	78.9	Confident	166 Å²	166	48.3 Å²	48.3	72%	0.722	30%	0.295	S	S	*	.	H	α-helix	trans	-59.1	-30.9	-179.5	-174.1	177.5	178.9	-179.5	0	112.9	M166 C167 R168	M166-K170 WeakPolarHBondContact O-CB 3.44Å; M166-K170 PolarHBondContact O-N 2.84Å; C167-K170 PolarHBondContact O-N 2.67Å; R168-K170 PolarHBondContact O-N 2.9Å
171	A	87.5	Confident	77.9	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.008	27%	0.27	C	S	.	.	H	α-helix	trans	-80.9	-39	176	0	0	0	0	0	113.3	C167 R168 K169 N390 N449	C167-A171 PolarHBondContact O-N 3.26Å; R168-A171 PolarHBondContact O-N 3.41Å; K169-A171 PolarHBondContact O-N 2.92Å; A171-N390 WeakPolarHBondContact CB-O 3.22Å; A171-N449 WeakPolarHBondContact CB-ND2 3.3Å
172	L	90.2	Very high	76.5	Confident	0 Å²	0	46 Å²	46	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-103.1	-5.4	-169.2	-57.6	-179.6	0	0	0	114.8	F154 R168 K169 H351 I363 S365 L393	F154-L172 HydrophobicContact CB-CD1 4.22Å; F154-L172 HydrophobicContact CD1-CD1 3.57Å; F154-L172 HydrophobicContact CD2-CB 4.36Å; F154-L172 HydrophobicContact CD2-CD1 3.57Å; F154-L172 HydrophobicContact CE1-CD1 3.69Å; F154-L172 HydrophobicContact CE2-CD1 3.66Å; F154-L172 HydrophobicContact CG-CD1 3.51Å; F154-L172 HydrophobicContact CZ-CD1 3.73Å; R168-L172 HydrophobicContact CG-CD1 3.66Å; R168-L172 HydrophobicContact CG-CG 4.39Å; R168-L172 WeakPolarHBondContact O-CG 2.99Å; R168-L172 PolarHBondContact O-N 3Å; K169-L172 PolarHBondContact O-N 3.22Å; K169-L172 VanDerWaalsContact O-N 3.16Å; L172-H351 PolarHBondContact O-NE2 3.11Å; L172-I363 WeakPolarHBondContact CD2-O 3.18Å; L172-S365 VanDerWaalsContact O-CB 3.22Å; L172-S365 WeakPolarHBondContact O-CB 3.21Å; L172-S365 PolarHBondContact O-OG 2.68Å; L172-L393 HydrophobicContact CD1-CB 4.34Å; L172-L393 HydrophobicContact CD1-CD2 4.43Å; L172-L393 HydrophobicContact CD2-CB 4.26Å
173	F	86.9	Confident	74.6	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.009	27%	0.273	C	S	.	.	S	Bend	trans	-143.1	67.7	170.8	-60.3	-84.4	0	0	0	109.9	F154 L155 K169 M340 E344 V345 V348 H351	F154-F173 HydrophobicContact CB-CE2 3.65Å; F154-F173 HydrophobicContact CB-CZ 4.21Å; L155-F173 HydrophobicContact CD2-CD2 4.49Å; L155-F173 HydrophobicContact CD2-CE1 3.9Å; L155-F173 HydrophobicContact CD2-CE2 3.73Å; L155-F173 HydrophobicContact CD2-CZ 3.4Å; L155-F173 HydrophobicContact CG-CE2 4.45Å; L155-F173 HydrophobicContact CG-CZ 3.97Å; K169-F173 HydrophobicContact CG-CB 4.47Å; K169-F173 HydrophobicContact CG-CD2 4.49Å; K169-F173 PolarHBondContact O-N 2.89Å; F173-M340 HydrophobicContact CB-CE 3.73Å; F173-M340 HydrophobicContact CD1-CE 4.06Å; F173-M340 HydrophobicContact CD2-CE 3.82Å; F173-M340 HydrophobicContact CD2-SD 4.34Å; F173-M340 HydrophobicContact CE2-CE 4.42Å; F173-M340 HydrophobicContact CG-CE 3.61Å; F173-E344 HydrophobicContact CB-CB 4.47Å; F173-V345 HydrophobicContact CD1-CG2 4.36Å; F173-V345 HydrophobicContact CE1-CG1 4.47Å; F173-V345 HydrophobicContact CE1-CG2 4.41Å; F173-V348 HydrophobicContact CD1-CB 4.34Å; F173-V348 HydrophobicContact CD1-CG2 3.76Å; F173-V348 HydrophobicContact CE1-CG2 4.47Å; F173-H351 AromaticContact CE1-CE1 3.59Å; F173-H351 AromaticContact CE1-NE2 3.83Å; F173-H351 AromaticContact CZ-CE1 3.5Å; F173-H351 AromaticContact CZ-NE2 3.75Å
174	P	74.4	Confident	72.8	Confident	11 Å²	11	48.6 Å²	48.6	7%	0.071	28%	0.282	C	S	.	.			trans	-78	138	-170.6	31.3	-35.9	0	0	0	113.3	A178 S365	P174-A178 HydrophobicContact CB-CB 3.26Å; P174-A178 HydrophobicContact CG-CB 3.75Å; P174-S365 WeakPolarHBondContact CD-OG 3.37Å
175	T	58.7	Low	71.2	Confident	76 Å²	76	55.6 Å²	55.6	47%	0.466	31%	0.309	S	S	.	.	S	Bend	trans	-76.5	-37.9	-175	38.7	0	0	0	0	115.1	E344 R347	T175-E344 HydrophobicContact CG2-CG 3.72Å; T175-E344 WeakPolarHBondContact CG2-OE1 3.46Å; T175-R347 PolarHBondContact O-NH1 2.82Å
176	S	57.4	Low	69.9	Low	82 Å²	82	56.1 Å²	56.1	57%	0.573	31%	0.312	S	S	*	.	S	Bend	trans	-174.6	-12.3	174.2	49.3	0	0	0	0	116.1	M371	S176-M371 VanDerWaalsContact O-SD 3.39Å
177	G	56.3	Low	69.1	Low	68 Å²	68	58 Å²	58	70%	0.701	32%	0.318	S	S	*	.	S	Bend	trans	-107.3	9.3	-171.7	0	0	0	0	0	117
178	A	63	Low	68.3	Low	6 Å²	6	62.6 Å²	62.6	5%	0.05	33%	0.331	C	S	.	.	S	Bend	trans	-84.4	-33.3	-172.6	0	0	0	0	0	114.5	P174 C391	P174-A178 HydrophobicContact CB-CB 3.26Å; P174-A178 HydrophobicContact CG-CB 3.75Å; A178-C391 WeakPolarHBondContact CA-SG 3.3Å; A178-C391 HydrophobicContact CB-CB 3.93Å; A178-C391 WeakPolarHBondContact CB-SG 3.43Å; A178-C391 PolarHBondContact O-SG 2.97Å
179	W	67.9	Low	67.7	Low	5 Å²	5	66.7 Å²	66.7	2%	0.019	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	107.3	-178.1	-71.6	94.2	0	0	0	108.9	R181 I304 F364 S365 I366 P367 M371 Y385 L387	W179-R181 PolarHBondContact O-N 2.93Å; W179-I304 HydrophobicContact CH2-CD1 3.68Å; W179-I304 HydrophobicContact CH2-CG1 3.88Å; W179-I304 HydrophobicContact CH2-CG2 4.47Å; W179-I304 HydrophobicContact CZ3-CB 4.48Å; W179-I304 HydrophobicContact CZ3-CD1 4.14Å; W179-I304 HydrophobicContact CZ3-CG1 3.82Å; W179-I304 HydrophobicContact CZ3-CG2 4.05Å; W179-F364 HydrophobicContact CH2-CD2 4.19Å; W179-F364 HydrophobicContact CH2-CE2 4.43Å; W179-F364 HydrophobicContact CZ2-CD2 4.33Å; W179-S365 WeakPolarHBondContact CZ2-O 3.43Å; W179-S365 PolarHBondContact NE1-O 3.07Å; W179-I366 HydrophobicContact CH2-CD1 4.16Å; W179-I366 HydrophobicContact CZ2-CD1 4.16Å; W179-P367 HydrophobicContact CG-CG 4.39Å; W179-M371 HydrophobicContact CB-SD 4.29Å; W179-M371 HydrophobicContact CG-CE 4.49Å; W179-Y385 HydrophobicContact CB-CD1 4.43Å; W179-Y385 HydrophobicContact CE3-CG 4.47Å; W179-L387 HydrophobicContact CD2-CD2 3.93Å; W179-L387 HydrophobicContact CD2-CG 4.48Å; W179-L387 HydrophobicContact CE3-CD2 3.87Å; W179-L387 HydrophobicContact CE3-CG 3.92Å; W179-L387 HydrophobicContact CH2-CD1 3.72Å; W179-L387 HydrophobicContact CH2-CD2 3.77Å; W179-L387 HydrophobicContact CH2-CG 3.74Å; W179-L387 HydrophobicContact CZ2-CD1 4.38Å; W179-L387 HydrophobicContact CZ2-CD2 3.77Å; W179-L387 HydrophobicContact CZ2-CG 4.28Å; W179-L387 HydrophobicContact CZ3-CD1 3.92Å; W179-L387 HydrophobicContact CZ3-CD2 3.81Å; W179-L387 HydrophobicContact CZ3-CG 3.53Å
180	V	64.1	Low	67.4	Low	76 Å²	76	66 Å²	66	46%	0.461	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	114.6	173.1	-175.6	0	0	0	0	106.6	S182 T386	V180-S182 PolarHBondContact O-N 3.36Å; V180-T386 PolarHBondContact N-O 3.3Å; V180-T386 PolarHBondContact O-N 3.13Å
181	R	61.9	Low	67.2	Low	76 Å²	76	59.4 Å²	59.4	29%	0.287	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	122.4	166.2	-174	-175.7	-168.8	177.8	6.3	106.7	W179 P183 F373 F383 Y385	W179-R181 PolarHBondContact O-N 2.93Å; R181-P183 VanDerWaalsContact O-CD 3.31Å; R181-P183 WeakPolarHBondContact O-CD 3.36Å; R181-P183 VanDerWaalsContact O-N 3.11Å; R181-F373 HydrophobicContact CB-CD2 4.2Å; R181-F373 HydrophobicContact CB-CE2 3.99Å; R181-F373 HydrophobicContact CB-CZ 4.5Å; R181-F383 VanDerWaalsContact NH2-CD1 3.29Å; R181-F383 VanDerWaalsContact NH2-CE2 3.27Å; R181-Y385 HydrophobicContact CB-CD1 4.43Å
182	S	55.7	Low	66.8	Low	24 Å²	24	59.4 Å²	59.4	17%	0.168	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-59.1	121.1	175.4	179.9	0	0	0	0	107.2	V180 I184 A384	V180-S182 PolarHBondContact O-N 3.36Å; S182-I184 PolarHBondContact O-N 3.18Å; S182-A384 WeakPolarHBondContact CB-O 3.32Å; S182-A384 PolarHBondContact N-O 3.03Å
183	P	45.2	Very low	66.1	Low	104 Å²	104	61.8 Å²	61.8	68%	0.675	33%	0.334	S	S	*	.	S	Bend	trans	-65.1	131.2	168.8	28.2	-31.1	0	0	0	106.6	R181	R181-P183 VanDerWaalsContact O-CD 3.31Å; R181-P183 WeakPolarHBondContact O-CD 3.36Å; R181-P183 VanDerWaalsContact O-N 3.11Å
184	I	48.6	Very low	65.7	Low	144 Å²	144	61.9 Å²	61.9	74%	0.738	34%	0.335	S	S	*	.	S	Bend	trans	80.8	143.8	-170.8	-47.7	151.5	0	0	0	113	S182	S182-I184 PolarHBondContact O-N 3.18Å
185	Y	55.8	Low	66.1	Low	153 Å²	153	63 Å²	63	60%	0.6	34%	0.342	S	S	*	.	S	Bend	trans	-39.1	152.1	166.8	-64.8	-88.8	0	0	0	112.9	K187 Q382	Y185-K187 PolarHBondContact O-N 2.98Å; Y185-Q382 HydrophobicContact CE1-CB 4.44Å
186	I	60.5	Low	67.5	Low	22 Å²	22	60 Å²	60	11%	0.113	32%	0.323	C	S	.	.			trans	-47.6	115.9	176.5	-36.7	-178.3	0	0	0	109.1	K188 H190 L191 V278 I303 A384	I186-K188 PolarHBondContact O-N 3.42Å; I186-H190 HydrophobicContact CG2-CB 4.21Å; I186-L191 HydrophobicContact CB-CD1 4.08Å; I186-L191 HydrophobicContact CB-CD2 4.01Å; I186-L191 HydrophobicContact CB-CG 3.95Å; I186-L191 HydrophobicContact CD1-CD2 3.9Å; I186-L191 HydrophobicContact CG2-CD1 4.39Å; I186-L191 HydrophobicContact CG2-CD2 3.78Å; I186-L191 HydrophobicContact CG2-CG 3.72Å; I186-V278 HydrophobicContact CG2-CG1 4.33Å; I186-I303 HydrophobicContact CD1-CB 4.46Å; I186-I303 HydrophobicContact CD1-CD1 3.62Å; I186-I303 HydrophobicContact CD1-CG2 4.05Å; I186-A384 HydrophobicContact CB-CB 4.3Å; I186-A384 HydrophobicContact CD1-CB 4.2Å; I186-A384 HydrophobicContact CG1-CB 3.7Å; I186-A384 HydrophobicContact CG2-CB 4.13Å
187	K	68.4	Low	69	Low	120 Å²	120	56.2 Å²	56.2	52%	0.522	30%	0.296	S	S	.	.			trans	-57.8	138.1	-178	-61.1	177.6	-178.1	171	0	109.1	Y185 D189 H190	Y185-K187 PolarHBondContact O-N 2.98Å; K187-D189 WeakPolarHBondContact CB-OD1 3.34Å; K187-D189 PolarHBondContact O-N 3.36Å; K187-D189 VanDerWaalsContact O-N 3.08Å; K187-H190 WeakPolarHBondContact O-CB 3.31Å; K187-H190 PolarHBondContact O-N 3.34Å
188	K	71.9	Confident	70.4	Confident	153 Å²	153	53 Å²	53	67%	0.665	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.1	-171.6	-173.3	175	177.9	179.7	0	113.7	I186	I186-K188 PolarHBondContact O-N 3.42Å
189	D	76	Confident	71.7	Confident	87 Å²	87	53.7 Å²	53.7	47%	0.465	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-24.4	175.5	59	-11.4	0	0	0	114.3	K187 P276	K187-D189 WeakPolarHBondContact CB-OD1 3.34Å; K187-D189 PolarHBondContact O-N 3.36Å; K187-D189 VanDerWaalsContact O-N 3.08Å; D189-P276 HydrophobicContact CB-CG 4.31Å; D189-P276 WeakPolarHBondContact O-CG 2.99Å
190	H	79.8	Confident	72.7	Confident	9 Å²	9	53.5 Å²	53.5	4%	0.042	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-24.2	174.6	-67.6	56.8	0	0	0	112.6	I186 K187 P276 V278 D307	I186-H190 HydrophobicContact CG2-CB 4.21Å; K187-H190 WeakPolarHBondContact O-CB 3.31Å; K187-H190 PolarHBondContact O-N 3.34Å; H190-P276 HydrophobicContact CB-CB 4.37Å; H190-P276 VanDerWaalsContact CE1-CB 3.49Å; H190-P276 WeakPolarHBondContact CE1-CB 3.18Å; H190-P276 WeakPolarHBondContact ND1-CB 3.41Å; H190-V278 HydrophobicContact CB-CG1 4.2Å; H190-D307 IonicContact CE1-OD1 3.19Å; H190-D307 IonicContact NE2-OD1 2.66Å
191	L	80.5	Confident	73.8	Confident	28 Å²	28	50.7 Å²	50.7	15%	0.147	25%	0.248	C	C	.	.	S	Bend	trans	-77.7	131.5	-172.1	-80.3	170.5	0	0	0	111.5	I186	I186-L191 HydrophobicContact CB-CD1 4.08Å; I186-L191 HydrophobicContact CB-CD2 4.01Å; I186-L191 HydrophobicContact CB-CG 3.95Å; I186-L191 HydrophobicContact CD1-CD2 3.9Å; I186-L191 HydrophobicContact CG2-CD1 4.39Å; I186-L191 HydrophobicContact CG2-CD2 3.78Å; I186-L191 HydrophobicContact CG2-CG 3.72Å
192	P	79.6	Confident	74.3	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.013	24%	0.239	C	C	.	.			trans	-62.3	145.8	176.7	-21.9	32.4	0	0	0	113.2	R212 G225 S258 V278	P192-R212 WeakPolarHBondContact O-CD 3.48Å; P192-R212 PolarHBondContact O-NH1 2.87Å; P192-G225 WeakPolarHBondContact CB-O 3.26Å; P192-S258 WeakPolarHBondContact CG-OG 3.16Å; P192-V278 HydrophobicContact CG-CG2 3.79Å
193	Q	76.2	Confident	74.9	Confident	49 Å²	49	51.3 Å²	51.3	23%	0.229	26%	0.256	C	S	.	.	S	Bend	trans	-118.6	157.3	178.4	-57.2	-176	14.5	0	0	110.2	G226 P260 T261 P262 P727	Q193-G226 WeakPolarHBondContact O-CA 3.18Å; Q193-G226 PolarHBondContact O-N 2.92Å; Q193-P260 WeakPolarHBondContact CA-O 3.3Å; Q193-P260 VanDerWaalsContact CB-O 3.32Å; Q193-P260 WeakPolarHBondContact CB-O 3.26Å; Q193-P260 PolarHBondContact N-O 3.07Å; Q193-T261 HydrophobicContact CB-CG2 4.46Å; Q193-P262 WeakPolarHBondContact O-CD 3.27Å; Q193-P262 WeakPolarHBondContact O-CG 3.15Å; Q193-P727 VanDerWaalsContact OE1-CG 3.32Å
194	P	78.6	Confident	75.4	Confident	5 Å²	5	52.9 Å²	52.9	3%	0.032	25%	0.254	C	S	.	.			cis	-71.4	160.6	-8.1	28.3	-32.8	0	0	0	112.4	I196 Y223 L725 W746	P194-I196 PolarHBondContact O-N 2.79Å; P194-Y223 WeakPolarHBondContact CD-OH 3.43Å; P194-Y223 WeakPolarHBondContact O-CE1 3.38Å; P194-Y223 PolarHBondContact O-OH 2.82Å; P194-L725 HydrophobicContact CB-CD2 4.19Å; P194-W746 HydrophobicContact CG-CD2 4.32Å; P194-W746 HydrophobicContact CG-CH2 4.11Å; P194-W746 HydrophobicContact CG-CZ2 3.23Å
195	P	82	Confident	76	Confident	33 Å²	33	51.9 Å²	51.9	21%	0.214	25%	0.254	C	S	.	.	S	Bend	trans	-72.2	-10.5	-177.2	29.9	-36.1	0	0	0	114.4	R212 F724 L725	P195-R212 WeakPolarHBondContact O-CB 3.46Å; P195-R212 PolarHBondContact O-N 2.92Å; P195-F724 HydrophobicContact CG-CD1 4.31Å; P195-F724 HydrophobicContact CG-CE1 3.92Å; P195-L725 HydrophobicContact CG-CD2 4.26Å
196	I	87.7	Confident	76.8	Confident	14 Å²	14	50.1 Å²	50.1	7%	0.072	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-132.1	144.4	178	-48.7	175.9	0	0	0	107.9	P194 K209 L210 V713 L721 L725 W746	P194-I196 PolarHBondContact O-N 2.79Å; I196-K209 HydrophobicContact CG2-CB 4.03Å; I196-L210 CarbonylContact C-O 3.49Å; I196-L210 WeakPolarHBondContact CA-O 3.25Å; I196-L210 WeakPolarHBondContact CG2-O 3.44Å; I196-V713 HydrophobicContact CD1-CG1 3.84Å; I196-V713 HydrophobicContact CD1-CG2 4.38Å; I196-L721 HydrophobicContact CD1-CD1 4.39Å; I196-L725 HydrophobicContact CB-CD2 3.8Å; I196-L725 HydrophobicContact CD1-CD2 4.14Å; I196-L725 HydrophobicContact CG1-CD2 4.01Å; I196-W746 PolarHBondContact O-NE1 3.4Å
197	S	89.1	Confident	77.8	Confident	2 Å²	2	53 Å²	53	1%	0.014	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-68.5	169.1	179.2	80.3	0	0	0	0	113	L210 Y223 W746 F798	S197-L210 PolarHBondContact N-O 2.98Å; S197-L210 PolarHBondContact OG-N 3.29Å; S197-Y223 VanDerWaalsContact N-CE1 3.32Å; S197-W746 PolarHBondContact O-NE1 3.05Å; S197-F798 VanDerWaalsContact CB-CZ 3.44Å
198	P	86.8	Confident	78.7	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-60.4	161.5	159.7	-8.7	23.7	0	0	0	109.7	Y200 W746 I751 F798	P198-Y200 PolarHBondContact O-N 3.44Å; P198-W746 HydrophobicContact CB-CD2 4.28Å; P198-W746 HydrophobicContact CB-CE3 4.33Å; P198-W746 HydrophobicContact CB-CZ3 4.46Å; P198-W746 HydrophobicContact CG-CD2 4.06Å; P198-W746 HydrophobicContact CG-CE3 3.9Å; P198-W746 HydrophobicContact CG-CH2 3.47Å; P198-W746 VanDerWaalsContact CG-CH2 3.47Å; P198-W746 HydrophobicContact CG-CZ2 3.62Å; P198-W746 HydrophobicContact CG-CZ3 3.57Å; P198-I751 HydrophobicContact CB-CD1 3.75Å; P198-I751 HydrophobicContact CB-CG1 4.26Å; P198-I751 HydrophobicContact CG-CD1 3.69Å; P198-F798 HydrophobicContact CG-CE2 4.22Å
199	I	88.5	Confident	79.5	Confident	22 Å²	22	46.6 Å²	46.6	11%	0.113	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-63.6	132.3	162.7	-62.3	-175	0	0	0	108.7	V208 K209 R637 Q750 I751	I199-V208 WeakPolarHBondContact CA-O 3.4Å; I199-K209 HydrophobicContact CG1-CD 4.14Å; I199-K209 HydrophobicContact CG1-CG 3.73Å; I199-R637 VanDerWaalsContact CD1-CZ 3.46Å; I199-Q750 HydrophobicContact CB-CB 4.41Å; I199-Q750 HydrophobicContact CG2-CB 4.12Å; I199-I751 PolarHBondContact O-N 3.18Å
200	Y	89.7	Confident	80.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	159.5	169.9	73.3	-83.8	0	0	0	113.2	P198 V208 L210 D216 L221 I751 I753 F798	P198-Y200 PolarHBondContact O-N 3.44Å; Y200-V208 HydrophobicContact CD1-CB 4.3Å; Y200-V208 WeakPolarHBondContact CD1-O 3.27Å; Y200-V208 HydrophobicContact CE1-CB 3.76Å; Y200-V208 HydrophobicContact CE1-CG1 3.76Å; Y200-V208 HydrophobicContact CE2-CB 4.12Å; Y200-V208 PolarHBondContact N-O 3.17Å; Y200-V208 PolarHBondContact O-N 3.46Å; Y200-V208 WeakPolarHBondContact OH-CG1 3.47Å; Y200-L210 HydrophobicContact CE1-CD1 3.98Å; Y200-L210 HydrophobicContact CE1-CG 4Å; Y200-L210 WeakPolarHBondContact OH-CD1 3.47Å; Y200-D216 WeakPolarHBondContact OH-CB 3.08Å; Y200-D216 PolarHBondContact OH-OD2 2.81Å; Y200-L221 HydrophobicContact CD2-CD1 3.88Å; Y200-L221 HydrophobicContact CE2-CD1 3.53Å; Y200-I751 CarbonylContact C-O 3.53Å; Y200-I751 WeakPolarHBondContact CA-O 3.46Å; Y200-I753 HydrophobicContact CD2-CD1 3.94Å; Y200-I753 HydrophobicContact CG-CD1 4.42Å; Y200-F798 AromaticContact CD1-CE1 3.98Å; Y200-F798 HydrophobicContact CD1-CE1 3.98Å; Y200-F798 HydrophobicContact CD1-CE2 4.47Å; Y200-F798 AromaticContact CD1-CZ 3.55Å; Y200-F798 HydrophobicContact CD1-CZ 3.55Å; Y200-F798 AromaticContact CE1-CE1 3.98Å; Y200-F798 HydrophobicContact CE1-CE1 3.98Å; Y200-F798 HydrophobicContact CE1-CZ 4.04Å; Y200-F798 HydrophobicContact CG-CZ 4.22Å
201	L	86.7	Confident	80.6	Confident	18 Å²	18	47 Å²	47	9%	0.094	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	109.2	179.2	-69.8	165.9	0	0	0	107.9	Q750 I751 R752 I753	L201-Q750 VanDerWaalsContact CD1-CD 3.47Å; L201-Q750 HydrophobicContact CD1-CG 4.17Å; L201-Q750 VanDerWaalsContact CD1-NE2 3.32Å; L201-I751 PolarHBondContact N-O 2.93Å; L201-R752 HydrophobicContact CB-CG 4.3Å; L201-R752 WeakPolarHBondContact O-CA 3.37Å; L201-I753 PolarHBondContact O-N 3.14Å
202	S	73.6	Confident	81	Confident	15 Å²	15	48.9 Å²	48.9	11%	0.105	26%	0.256	C	S	.	.	S	Bend	trans	-88.9	-43.9	171.3	-179.7	0	0	0	0	111	S219	S202-S219 WeakPolarHBondContact CB-OG 3.5Å; S202-S219 PolarHBondContact OG-OG 2.83Å
203	D	66.9	Low	81.3	Confident	98 Å²	98	50.7 Å²	50.7	52%	0.524	27%	0.265	S	S	.	.	S	Bend	trans	-120.2	160.6	168.9	-81.3	-52.1	0	0	0	110.9	V205 K758	D203-V205 PolarHBondContact O-N 3.41Å; D203-K758 IonicContact OD1-NZ 3.19Å; D203-K758 PolarHBondContact OD1-NZ 3.25Å
204	E	57.5	Low	82	Confident	137 Å²	137	52.2 Å²	52.2	64%	0.64	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-3.9	-163.3	-48	-160.3	129.9	0	0	115	R752	E204-R752 VanDerWaalsContact CD-NH2 3.34Å; E204-R752 IonicContact OE1-CZ 3.7Å; E204-R752 IonicContact OE1-NH1 3.93Å; E204-R752 IonicContact OE1-NH2 2.67Å; E204-R752 PolarHBondContact OE1-NH2 2.87Å
205	V	61.1	Low	82.6	Confident	122 Å²	122	53.6 Å²	53.6	74%	0.739	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-37.4	-164.5	-170.6	0	0	0	0	113.3	D203	D203-V205 PolarHBondContact O-N 3.41Å
206	N	71.2	Confident	83.1	Confident	117 Å²	117	53.6 Å²	53.6	63%	0.626	28%	0.275	S	S	*	.			trans	-134.2	121.4	-168.7	-69.8	-31.2	0	0	0	112.7
207	S	81.6	Confident	83.1	Confident	82 Å²	82	60 Å²	60	57%	0.573	30%	0.303	S	S	*	.			trans	-74.1	123.3	169	56.1	0	0	0	0	111.2
208	V	88.3	Confident	82.9	Confident	43 Å²	43	63 Å²	63	26%	0.261	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-112.3	141.8	-177.6	-173.6	0	0	0	0	111	I199 Y200 L210	I199-V208 WeakPolarHBondContact CA-O 3.4Å; Y200-V208 HydrophobicContact CD1-CB 4.3Å; Y200-V208 WeakPolarHBondContact CD1-O 3.27Å; Y200-V208 HydrophobicContact CE1-CB 3.76Å; Y200-V208 HydrophobicContact CE1-CG1 3.76Å; Y200-V208 HydrophobicContact CE2-CB 4.12Å; Y200-V208 PolarHBondContact N-O 3.17Å; Y200-V208 PolarHBondContact O-N 3.46Å; Y200-V208 WeakPolarHBondContact OH-CG1 3.47Å; V208-L210 HydrophobicContact CG1-CG 4.48Å
209	K	88.9	Confident	82.9	Confident	95 Å²	95	63.6 Å²	63.6	41%	0.413	34%	0.338	S	S	.	.			trans	-121.2	131.4	165.6	-66.5	177.5	-177.2	173	0	107.4	I196 I199	I196-K209 HydrophobicContact CG2-CB 4.03Å; I199-K209 HydrophobicContact CG1-CD 4.14Å; I199-K209 HydrophobicContact CG1-CG 3.73Å
210	L	89	Confident	83.1	Confident	5 Å²	5	64.2 Å²	64.2	3%	0.026	34%	0.342	C	S	.	.			trans	-106.2	135.3	175.8	-76.1	173.4	0	0	0	111.3	I196 S197 Y200 V208 E214 D216 L221 Y223 F798	I196-L210 CarbonylContact C-O 3.49Å; I196-L210 WeakPolarHBondContact CA-O 3.25Å; I196-L210 WeakPolarHBondContact CG2-O 3.44Å; S197-L210 PolarHBondContact N-O 2.98Å; S197-L210 PolarHBondContact OG-N 3.29Å; Y200-L210 HydrophobicContact CE1-CD1 3.98Å; Y200-L210 HydrophobicContact CE1-CG 4Å; Y200-L210 WeakPolarHBondContact OH-CD1 3.47Å; V208-L210 HydrophobicContact CG1-CG 4.48Å; L210-E214 HydrophobicContact CB-CB 4.4Å; L210-E214 HydrophobicContact CD2-CB 3.91Å; L210-E214 HydrophobicContact CD2-CG 3.64Å; L210-D216 HydrophobicContact CD1-CB 3.91Å; L210-D216 HydrophobicContact CD2-CB 4.04Å; L210-D216 HydrophobicContact CG-CB 4.41Å; L210-L221 HydrophobicContact CD1-CB 4.38Å; L210-Y223 WeakPolarHBondContact O-CD1 3.39Å; L210-F798 HydrophobicContact CD1-CE1 4.2Å
211	K	89.3	Confident	83.3	Confident	99 Å²	99	64.2 Å²	64.2	43%	0.43	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-69.6	154.9	166.3	-61.7	171.4	-177.2	172.2	0	109	L213 E214	K211-L213 PolarHBondContact O-N 3.15Å; K211-E214 HydrophobicContact CB-CB 4.31Å; K211-E214 VanDerWaalsContact CB-OE2 3.28Å; K211-E214 WeakPolarHBondContact CB-OE2 3.36Å; K211-E214 PolarHBondContact N-OE2 3.01Å; K211-E214 WeakPolarHBondContact O-CB 3.31Å; K211-E214 PolarHBondContact O-N 2.9Å
212	R	87.8	Confident	83.7	Confident	68 Å²	68	63.4 Å²	63.4	26%	0.257	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	134.1	179.2	-174.1	-171.9	60.7	-129.8	-17.3	110.9	P192 P195 Y223	P192-R212 WeakPolarHBondContact O-CD 3.48Å; P192-R212 PolarHBondContact O-NH1 2.87Å; P195-R212 WeakPolarHBondContact O-CB 3.46Å; P195-R212 PolarHBondContact O-N 2.92Å; R212-Y223 WeakPolarHBondContact CA-O 3.27Å; R212-Y223 HydrophobicContact CB-CD1 4.19Å; R212-Y223 HydrophobicContact CB-CE1 4.19Å
213	L	87.8	Confident	84.6	Confident	40 Å²	40	62.7 Å²	62.7	21%	0.209	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	10.8	-170.7	-42.7	-178.9	0	0	0	114.6	K211 Y223 W282 I300 I303	K211-L213 PolarHBondContact O-N 3.15Å; L213-Y223 PolarHBondContact N-O 3.28Å; L213-W282 HydrophobicContact CB-CH2 4.05Å; L213-W282 HydrophobicContact CD2-CH2 4.37Å; L213-W282 HydrophobicContact CD2-CZ2 3.97Å; L213-I300 HydrophobicContact CD1-CG1 4.34Å; L213-I300 HydrophobicContact CD2-CD1 4.36Å; L213-I303 HydrophobicContact CD1-CD1 3.69Å
214	E	89.7	Confident	85.7	Confident	81 Å²	81	58 Å²	58	38%	0.379	31%	0.307	S	S	.	.			trans	-83.2	147.9	172.4	-162	176.1	-176.5	0	0	111.1	L210 K211 I222 Y223	L210-E214 HydrophobicContact CB-CB 4.4Å; L210-E214 HydrophobicContact CD2-CB 3.91Å; L210-E214 HydrophobicContact CD2-CG 3.64Å; K211-E214 HydrophobicContact CB-CB 4.31Å; K211-E214 VanDerWaalsContact CB-OE2 3.28Å; K211-E214 WeakPolarHBondContact CB-OE2 3.36Å; K211-E214 PolarHBondContact N-OE2 3.01Å; K211-E214 WeakPolarHBondContact O-CB 3.31Å; K211-E214 PolarHBondContact O-N 2.9Å; E214-I222 WeakPolarHBondContact O-CA 3.14Å; E214-Y223 PolarHBondContact O-N 3.01Å; E214-Y223 VanDerWaalsContact O-N 3.08Å
215	Y	92	Very high	86.9	Confident	35 Å²	35	51.5 Å²	51.5	14%	0.137	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	120.6	178.1	168.2	-119.4	0	0	0	110	K217 N220 L221 I222 L296 P298	Y215-K217 HydrophobicContact CD1-CB 4.41Å; Y215-K217 HydrophobicContact CE1-CB 3.75Å; Y215-K217 HydrophobicContact CE1-CG 4.12Å; Y215-N220 PolarHBondContact OH-OD1 3.23Å; Y215-L221 CarbonylContact C-O 3.58Å; Y215-L221 WeakPolarHBondContact CA-O 3.48Å; Y215-L221 WeakPolarHBondContact CD2-O 3.03Å; Y215-I222 HydrophobicContact CD2-CG1 3.9Å; Y215-L296 WeakPolarHBondContact OH-CD2 3.37Å; Y215-L296 WeakPolarHBondContact OH-CG 3.37Å; Y215-L296 PolarHBondContact OH-O 3.28Å; Y215-P298 HydrophobicContact CD2-CG 4Å; Y215-P298 VanDerWaalsContact CE2-CD 3.48Å; Y215-P298 HydrophobicContact CE2-CG 3.86Å; Y215-P298 HydrophobicContact CG-CG 4.42Å
216	D	91.5	Very high	87.9	Confident	32 Å²	32	45.7 Å²	45.7	17%	0.171	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	112.7	164.7	175.9	22.2	0	0	0	110.4	Y200 L210 G218 S219 N220 L221	Y200-D216 WeakPolarHBondContact OH-CB 3.08Å; Y200-D216 PolarHBondContact OH-OD2 2.81Å; L210-D216 HydrophobicContact CD1-CB 3.91Å; L210-D216 HydrophobicContact CD2-CB 4.04Å; L210-D216 HydrophobicContact CG-CB 4.41Å; D216-G218 VanDerWaalsContact C-N 3.33Å; D216-G218 WeakPolarHBondContact OD1-CA 3.44Å; D216-G218 PolarHBondContact OD1-N 3.09Å; D216-S219 WeakPolarHBondContact OD2-CB 3.47Å; D216-S219 PolarHBondContact OD2-N 2.84Å; D216-S219 VanDerWaalsContact OD2-N 3.14Å; D216-S219 PolarHBondContact OD2-OG 3.17Å; D216-N220 WeakPolarHBondContact O-CA 3.25Å; D216-N220 PolarHBondContact O-N 3.08Å; D216-L221 PolarHBondContact N-O 3.49Å; D216-L221 PolarHBondContact O-N 3.32Å; D216-L221 VanDerWaalsContact O-N 3.09Å
217	K	87.6	Confident	88.7	Confident	150 Å²	150	40.6 Å²	40.6	65%	0.652	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-23.7	175.2	-171.2	176.1	179.5	-179.4	0	113.5	Y215 N220	Y215-K217 HydrophobicContact CD1-CB 4.41Å; Y215-K217 HydrophobicContact CE1-CB 3.75Å; Y215-K217 HydrophobicContact CE1-CG 4.12Å; K217-N220 PolarHBondContact O-OD1 3.5Å
218	G	85	Confident	89.2	Confident	65 Å²	65	36.7 Å²	36.7	67%	0.67	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-43.3	177.5	0	0	0	0	0	112.2	D216	D216-G218 VanDerWaalsContact C-N 3.33Å; D216-G218 WeakPolarHBondContact OD1-CA 3.44Å; D216-G218 PolarHBondContact OD1-N 3.09Å
219	S	87.6	Confident	89.2	Confident	11 Å²	11	36.7 Å²	36.7	8%	0.077	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	0.6	-175.7	-43.7	0	0	0	0	114.3	S202 D216 L221	S202-S219 WeakPolarHBondContact CB-OG 3.5Å; S202-S219 PolarHBondContact OG-OG 2.83Å; D216-S219 WeakPolarHBondContact OD2-CB 3.47Å; D216-S219 PolarHBondContact OD2-N 2.84Å; D216-S219 VanDerWaalsContact OD2-N 3.14Å; D216-S219 PolarHBondContact OD2-OG 3.17Å; S219-L221 VanDerWaalsContact C-N 3.28Å; S219-L221 PolarHBondContact O-N 2.84Å
220	N	92.7	Very high	89.5	Confident	36 Å²	36	32.2 Å²	32.2	19%	0.193	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	44	-171.8	-62.2	-34.6	0	0	0	112.8	Y215 D216 K217 L296 F801	Y215-N220 PolarHBondContact OH-OD1 3.23Å; D216-N220 WeakPolarHBondContact O-CA 3.25Å; D216-N220 PolarHBondContact O-N 3.08Å; K217-N220 PolarHBondContact O-OD1 3.5Å; N220-L296 HydrophobicContact CB-CD2 3.96Å; N220-L296 WeakPolarHBondContact OD1-CD2 3.42Å; N220-F801 HydrophobicContact CB-CB 4.3Å; N220-F801 VanDerWaalsContact CB-O 3.3Å; N220-F801 WeakPolarHBondContact CB-O 3.25Å; N220-F801 PolarHBondContact O-N 2.96Å
221	L	93.6	Very high	89.8	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.9	-174.1	-80.6	166	0	0	0	111.6	Y200 L210 Y215 D216 S219 W632 I753 F798 I799 Q800	Y200-L221 HydrophobicContact CD2-CD1 3.88Å; Y200-L221 HydrophobicContact CE2-CD1 3.53Å; L210-L221 HydrophobicContact CD1-CB 4.38Å; Y215-L221 CarbonylContact C-O 3.58Å; Y215-L221 WeakPolarHBondContact CA-O 3.48Å; Y215-L221 WeakPolarHBondContact CD2-O 3.03Å; D216-L221 PolarHBondContact N-O 3.49Å; D216-L221 PolarHBondContact O-N 3.32Å; D216-L221 VanDerWaalsContact O-N 3.09Å; S219-L221 VanDerWaalsContact C-N 3.28Å; S219-L221 PolarHBondContact O-N 2.84Å; L221-W632 HydrophobicContact CD2-CH2 3.87Å; L221-W632 HydrophobicContact CD2-CZ2 4.05Å; L221-I753 HydrophobicContact CD1-CD1 3.5Å; L221-F798 HydrophobicContact CD2-CB 3.94Å; L221-F798 HydrophobicContact CD2-CD1 4.26Å; L221-F798 HydrophobicContact CD2-CG 4.23Å; L221-I799 WeakPolarHBondContact CA-O 3.43Å; L221-Q800 HydrophobicContact CD2-CB 3.62Å; L221-Q800 HydrophobicContact CD2-CG 3.79Å; L221-Q800 HydrophobicContact CG-CG 4.25Å
222	I	94.2	Very high	90.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	136.7	164.4	-58.4	171.8	0	0	0	108.3	E214 Y215 W282 P298 F798 I799 F801	E214-I222 WeakPolarHBondContact O-CA 3.14Å; Y215-I222 HydrophobicContact CD2-CG1 3.9Å; I222-W282 HydrophobicContact CD1-CD2 3.8Å; I222-W282 HydrophobicContact CD1-CE3 3.72Å; I222-W282 HydrophobicContact CD1-CG 4.36Å; I222-W282 HydrophobicContact CD1-CH2 4.26Å; I222-W282 HydrophobicContact CD1-CZ2 4.36Å; I222-W282 HydrophobicContact CD1-CZ3 3.95Å; I222-W282 HydrophobicContact CG2-CH2 3.41Å; I222-W282 VanDerWaalsContact CG2-CH2 3.41Å; I222-W282 HydrophobicContact CG2-CZ2 3.46Å; I222-W282 VanDerWaalsContact CG2-CZ2 3.46Å; I222-W282 HydrophobicContact CG2-CZ3 4.06Å; I222-P298 HydrophobicContact CD1-CB 3.46Å; I222-P298 VanDerWaalsContact CD1-CB 3.46Å; I222-P298 HydrophobicContact CD1-CG 4.06Å; I222-P298 HydrophobicContact CG1-CB 4.13Å; I222-P298 HydrophobicContact CG1-CG 4.43Å; I222-F798 CarbonylContact O-C 3.23Å; I222-F798 VanDerWaalsContact O-CA 3.3Å; I222-F798 WeakPolarHBondContact O-CA 3.11Å; I222-I799 HydrophobicContact CB-CB 4.38Å; I222-I799 PolarHBondContact N-O 2.85Å; I222-I799 PolarHBondContact O-N 3.13Å; I222-F801 HydrophobicContact CD1-CE2 3.48Å; I222-F801 VanDerWaalsContact CD1-CE2 3.48Å; I222-F801 HydrophobicContact CD1-CZ 3.87Å; I222-F801 HydrophobicContact CG1-CE2 3.9Å
223	Y	93.2	Very high	90.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	93.4	164	-176.8	-120.3	0	0	0	110.8	P194 S197 L210 R212 L213 E214 G225 G797 F798	P194-Y223 WeakPolarHBondContact CD-OH 3.43Å; P194-Y223 WeakPolarHBondContact O-CE1 3.38Å; P194-Y223 PolarHBondContact O-OH 2.82Å; S197-Y223 VanDerWaalsContact N-CE1 3.32Å; L210-Y223 WeakPolarHBondContact O-CD1 3.39Å; R212-Y223 WeakPolarHBondContact CA-O 3.27Å; R212-Y223 HydrophobicContact CB-CD1 4.19Å; R212-Y223 HydrophobicContact CB-CE1 4.19Å; L213-Y223 PolarHBondContact N-O 3.28Å; E214-Y223 PolarHBondContact O-N 3.01Å; E214-Y223 VanDerWaalsContact O-N 3.08Å; Y223-G225 PolarHBondContact O-N 3.46Å; Y223-G797 WeakPolarHBondContact CD2-O 3.39Å; Y223-F798 HydrophobicContact CD2-CD1 4.06Å; Y223-F798 HydrophobicContact CD2-CE1 4.09Å; Y223-F798 HydrophobicContact CG-CE1 4.42Å
224	A	89.8	Confident	90.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.138	C	C	.	.			trans	-68.3	-20.9	-179.9	0	0	0	0	0	113	V228 Q280 G797 I799	A224-V228 HydrophobicContact CB-CG2 3.8Å; A224-Q280 PolarHBondContact O-NE2 2.91Å; A224-G797 PolarHBondContact N-O 3.29Å; A224-I799 HydrophobicContact CB-CD1 3.9Å; A224-I799 HydrophobicContact CB-CG1 4.18Å
225	G	82.6	Confident	91	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.123	C	C	.	.			trans	78.3	141.5	-174.1	0	0	0	0	0	112.7	P192 Y223 S258 G797	P192-G225 WeakPolarHBondContact CB-O 3.26Å; Y223-G225 PolarHBondContact O-N 3.46Å; G225-S258 WeakPolarHBondContact O-CB 3.49Å; G225-S258 PolarHBondContact O-OG 3.36Å; G225-G797 PolarHBondContact N-O 2.88Å
226	G	82.7	Confident	90.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	66.7	168.6	-177.7	0	0	0	0	0	113.4	Q193 V228 V259 G797	Q193-G226 WeakPolarHBondContact O-CA 3.18Å; Q193-G226 PolarHBondContact O-N 2.92Å; G226-V228 PolarHBondContact O-N 2.87Å; G226-V228 VanDerWaalsContact O-N 3.13Å; G226-V259 WeakPolarHBondContact CA-O 3.46Å; G226-G797 WeakPolarHBondContact O-CA 3.41Å
227	A	86.8	Confident	90.2	Very high	11 Å²	11	20.5 Å²	20.5	9%	0.091	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	114.1	179.8	0	0	0	0	0	110.9	T229 S258 V259 S795	A227-T229 PolarHBondContact O-N 2.96Å; A227-S258 CarbonylContact O-C 3.59Å; A227-S258 VanDerWaalsContact O-CA 3.22Å; A227-S258 WeakPolarHBondContact O-CA 3.38Å; A227-V259 PolarHBondContact O-N 3.24Å; A227-S795 VanDerWaalsContact CA-O 3.23Å; A227-S795 WeakPolarHBondContact CA-O 3.2Å; A227-S795 WeakPolarHBondContact CB-O 3.33Å
228	V	92.1	Very high	89.2	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	110.9	178.4	-178	0	0	0	0	108.5	A224 G226 N776 A793 S794 I799	A224-V228 HydrophobicContact CB-CG2 3.8Å; G226-V228 PolarHBondContact O-N 2.87Å; G226-V228 VanDerWaalsContact O-N 3.13Å; V228-N776 VanDerWaalsContact O-CB 3.27Å; V228-N776 WeakPolarHBondContact O-CB 3.15Å; V228-N776 PolarHBondContact O-ND2 2.83Å; V228-A793 HydrophobicContact CB-CB 3.98Å; V228-A793 HydrophobicContact CG1-CB 3.55Å; V228-S794 PolarHBondContact N-O 2.83Å; V228-I799 HydrophobicContact CG1-CD1 4.23Å; V228-I799 HydrophobicContact CG1-CG1 4.36Å; V228-I799 HydrophobicContact CG2-CD1 4.25Å; V228-I799 HydrophobicContact CG2-CG1 4.02Å
229	T	88.5	Confident	88	Confident	42 Å²	42	13.3 Å²	13.3	26%	0.258	8%	0.079	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-33.4	-178.3	50.1	0	0	0	0	112.3	A227 S257 V259 I311	A227-T229 PolarHBondContact O-N 2.96Å; T229-S257 PolarHBondContact N-O 2.86Å; T229-V259 HydrophobicContact CG2-CG2 3.54Å; T229-I311 PolarHBondContact OG1-O 3.44Å
230	C	94.8	Very high	86.5	Confident	1 Å²	1	13.4 Å²	13.4	1%	0.007	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	137.2	-169.9	-59.4	0	0	0	0	111.1	T256 S257 I311 M314	C230-T256 WeakPolarHBondContact O-CA 3.33Å; C230-S257 PolarHBondContact N-O 3.5Å; C230-S257 PolarHBondContact O-N 2.83Å; C230-S257 VanDerWaalsContact O-N 3.14Å; C230-I311 HydrophobicContact CB-CG2 4.43Å; C230-M314 HydrophobicContact CB-CB 3.81Å; C230-M314 HydrophobicContact CB-CE 3.94Å
231	L	95.7	Very high	84.9	Confident	5 Å²	5	12.5 Å²	12.5	3%	0.026	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	119.4	-173.5	-173.7	74.6	0	0	0	109.1	L254 T256 K777 A791 A793 I799	L231-L254 HydrophobicContact CD1-CD1 3.76Å; L231-L254 HydrophobicContact CD1-CD2 3.79Å; L231-L254 HydrophobicContact CD1-CG 4.02Å; L231-L254 HydrophobicContact CG-CD1 4.17Å; L231-T256 HydrophobicContact CD1-CG2 4.14Å; L231-K777 HydrophobicContact CB-CB 3.84Å; L231-K777 HydrophobicContact CB-CG 4.49Å; L231-K777 HydrophobicContact CD2-CB 4.24Å; L231-A791 HydrophobicContact CD1-CB 4.29Å; L231-A791 HydrophobicContact CD2-CB 3.92Å; L231-A791 WeakPolarHBondContact CD2-O 3.5Å; L231-A791 HydrophobicContact CG-CB 4.37Å; L231-A793 HydrophobicContact CB-CB 4.11Å; L231-A793 HydrophobicContact CD1-CB 4.27Å; L231-A793 HydrophobicContact CD2-CB 3.88Å; L231-A793 HydrophobicContact CG-CB 4.33Å; L231-I799 HydrophobicContact CD1-CD1 4.46Å; L231-I799 HydrophobicContact CD1-CG2 4.24Å
232	S	97	Very high	83.2	Confident	18 Å²	18	14.5 Å²	14.5	13%	0.126	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	126.3	178.8	-163	0	0	0	0	112.6	A255 W316	S232-A255 PolarHBondContact N-O 2.95Å; S232-A255 PolarHBondContact O-N 2.87Å; S232-W316 PolarHBondContact O-NE1 2.86Å; S232-W316 PolarHBondContact OG-N 2.79Å
233	W	96.7	Very high	81.5	Confident	11 Å²	11	20.6 Å²	20.6	4%	0.042	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	140.7	172.2	-71.4	107	0	0	0	111.6	L254 C284 L287 R779 N781 P782 A791 F801	W233-L254 HydrophobicContact CD2-CD1 3.76Å; W233-L254 HydrophobicContact CE3-CB 4.04Å; W233-L254 HydrophobicContact CE3-CD1 4.06Å; W233-L254 HydrophobicContact CG-CD1 4.04Å; W233-L254 HydrophobicContact CZ2-CD1 4.47Å; W233-L254 HydrophobicContact CZ3-CB 4.04Å; W233-C284 HydrophobicContact CH2-CB 4.32Å; W233-C284 HydrophobicContact CZ3-CB 4.16Å; W233-L287 HydrophobicContact CH2-CD1 4.06Å; W233-R779 PolarHBondContact NE1-O 3.03Å; W233-N781 HydrophobicContact CD2-CB 4.23Å; W233-N781 HydrophobicContact CG-CB 4.5Å; W233-N781 HydrophobicContact CZ2-CB 4.29Å; W233-P782 HydrophobicContact CB-CG 3.97Å; W233-A791 HydrophobicContact CZ2-CB 3.69Å; W233-F801 AromaticContact CH2-CD1 3.88Å; W233-F801 HydrophobicContact CH2-CD1 3.88Å; W233-F801 AromaticContact CH2-CE1 3.64Å; W233-F801 HydrophobicContact CH2-CE1 3.64Å; W233-F801 HydrophobicContact CZ2-CD1 4.07Å; W233-F801 HydrophobicContact CZ2-CE1 4.04Å
234	C	95.1	Very high	79.9	Confident	9 Å²	9	23 Å²	23	6%	0.061	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-62.9	141.5	169.3	-177.1	0	0	0	0	110.2	F253 W316	C234-F253 HydrophobicContact CB-CB 3.83Å; C234-F253 WeakPolarHBondContact CB-O 3.47Å; C234-F253 PolarHBondContact N-O 3.3Å; C234-W316 HydrophobicContact CB-CD2 4.12Å; C234-W316 HydrophobicContact CB-CE3 4.46Å; C234-W316 HydrophobicContact CB-CH2 4.22Å; C234-W316 HydrophobicContact CB-CZ2 3.87Å
235	P	91.7	Very high	78.6	Confident	11 Å²	11	31.5 Å²	31.5	7%	0.071	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-59.1	150.7	169.4	28.5	-39	0	0	0	111.2	I317	P235-I317 WeakPolarHBondContact CG-O 3.39Å
236	P	86.2	Confident	77.6	Confident	16 Å²	16	34.6 Å²	34.6	10%	0.104	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-60.3	141.9	172	23.8	-31.7	0	0	0	110.9	L143 F147 L238 N783	L143-P236 HydrophobicContact CD1-CG 3.81Å; F147-P236 WeakPolarHBondContact CZ-O 3.1Å; P236-L238 HydrophobicContact CB-CD1 3.96Å; P236-L238 HydrophobicContact CB-CG 3.95Å; P236-N783 HydrophobicContact CB-CB 4.08Å
237	R	80.4	Confident	77.1	Confident	44 Å²	44	35.4 Å²	35.4	17%	0.166	20%	0.201	C	C	.	.			trans	-95.7	-24.3	176.6	-63.8	177.5	78.5	-129.4	7.4	112.1	F147 S239 E250 F322 D346 V348 L349 T368	F147-R237 WeakPolarHBondContact CE1-O 3.42Å; F147-R237 WeakPolarHBondContact CZ-O 3.24Å; R237-S239 PolarHBondContact O-N 2.73Å; R237-E250 WeakPolarHBondContact CA-OE2 3.27Å; R237-E250 WeakPolarHBondContact CB-OE2 3.37Å; R237-E250 PolarHBondContact N-OE2 2.78Å; R237-F322 HydrophobicContact CB-CE2 4.42Å; R237-D346 PolarHBondContact NH2-O 3.19Å; R237-V348 PolarHBondContact NE-O 3.28Å; R237-V348 PolarHBondContact NH2-O 3.29Å; R237-L349 VanDerWaalsContact CD-O 3.3Å; R237-L349 WeakPolarHBondContact CD-O 3.36Å; R237-L349 PolarHBondContact NE-O 3.09Å; R237-T368 VanDerWaalsContact CZ-CG2 3.45Å; R237-T368 VanDerWaalsContact NH2-CG2 3.26Å
238	L	65.9	Low	76.3	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.005	22%	0.22	C	C	.	.			trans	4.4	61.3	174.8	-65.9	178.5	0	0	0	115.7	F147 P236 S240 L241 I247 V248 E250 T785	F147-L238 HydrophobicContact CZ-CB 4.47Å; P236-L238 HydrophobicContact CB-CD1 3.96Å; P236-L238 HydrophobicContact CB-CG 3.95Å; L238-S240 PolarHBondContact O-N 3.01Å; L238-L241 HydrophobicContact CB-CD1 3.82Å; L238-L241 HydrophobicContact CB-CG 4.24Å; L238-L241 HydrophobicContact CD1-CD1 3.65Å; L238-L241 HydrophobicContact CD1-CG 4.45Å; L238-L241 HydrophobicContact CG-CD1 4.39Å; L238-L241 WeakPolarHBondContact O-CB 3.47Å; L238-L241 PolarHBondContact O-N 2.87Å; L238-L241 VanDerWaalsContact O-N 3.16Å; L238-I247 HydrophobicContact CD1-CG2 4.43Å; L238-I247 HydrophobicContact CD2-CG2 3.94Å; L238-V248 WeakPolarHBondContact CD2-O 3.42Å; L238-E250 VanDerWaalsContact CA-OE1 3.27Å; L238-E250 WeakPolarHBondContact CA-OE1 3.43Å; L238-E250 HydrophobicContact CD2-CB 4.48Å; L238-E250 HydrophobicContact CD2-CG 4.05Å; L238-E250 PolarHBondContact N-OE1 2.69Å; L238-E250 PolarHBondContact N-OE2 2.87Å; L238-T785 HydrophobicContact CD2-CG2 4.38Å
239	S	60.1	Low	75.5	Confident	63 Å²	63	41.6 Å²	41.6	44%	0.441	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-63.6	-29.4	176.6	56.5	0	0	0	0	111.5	R237 L241 L242	R237-S239 PolarHBondContact O-N 2.73Å; S239-L241 PolarHBondContact O-N 3.22Å; S239-L242 PolarHBondContact O-N 3.24Å; S239-L242 VanDerWaalsContact O-N 3.14Å
240	S	56.7	Low	75.2	Confident	13 Å²	13	41.5 Å²	41.5	9%	0.091	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-55.5	-28.2	174.5	59	0	0	0	0	114.3	L238 L242 D243 S244 V248	L238-S240 PolarHBondContact O-N 3.01Å; S240-L242 PolarHBondContact O-N 3.05Å; S240-L242 VanDerWaalsContact O-N 3.16Å; S240-D243 PolarHBondContact O-N 3.2Å; S240-S244 WeakPolarHBondContact O-CB 3.41Å; S240-S244 PolarHBondContact O-N 3.4Å; S240-V248 PolarHBondContact OG-N 3.39Å
241	L	58.6	Low	75	Confident	18 Å²	18	44 Å²	44	9%	0.094	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-64.2	-17.8	178	-91.1	170.8	0	0	0	114.5	L143 K144 L238 S239 I247	L143-L241 HydrophobicContact CD2-CD1 3.17Å; K144-L241 HydrophobicContact CG-CD2 4.03Å; L238-L241 HydrophobicContact CB-CD1 3.82Å; L238-L241 HydrophobicContact CB-CG 4.24Å; L238-L241 HydrophobicContact CD1-CD1 3.65Å; L238-L241 HydrophobicContact CD1-CG 4.45Å; L238-L241 HydrophobicContact CG-CD1 4.39Å; L238-L241 WeakPolarHBondContact O-CB 3.47Å; L238-L241 PolarHBondContact O-N 2.87Å; L238-L241 VanDerWaalsContact O-N 3.16Å; S239-L241 PolarHBondContact O-N 3.22Å; L241-I247 HydrophobicContact CD2-CD1 3.45Å; L241-I247 VanDerWaalsContact CD2-CD1 3.45Å; L241-I247 HydrophobicContact CD2-CG1 3.72Å; L241-I247 HydrophobicContact CG-CD1 4.21Å; L241-I247 HydrophobicContact CG-CG1 4.18Å; L241-I247 HydrophobicContact CG-CG2 4.49Å
242	L	58	Low	74.9	Confident	41 Å²	41	44 Å²	44	22%	0.215	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-93.3	-17.5	-177.2	-74.9	175.6	0	0	0	114.1	F147 S239 S240 K326	F147-L242 HydrophobicContact CB-CD1 4.13Å; F147-L242 HydrophobicContact CB-CD2 3.9Å; F147-L242 HydrophobicContact CB-CG 4.07Å; F147-L242 HydrophobicContact CD1-CD1 4.27Å; S239-L242 PolarHBondContact O-N 3.24Å; S239-L242 VanDerWaalsContact O-N 3.14Å; S240-L242 PolarHBondContact O-N 3.05Å; S240-L242 VanDerWaalsContact O-N 3.16Å; L242-K326 HydrophobicContact CD1-CD 4.48Å; L242-K326 PolarHBondContact O-NZ 3.17Å; L242-K326 VanDerWaalsContact O-NZ 3.13Å
243	D	59.8	Low	74.8	Confident	128 Å²	128	44.3 Å²	44.3	68%	0.684	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-147.6	-7.8	-163.7	-67.3	-66.3	0	0	0	115	S240 K326	S240-D243 PolarHBondContact O-N 3.2Å; D243-K326 IonicContact OD1-NZ 3.5Å; D243-K326 PolarHBondContact OD1-NZ 2.68Å; D243-K326 VanDerWaalsContact OD2-CE 3.22Å; D243-K326 WeakPolarHBondContact OD2-CE 3.41Å; D243-K326 IonicContact OD2-NZ 2.63Å; D243-K326 PolarHBondContact OD2-NZ 2.59Å
244	S	59.4	Low	74.8	Confident	52 Å²	52	43.8 Å²	43.8	36%	0.364	25%	0.246	S	C	.	.			trans	-120.6	139.3	-177.7	176.9	0	0	0	0	111.8	S240 S246	S240-S244 WeakPolarHBondContact O-CB 3.41Å; S240-S244 PolarHBondContact O-N 3.4Å; S244-S246 VanDerWaalsContact CB-O 3.32Å; S244-S246 WeakPolarHBondContact CB-O 3.29Å; S244-S246 PolarHBondContact O-N 3.34Å; S244-S246 PolarHBondContact OG-N 3.25Å; S244-S246 PolarHBondContact OG-O 3.34Å; S244-S246 PolarHBondContact OG-OG 3.25Å
245	E	61.2	Low	74.9	Confident	177 Å²	177	43.4 Å²	43.4	83%	0.827	24%	0.243	S	C	*	.	S	Bend	trans	-65	-23.1	168.2	-65.3	-172.4	160.8	0	0	112.2	N817	E245-N817 PolarHBondContact O-ND2 3.16Å
246	S	62.8	Low	75.2	Confident	65 Å²	65	42.9 Å²	42.9	46%	0.455	24%	0.24	S	C	.	.	S	Bend	trans	-109.8	127.5	176.7	63.4	0	0	0	0	111.6	S244 V248	S244-S246 VanDerWaalsContact CB-O 3.32Å; S244-S246 WeakPolarHBondContact CB-O 3.29Å; S244-S246 PolarHBondContact O-N 3.34Å; S244-S246 PolarHBondContact OG-N 3.25Å; S244-S246 PolarHBondContact OG-O 3.34Å; S244-S246 PolarHBondContact OG-OG 3.25Å; S246-V248 PolarHBondContact O-N 3.11Å
247	I	71.1	Confident	75.6	Confident	17 Å²	17	42.2 Å²	42.2	9%	0.087	24%	0.236	C	C	.	.			trans	-78.2	112.6	175.9	-60.7	173.2	0	0	0	107.9	L140 L238 L241 T785 L816 R818	L140-I247 HydrophobicContact CD2-CD1 4.4Å; L238-I247 HydrophobicContact CD1-CG2 4.43Å; L238-I247 HydrophobicContact CD2-CG2 3.94Å; L241-I247 HydrophobicContact CD2-CD1 3.45Å; L241-I247 VanDerWaalsContact CD2-CD1 3.45Å; L241-I247 HydrophobicContact CD2-CG1 3.72Å; L241-I247 HydrophobicContact CG-CD1 4.21Å; L241-I247 HydrophobicContact CG-CG1 4.18Å; L241-I247 HydrophobicContact CG-CG2 4.49Å; I247-T785 HydrophobicContact CG2-CG2 3.84Å; I247-L816 HydrophobicContact CD1-CB 4.49Å; I247-L816 HydrophobicContact CD1-CD2 3.59Å; I247-R818 PolarHBondContact O-NH2 2.75Å
248	V	71	Confident	76	Confident	82 Å²	82	40.4 Å²	40.4	50%	0.497	23%	0.23	S	C	.	.			trans	-69.6	137.2	178.1	179.6	0	0	0	0	109.3	L238 S240 S246 E250	L238-V248 WeakPolarHBondContact CD2-O 3.42Å; S240-V248 PolarHBondContact OG-N 3.39Å; S246-V248 PolarHBondContact O-N 3.11Å; V248-E250 PolarHBondContact O-N 3.5Å
249	N	75.7	Confident	76.9	Confident	60 Å²	60	40.8 Å²	40.8	32%	0.321	23%	0.232	S	C	.	.			trans	-72	122.9	172.9	-99.3	-15.9	0	0	0	110.5	V286 R818	N249-V286 HydrophobicContact CB-CG1 3.62Å; N249-R818 PolarHBondContact OD1-NH1 3.43Å; N249-R818 PolarHBondContact OD1-NH2 2.96Å
250	E	82.2	Confident	77.5	Confident	40 Å²	40	39.1 Å²	39.1	19%	0.187	22%	0.22	C	C	.	.			trans	-106.8	154.4	175.4	-70.3	-177.8	167.1	0	0	111.5	R237 L238 V248	R237-E250 WeakPolarHBondContact CA-OE2 3.27Å; R237-E250 WeakPolarHBondContact CB-OE2 3.37Å; R237-E250 PolarHBondContact N-OE2 2.78Å; L238-E250 VanDerWaalsContact CA-OE1 3.27Å; L238-E250 WeakPolarHBondContact CA-OE1 3.43Å; L238-E250 HydrophobicContact CD2-CB 4.48Å; L238-E250 HydrophobicContact CD2-CG 4.05Å; L238-E250 PolarHBondContact N-OE1 2.69Å; L238-E250 PolarHBondContact N-OE2 2.87Å; V248-E250 PolarHBondContact O-N 3.5Å
251	C	89.6	Confident	78.2	Confident	52 Å²	52	40.5 Å²	40.5	35%	0.351	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	136.8	172.6	-62.7	0	0	0	0	111.2	F253 N283 G285	C251-F253 HydrophobicContact CB-CD2 4.38Å; C251-F253 HydrophobicContact CB-CE2 3.69Å; C251-F253 HydrophobicContact CB-CZ 4.15Å; C251-F253 WeakPolarHBondContact O-CD2 3.28Å; C251-N283 WeakPolarHBondContact CB-OD1 3.25Å; C251-G285 CarbonylContact C-O 3.54Å; C251-G285 VanDerWaalsContact CA-O 3.27Å; C251-G285 WeakPolarHBondContact CA-O 3.28Å
252	S	93.4	Very high	78.5	Confident	6 Å²	6	40.6 Å²	40.6	4%	0.042	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	135.7	171.9	-65	0	0	0	0	110.2	C284 G285 N781 S786	S252-C284 WeakPolarHBondContact O-CB 3.36Å; S252-C284 PolarHBondContact O-N 3.03Å; S252-G285 PolarHBondContact N-O 3.4Å; S252-N781 WeakPolarHBondContact CB-ND2 3.23Å; S252-N781 PolarHBondContact OG-ND2 3.1Å; S252-S786 PolarHBondContact OG-OG 3.16Å
253	F	95	Very high	78.9	Confident	25 Å²	25	43 Å²	43	11%	0.11	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	139.6	179.8	-66.9	-101.5	0	0	0	111.5	C234 C251 W282 N283 H301 L349	C234-F253 HydrophobicContact CB-CB 3.83Å; C234-F253 WeakPolarHBondContact CB-O 3.47Å; C234-F253 PolarHBondContact N-O 3.3Å; C251-F253 HydrophobicContact CB-CD2 4.38Å; C251-F253 HydrophobicContact CB-CE2 3.69Å; C251-F253 HydrophobicContact CB-CZ 4.15Å; C251-F253 WeakPolarHBondContact O-CD2 3.28Å; F253-W282 CarbonylContact C-O 3.54Å; F253-W282 VanDerWaalsContact CA-O 3.22Å; F253-W282 WeakPolarHBondContact CA-O 3.29Å; F253-N283 HydrophobicContact CD1-CB 3.94Å; F253-N283 HydrophobicContact CE1-CB 3.63Å; F253-N283 HydrophobicContact CZ-CB 4.35Å; F253-H301 HydrophobicContact CD1-CB 4.43Å; F253-H301 AromaticContact CD1-CD2 3.95Å; F253-H301 HydrophobicContact CE1-CB 4.34Å; F253-H301 AromaticContact CE1-CD2 3.71Å; F253-H301 AromaticContact CE1-CG 3.79Å; F253-H301 AromaticContact CE1-NE2 3.95Å; F253-L349 HydrophobicContact CB-CD2 3.91Å; F253-L349 HydrophobicContact CD1-CD1 4.38Å; F253-L349 HydrophobicContact CD1-CD2 3.67Å; F253-L349 HydrophobicContact CD2-CD1 3.56Å; F253-L349 HydrophobicContact CD2-CD2 4.05Å; F253-L349 HydrophobicContact CD2-CG 4.34Å; F253-L349 HydrophobicContact CE1-CD1 4.29Å; F253-L349 HydrophobicContact CE1-CD2 4.12Å; F253-L349 HydrophobicContact CE2-CD1 3.46Å; F253-L349 VanDerWaalsContact CE2-CD1 3.46Å; F253-L349 HydrophobicContact CE2-CD2 4.47Å; F253-L349 HydrophobicContact CG-CD1 4.04Å; F253-L349 HydrophobicContact CG-CD2 3.62Å; F253-L349 HydrophobicContact CG-CG 4.39Å; F253-L349 HydrophobicContact CZ-CD1 3.85Å
254	L	97	Very high	79.2	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	124.1	-175.7	-177.5	73.8	0	0	0	110.3	L231 W233 T256 I281 W282 A791 I799 F801	L231-L254 HydrophobicContact CD1-CD1 3.76Å; L231-L254 HydrophobicContact CD1-CD2 3.79Å; L231-L254 HydrophobicContact CD1-CG 4.02Å; L231-L254 HydrophobicContact CG-CD1 4.17Å; W233-L254 HydrophobicContact CD2-CD1 3.76Å; W233-L254 HydrophobicContact CE3-CB 4.04Å; W233-L254 HydrophobicContact CE3-CD1 4.06Å; W233-L254 HydrophobicContact CG-CD1 4.04Å; W233-L254 HydrophobicContact CZ2-CD1 4.47Å; W233-L254 HydrophobicContact CZ3-CB 4.04Å; L254-T256 HydrophobicContact CD2-CG2 3.89Å; L254-T256 HydrophobicContact CG-CG2 3.9Å; L254-I281 WeakPolarHBondContact O-CA 3.46Å; L254-W282 HydrophobicContact CB-CB 4.36Å; L254-W282 PolarHBondContact N-O 2.94Å; L254-W282 PolarHBondContact O-N 3.21Å; L254-A791 HydrophobicContact CD1-CB 3.98Å; L254-A791 HydrophobicContact CD2-CB 4.16Å; L254-I799 HydrophobicContact CD2-CG2 4.01Å; L254-F801 HydrophobicContact CD2-CE1 3.78Å; L254-F801 HydrophobicContact CD2-CZ 3.66Å
255	A	97.5	Very high	79.6	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	134.7	170.7	0	0	0	0	0	110.2	S232 Q280 I281 M314 W316 L352	S232-A255 PolarHBondContact N-O 2.95Å; S232-A255 PolarHBondContact O-N 2.87Å; A255-Q280 WeakPolarHBondContact CA-O 3.5Å; A255-I281 HydrophobicContact CB-CD1 3.66Å; A255-M314 HydrophobicContact CB-CE 3.69Å; A255-M314 HydrophobicContact CB-SD 4.18Å; A255-M314 WeakPolarHBondContact O-CE 3.46Å; A255-W316 HydrophobicContact CB-CZ2 3.92Å; A255-L352 HydrophobicContact CB-CD1 3.82Å; A255-L352 HydrophobicContact CB-CD2 4.16Å
256	T	96.7	Very high	80.4	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	150.5	-178	86	0	0	0	0	110.2	C230 L231 L254 I279 Q280 I799	C230-T256 WeakPolarHBondContact O-CA 3.33Å; L231-T256 HydrophobicContact CD1-CG2 4.14Å; L254-T256 HydrophobicContact CD2-CG2 3.89Å; L254-T256 HydrophobicContact CG-CG2 3.9Å; T256-I279 WeakPolarHBondContact O-CA 3.47Å; T256-Q280 PolarHBondContact N-O 2.92Å; T256-Q280 PolarHBondContact O-N 3.23Å; T256-Q280 WeakPolarHBondContact OG1-CB 3.38Å; T256-Q280 PolarHBondContact OG1-OE1 3.3Å; T256-I799 HydrophobicContact CG2-CD1 3.37Å
257	S	94.6	Very high	81.4	Confident	3 Å²	3	34.2 Å²	34.2	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	144.1	167.2	-172	0	0	0	0	110	T229 C230 V278 I311	T229-S257 PolarHBondContact N-O 2.86Å; C230-S257 PolarHBondContact N-O 3.5Å; C230-S257 PolarHBondContact O-N 2.83Å; C230-S257 VanDerWaalsContact O-N 3.14Å; S257-V278 PolarHBondContact OG-O 2.86Å; S257-I311 WeakPolarHBondContact OG-CG1 3.44Å
258	S	90.4	Very high	82.1	Confident	5 Å²	5	36 Å²	36	4%	0.035	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	148.8	-175.3	56	0	0	0	0	112	P192 G225 A227	P192-S258 WeakPolarHBondContact CG-OG 3.16Å; G225-S258 WeakPolarHBondContact O-CB 3.49Å; G225-S258 PolarHBondContact O-OG 3.36Å; A227-S258 CarbonylContact O-C 3.59Å; A227-S258 VanDerWaalsContact O-CA 3.22Å; A227-S258 WeakPolarHBondContact O-CA 3.38Å
259	V	83.5	Confident	82.7	Confident	9 Å²	9	36.1 Å²	36.1	6%	0.055	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	137.3	179.3	-169.4	0	0	0	0	109.4	G226 A227 T229 T261 S264 R310	G226-V259 WeakPolarHBondContact CA-O 3.46Å; A227-V259 PolarHBondContact O-N 3.24Å; T229-V259 HydrophobicContact CG2-CG2 3.54Å; V259-T261 VanDerWaalsContact C-N 3.25Å; V259-T261 PolarHBondContact O-N 3.11Å; V259-T261 VanDerWaalsContact O-N 3.09Å; V259-S264 WeakPolarHBondContact CG1-OG 3.42Å; V259-R310 HydrophobicContact CG1-CG 4.33Å
260	P	72.4	Confident	83.3	Confident	28 Å²	28	34.9 Å²	34.9	18%	0.182	20%	0.197	C	C	.	.	S	Bend	trans	-54.8	-31.3	-173.6	-31.9	37	0	0	0	116.3	Q193	Q193-P260 WeakPolarHBondContact CA-O 3.3Å; Q193-P260 VanDerWaalsContact CB-O 3.32Å; Q193-P260 WeakPolarHBondContact CB-O 3.26Å; Q193-P260 PolarHBondContact N-O 3.07Å
261	T	71.4	Confident	83.7	Confident	42 Å²	42	41.3 Å²	41.3	26%	0.258	22%	0.224	S	C	.	.	S	Bend	trans	-132.1	139.9	173	65.3	0	0	0	0	110.6	Q193 V259 D263 S264	Q193-T261 HydrophobicContact CB-CG2 4.46Å; V259-T261 VanDerWaalsContact C-N 3.25Å; V259-T261 PolarHBondContact O-N 3.11Å; V259-T261 VanDerWaalsContact O-N 3.09Å; T261-D263 VanDerWaalsContact C-N 3.3Å; T261-D263 WeakPolarHBondContact CB-OD1 3.35Å; T261-D263 PolarHBondContact O-N 3.02Å; T261-D263 PolarHBondContact OG1-OD1 3.49Å; T261-S264 PolarHBondContact O-N 3.31Å; T261-S264 PolarHBondContact O-OG 2.96Å; T261-S264 VanDerWaalsContact OG1-CB 3.25Å; T261-S264 WeakPolarHBondContact OG1-CB 3.23Å; T261-S264 PolarHBondContact OG1-OG 3.34Å
262	P	66.6	Low	83.8	Confident	21 Å²	21	40.9 Å²	40.9	14%	0.136	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-22.7	-170.5	-18.2	33.2	0	0	0	114.3	Q193 S264 W742	Q193-P262 WeakPolarHBondContact O-CD 3.27Å; Q193-P262 WeakPolarHBondContact O-CG 3.15Å; P262-S264 VanDerWaalsContact C-N 3.29Å; P262-W742 HydrophobicContact CB-CD2 3.48Å; P262-W742 VanDerWaalsContact CB-CD2 3.48Å; P262-W742 VanDerWaalsContact CB-CE2 3.5Å; P262-W742 HydrophobicContact CB-CE3 3.54Å; P262-W742 HydrophobicContact CB-CG 4.14Å; P262-W742 HydrophobicContact CB-CH2 3.71Å; P262-W742 HydrophobicContact CB-CZ2 3.62Å; P262-W742 HydrophobicContact CB-CZ3 3.66Å; P262-W742 HydrophobicContact CG-CD2 4.33Å; P262-W742 HydrophobicContact CG-CE3 4.18Å; P262-W742 HydrophobicContact CG-CZ3 4.48Å; P262-W742 VanDerWaalsContact O-CZ2 3.27Å; P262-W742 WeakPolarHBondContact O-CZ2 3.37Å; P262-W742 PolarHBondContact O-NE1 3.47Å
263	D	64.5	Low	83.6	Confident	92 Å²	92	45.4 Å²	45.4	49%	0.492	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-20.9	174	60.6	-13.7	0	0	0	113.6	T261 Q265 W742	T261-D263 VanDerWaalsContact C-N 3.3Å; T261-D263 WeakPolarHBondContact CB-OD1 3.35Å; T261-D263 PolarHBondContact O-N 3.02Å; T261-D263 PolarHBondContact OG1-OD1 3.49Å; D263-Q265 PolarHBondContact O-N 2.9Å; D263-W742 VanDerWaalsContact CA-NE1 3.32Å
264	S	67.6	Low	83.3	Confident	30 Å²	30	50.1 Å²	50.1	21%	0.21	26%	0.262	C	S	.	.			trans	-85.7	86.3	-164.8	78.3	0	0	0	0	112.3	V259 T261 P262 R310	V259-S264 WeakPolarHBondContact CG1-OG 3.42Å; T261-S264 PolarHBondContact O-N 3.31Å; T261-S264 PolarHBondContact O-OG 2.96Å; T261-S264 VanDerWaalsContact OG1-CB 3.25Å; T261-S264 WeakPolarHBondContact OG1-CB 3.23Å; T261-S264 PolarHBondContact OG1-OG 3.34Å; P262-S264 VanDerWaalsContact C-N 3.29Å; S264-R310 VanDerWaalsContact O-CZ 3.3Å; S264-R310 PolarHBondContact O-NH1 3.4Å; S264-R310 PolarHBondContact O-NH2 3.41Å; S264-R310 PolarHBondContact OG-NH2 2.69Å
265	Q	68.1	Low	82.9	Confident	108 Å²	108	51.9 Å²	51.9	51%	0.505	27%	0.274	S	S	.	.			trans	-64.3	146.6	175.2	-62.2	-179.8	-1	0	0	111.7	D263 R310	D263-Q265 PolarHBondContact O-N 2.9Å; Q265-R310 PolarHBondContact O-NH1 2.98Å
266	T	76.6	Confident	82.5	Confident	48 Å²	48	53.4 Å²	53.4	29%	0.294	29%	0.285	S	S	.	.			trans	-102.2	110.5	169.5	-49.4	0	0	0	0	108.1	R310 W408	T266-R310 VanDerWaalsContact CA-NH1 3.27Å; T266-R310 WeakPolarHBondContact OG1-CD 3.37Å; T266-R310 PolarHBondContact OG1-NH1 3.28Å; T266-W408 HydrophobicContact CG2-CH2 3.75Å; T266-W408 HydrophobicContact CG2-CZ2 3.86Å
267	L	83.9	Confident	82.2	Confident	50 Å²	50	53.7 Å²	53.7	26%	0.262	29%	0.287	S	S	.	.			trans	-85	139.8	176.3	-60.6	178.5	0	0	0	108.8	S269 D270 W408	L267-S269 PolarHBondContact O-N 2.76Å; L267-S269 VanDerWaalsContact O-N 3.07Å; L267-D270 PolarHBondContact N-OD2 2.69Å; L267-D270 WeakPolarHBondContact O-CB 3.23Å; L267-D270 PolarHBondContact O-N 2.91Å; L267-W408 WeakPolarHBondContact O-CZ2 3.29Å
268	Y	85.4	Confident	82	Confident	54 Å²	54	53.6 Å²	53.6	21%	0.212	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-14.6	176.6	-67	-69	0	0	0	113.6	W408 T410 T427 P463 L482	Y268-W408 AromaticContact CD1-CH2 3.71Å; Y268-W408 HydrophobicContact CD1-CH2 3.71Å; Y268-W408 HydrophobicContact CD1-CZ2 4.37Å; Y268-W408 HydrophobicContact CD1-CZ3 4.33Å; Y268-W408 HydrophobicContact CE1-CH2 4.22Å; Y268-T410 HydrophobicContact CD1-CG2 3.8Å; Y268-T410 HydrophobicContact CE1-CG2 3.7Å; Y268-T427 HydrophobicContact CD1-CG2 3.92Å; Y268-T427 VanDerWaalsContact O-CG2 3.32Å; Y268-T427 WeakPolarHBondContact O-CG2 3.41Å; Y268-P463 VanDerWaalsContact CB-CG 3.49Å; Y268-P463 HydrophobicContact CD1-CB 3.76Å; Y268-P463 HydrophobicContact CD1-CG 4.22Å; Y268-P463 HydrophobicContact CD2-CB 4.35Å; Y268-P463 HydrophobicContact CD2-CG 4.37Å; Y268-P463 HydrophobicContact CE1-CB 4.26Å; Y268-P463 HydrophobicContact CG-CB 3.8Å; Y268-P463 HydrophobicContact CG-CG 3.8Å; Y268-L482 HydrophobicContact CD2-CD1 4.21Å; Y268-L482 HydrophobicContact CD2-CD2 3.72Å; Y268-L482 HydrophobicContact CE2-CD1 3.94Å; Y268-L482 HydrophobicContact CE2-CD2 4.29Å; Y268-L482 HydrophobicContact CG-CD2 4.47Å
269	S	85.5	Confident	82.2	Confident	85 Å²	85	53.4 Å²	53.4	59%	0.594	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-8	170.8	53.6	0	0	0	0	114.2	L267 K271	L267-S269 PolarHBondContact O-N 2.76Å; L267-S269 VanDerWaalsContact O-N 3.07Å; S269-K271 PolarHBondContact O-N 2.9Å
270	D	87.7	Confident	82.6	Confident	34 Å²	34	53.1 Å²	53.1	18%	0.182	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-60.1	137.2	174.6	-87.5	-56	0	0	0	110.7	L267 K273 W408	L267-D270 PolarHBondContact N-OD2 2.69Å; L267-D270 WeakPolarHBondContact O-CB 3.23Å; L267-D270 PolarHBondContact O-N 2.91Å; D270-K273 IonicContact OD1-NZ 2.65Å; D270-K273 PolarHBondContact OD1-NZ 3.5Å; D270-W408 PolarHBondContact O-NE1 2.73Å
271	K	89.2	Confident	83.6	Confident	176 Å²	176	51.8 Å²	51.8	77%	0.765	27%	0.274	S	S	*	.	P	Polyproline II helix	trans	-64.1	159.5	167.6	-63.2	-174.9	-179.4	-178.8	0	110.5	S269 K273	S269-K271 PolarHBondContact O-N 2.9Å; K271-K273 PolarHBondContact O-N 3.35Å
272	M	91.8	Very high	84.7	Confident	43 Å²	43	49.9 Å²	49.9	21%	0.212	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-53.9	135.1	167.4	-60.8	169.9	-165.2	0	0	109.4	Q357 N402 G407 W408	M272-Q357 VanDerWaalsContact CA-O 3.26Å; M272-Q357 WeakPolarHBondContact CA-O 3.16Å; M272-N402 HydrophobicContact CE-CB 4.46Å; M272-N402 WeakPolarHBondContact CE-ND2 3.41Å; M272-N402 HydrophobicContact SD-CB 4.39Å; M272-G407 VanDerWaalsContact CE-C 3.49Å; M272-G407 WeakPolarHBondContact CE-O 3.49Å; M272-W408 HydrophobicContact CG-CB 4.3Å
273	K	89.7	Confident	86	Confident	100 Å²	100	50.8 Å²	50.8	44%	0.435	27%	0.266	S	S	.	.			trans	-142	132.8	-175.2	-78.1	169.6	-179.5	167.7	0	109.7	D270 K271 G309 Q357	D270-K273 IonicContact OD1-NZ 2.65Å; D270-K273 PolarHBondContact OD1-NZ 3.5Å; K271-K273 PolarHBondContact O-N 3.35Å; K273-G309 VanDerWaalsContact O-CA 3.23Å; K273-G309 WeakPolarHBondContact O-CA 3.05Å; K273-Q357 PolarHBondContact N-O 2.85Å
274	N	89.6	Confident	87.4	Confident	124 Å²	124	46.4 Å²	46.4	66%	0.663	24%	0.243	S	C	*	.			trans	-89.2	123.8	164.6	-61	-0.7	0	0	0	107.1	D307 D358	N274-D307 WeakPolarHBondContact CA-O 3.33Å; N274-D307 WeakPolarHBondContact CB-O 3.42Å; N274-D358 WeakPolarHBondContact OD1-CB 3.47Å
275	C	88.9	Confident	88.5	Confident	37 Å²	37	45.5 Å²	45.5	25%	0.25	24%	0.239	C	C	.	.			trans	-144.7	153	172	76.8	0	0	0	0	109.2	D307 G309	C275-D307 PolarHBondContact N-O 2.95Å; C275-D307 CarbonylContact O-C 3.59Å; C275-D307 VanDerWaalsContact O-C 3.24Å; C275-D307 WeakPolarHBondContact O-CA 3.3Å; C275-G309 WeakPolarHBondContact O-CA 3.15Å; C275-G309 PolarHBondContact O-N 2.88Å; C275-G309 VanDerWaalsContact SG-C 3.58Å; C275-G309 VanDerWaalsContact SG-CA 3.52Å
276	P	88.9	Confident	89.7	Confident	33 Å²	33	42 Å²	42	21%	0.214	23%	0.225	C	C	.	.			trans	-65.6	152.4	176.6	29.2	-36.3	0	0	0	111	D189 H190 H306	D189-P276 HydrophobicContact CB-CG 4.31Å; D189-P276 WeakPolarHBondContact O-CG 2.99Å; H190-P276 HydrophobicContact CB-CB 4.37Å; H190-P276 VanDerWaalsContact CE1-CB 3.49Å; H190-P276 WeakPolarHBondContact CE1-CB 3.18Å; H190-P276 WeakPolarHBondContact ND1-CB 3.41Å; P276-H306 CarbonylContact C-O 3.54Å; P276-H306 VanDerWaalsContact CA-O 3.31Å; P276-H306 WeakPolarHBondContact CA-O 3.47Å
277	G	89.5	Confident	90.5	Very high	5 Å²	5	39.8 Å²	39.8	5%	0.052	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.9	178.1	176.1	0	0	0	0	0	112.2	H306	G277-H306 PolarHBondContact N-O 2.87Å; G277-H306 PolarHBondContact O-N 3.46Å; G277-H306 VanDerWaalsContact O-N 3.08Å
278	V	90.9	Very high	90.8	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.012	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	148.6	177	-67.6	0	0	0	0	112.8	I186 H190 P192 S257 Q280 I303 I304	I186-V278 HydrophobicContact CG2-CG1 4.33Å; H190-V278 HydrophobicContact CB-CG1 4.2Å; P192-V278 HydrophobicContact CG-CG2 3.79Å; S257-V278 PolarHBondContact OG-O 2.86Å; V278-Q280 HydrophobicContact CG2-CG 4.46Å; V278-I303 HydrophobicContact CB-CG2 4.09Å; V278-I303 HydrophobicContact CG1-CG2 3.91Å; V278-I304 VanDerWaalsContact CA-O 3.26Å; V278-I304 WeakPolarHBondContact CA-O 3.06Å
279	I	94	Very high	91.1	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.9	161.9	-60	164.8	0	0	0	106.8	T256 I281 I304 W308 I311 M314 L352 V354 F364	T256-I279 WeakPolarHBondContact O-CA 3.47Å; I279-I281 HydrophobicContact CG2-CD1 4.12Å; I279-I304 HydrophobicContact CB-CB 4.22Å; I279-I304 HydrophobicContact CB-CD1 4.25Å; I279-I304 HydrophobicContact CG2-CD1 4.25Å; I279-I304 PolarHBondContact N-O 3.06Å; I279-I304 PolarHBondContact O-N 2.7Å; I279-W308 HydrophobicContact CD1-CZ3 4.19Å; I279-I311 HydrophobicContact CD1-CD1 4.45Å; I279-I311 HydrophobicContact CD1-CG1 4.3Å; I279-I311 HydrophobicContact CG1-CG1 4.1Å; I279-M314 HydrophobicContact CG2-SD 3.94Å; I279-L352 HydrophobicContact CG2-CD2 4.04Å; I279-V354 HydrophobicContact CD1-CG1 3.96Å; I279-V354 HydrophobicContact CD1-CG2 3.89Å; I279-F364 HydrophobicContact CD1-CZ 4.02Å
280	Q	92.8	Very high	91.5	Very high	3 Å²	3	31.1 Å²	31.1	1%	0.014	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130.7	179.6	-47.9	168.7	5.3	0	0	108.3	A224 A255 T256 V278 W282 I300	A224-Q280 PolarHBondContact O-NE2 2.91Å; A255-Q280 WeakPolarHBondContact CA-O 3.5Å; T256-Q280 PolarHBondContact N-O 2.92Å; T256-Q280 PolarHBondContact O-N 3.23Å; T256-Q280 WeakPolarHBondContact OG1-CB 3.38Å; T256-Q280 PolarHBondContact OG1-OE1 3.3Å; V278-Q280 HydrophobicContact CG2-CG 4.46Å; Q280-W282 VanDerWaalsContact OE1-NE1 3.09Å; Q280-I300 HydrophobicContact CB-CD1 4.18Å
281	I	93.9	Very high	91.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	121.7	170.8	-47.6	-60	0	0	0	107.3	L254 A255 I279 H301 F302 W316 L352 I366	L254-I281 WeakPolarHBondContact O-CA 3.46Å; A255-I281 HydrophobicContact CB-CD1 3.66Å; I279-I281 HydrophobicContact CG2-CD1 4.12Å; I281-H301 HydrophobicContact CB-CB 4.47Å; I281-H301 HydrophobicContact CG2-CB 4.29Å; I281-H301 WeakPolarHBondContact O-CA 3.22Å; I281-H301 WeakPolarHBondContact O-CB 3.16Å; I281-H301 PolarHBondContact O-N 2.89Å; I281-F302 HydrophobicContact CB-CB 4.13Å; I281-F302 HydrophobicContact CG1-CB 4.04Å; I281-F302 PolarHBondContact N-O 3.33Å; I281-F302 PolarHBondContact O-N 3.12Å; I281-W316 HydrophobicContact CD1-CZ2 4.36Å; I281-L352 HydrophobicContact CD1-CD2 4.08Å; I281-I366 HydrophobicContact CD1-CD1 4.11Å; I281-I366 HydrophobicContact CD1-CG1 4.3Å; I281-I366 HydrophobicContact CG1-CD1 4.08Å; I281-I366 HydrophobicContact CG1-CG1 4.44Å; I281-I366 HydrophobicContact CG1-CG2 4.39Å; I281-I366 HydrophobicContact CG2-CG2 4.33Å
282	W	93.5	Very high	91.5	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	133.9	179.6	-65	86.1	0	0	0	110	L213 I222 F253 L254 Q280 P298 E299 I300	L213-W282 HydrophobicContact CB-CH2 4.05Å; L213-W282 HydrophobicContact CD2-CH2 4.37Å; L213-W282 HydrophobicContact CD2-CZ2 3.97Å; I222-W282 HydrophobicContact CD1-CD2 3.8Å; I222-W282 HydrophobicContact CD1-CE3 3.72Å; I222-W282 HydrophobicContact CD1-CG 4.36Å; I222-W282 HydrophobicContact CD1-CH2 4.26Å; I222-W282 HydrophobicContact CD1-CZ2 4.36Å; I222-W282 HydrophobicContact CD1-CZ3 3.95Å; I222-W282 HydrophobicContact CG2-CH2 3.41Å; I222-W282 VanDerWaalsContact CG2-CH2 3.41Å; I222-W282 HydrophobicContact CG2-CZ2 3.46Å; I222-W282 VanDerWaalsContact CG2-CZ2 3.46Å; I222-W282 HydrophobicContact CG2-CZ3 4.06Å; F253-W282 CarbonylContact C-O 3.54Å; F253-W282 VanDerWaalsContact CA-O 3.22Å; F253-W282 WeakPolarHBondContact CA-O 3.29Å; L254-W282 HydrophobicContact CB-CB 4.36Å; L254-W282 PolarHBondContact N-O 2.94Å; L254-W282 PolarHBondContact O-N 3.21Å; Q280-W282 VanDerWaalsContact OE1-NE1 3.09Å; W282-P298 HydrophobicContact CE3-CB 4.1Å; W282-E299 CarbonylContact C-O 3.51Å; W282-E299 WeakPolarHBondContact CA-O 3.23Å; W282-I300 HydrophobicContact CD2-CD1 3.82Å; W282-I300 HydrophobicContact CD2-CG1 4.45Å; W282-I300 VanDerWaalsContact CE2-CD1 3.48Å; W282-I300 HydrophobicContact CE3-CD1 4.02Å; W282-I300 HydrophobicContact CE3-CG1 4.14Å; W282-I300 HydrophobicContact CH2-CD1 3.66Å; W282-I300 HydrophobicContact CH2-CG1 3.73Å; W282-I300 HydrophobicContact CZ2-CD1 3.41Å; W282-I300 VanDerWaalsContact CZ2-CD1 3.41Å; W282-I300 HydrophobicContact CZ2-CG1 4.03Å; W282-I300 HydrophobicContact CZ3-CD1 3.96Å; W282-I300 HydrophobicContact CZ3-CG1 3.78Å
283	N	93.1	Very high	91.2	Very high	40 Å²	40	30.1 Å²	30.1	21%	0.214	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	106.9	164	174.8	10.8	0	0	0	107.4	C251 F253 G285 P298 E299 H301	C251-N283 WeakPolarHBondContact CB-OD1 3.25Å; F253-N283 HydrophobicContact CD1-CB 3.94Å; F253-N283 HydrophobicContact CE1-CB 3.63Å; F253-N283 HydrophobicContact CZ-CB 4.35Å; N283-G285 PolarHBondContact O-N 3.15Å; N283-G285 PolarHBondContact OD1-N 3.07Å; N283-P298 VanDerWaalsContact O-CA 3.3Å; N283-P298 WeakPolarHBondContact O-CA 3.25Å; N283-E299 PolarHBondContact N-O 3.44Å; N283-E299 PolarHBondContact O-N 3.11Å; N283-H301 HydrophobicContact CB-CB 4.23Å
284	C	94.4	Very high	91.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	5.3	-178.6	-57.6	0	0	0	0	113.3	W233 S252 L287 L296 F801	W233-C284 HydrophobicContact CH2-CB 4.32Å; W233-C284 HydrophobicContact CZ3-CB 4.16Å; S252-C284 WeakPolarHBondContact O-CB 3.36Å; S252-C284 PolarHBondContact O-N 3.03Å; C284-L287 HydrophobicContact CB-CD1 4.25Å; C284-L296 HydrophobicContact CB-CD1 4.2Å; C284-F801 HydrophobicContact CB-CE1 4.48Å; C284-F801 WeakPolarHBondContact SG-CE1 3.49Å
285	G	91.4	Very high	91.3	Very high	12 Å²	12	26.2 Å²	26.2	12%	0.124	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	73.8	-171.9	-175.3	0	0	0	0	0	113.1	C251 S252 N283 L287	C251-G285 CarbonylContact C-O 3.54Å; C251-G285 VanDerWaalsContact CA-O 3.27Å; C251-G285 WeakPolarHBondContact CA-O 3.28Å; S252-G285 PolarHBondContact N-O 3.4Å; N283-G285 PolarHBondContact O-N 3.15Å; N283-G285 PolarHBondContact OD1-N 3.07Å; G285-L287 PolarHBondContact O-N 3.3Å
286	V	92.1	Very high	91.5	Very high	35 Å²	35	25 Å²	25	21%	0.212	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	114.5	174.6	167.8	0	0	0	0	108.9	N249 N295	N249-V286 HydrophobicContact CB-CG1 3.62Å; V286-N295 PolarHBondContact O-N 2.99Å
287	L	93.6	Very high	91.6	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.156	C	C	.	.			trans	-101.9	133.1	174.9	-57.9	-177.9	0	0	0	109.2	W233 C284 G285 L296 S786 W789	W233-L287 HydrophobicContact CH2-CD1 4.06Å; C284-L287 HydrophobicContact CB-CD1 4.25Å; G285-L287 PolarHBondContact O-N 3.3Å; L287-L296 HydrophobicContact CD2-CB 3.86Å; L287-L296 HydrophobicContact CD2-CD1 3.72Å; L287-L296 HydrophobicContact CD2-CG 4.38Å; L287-S786 WeakPolarHBondContact O-CB 3.49Å; L287-W789 HydrophobicContact CB-CG 4.42Å; L287-W789 HydrophobicContact CD1-CB 4.33Å; L287-W789 HydrophobicContact CD1-CD2 4.17Å; L287-W789 HydrophobicContact CD1-CG 3.98Å; L287-W789 HydrophobicContact CD2-CZ2 4.35Å
288	G	91.5	Very high	91.7	Very high	2 Å²	2	27 Å²	27	2%	0.021	16%	0.155	C	C	.	.			trans	-98.2	-169.7	169.9	0	0	0	0	0	111.4	T290 S293 S294 T785 W789	G288-T290 VanDerWaalsContact C-N 3.3Å; G288-S293 WeakPolarHBondContact CA-OG 3.34Å; G288-S294 PolarHBondContact N-OG 2.72Å; G288-T785 CarbonylContact C-O 3.47Å; G288-T785 VanDerWaalsContact C-O 3.23Å; G288-T785 WeakPolarHBondContact CA-O 3.48Å; G288-W789 PolarHBondContact O-NE1 3.33Å
289	L	92	Very high	91.7	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	18%	0.179	C	C	.	.	S	Bend	trans	-82.4	-8.8	178.5	-65.1	175	0	0	0	113.7	S293 P784 T785 T788 Y808 F812 L816	L289-S293 PolarHBondContact N-OG 3.05Å; L289-P784 WeakPolarHBondContact CD2-O 3.46Å; L289-T785 PolarHBondContact N-O 2.8Å; L289-T788 VanDerWaalsContact C-OG1 3.27Å; L289-T788 WeakPolarHBondContact CA-OG1 3.22Å; L289-T788 HydrophobicContact CD2-CG2 4.49Å; L289-T788 PolarHBondContact O-OG1 2.87Å; L289-Y808 HydrophobicContact CB-CD2 3.77Å; L289-Y808 HydrophobicContact CB-CE2 4.03Å; L289-Y808 HydrophobicContact CD1-CD2 4.44Å; L289-Y808 HydrophobicContact CD1-CE2 4.34Å; L289-F812 HydrophobicContact CD1-CB 3.5Å; L289-F812 VanDerWaalsContact CD1-CB 3.5Å; L289-F812 HydrophobicContact CD1-CD2 4.36Å; L289-F812 HydrophobicContact CD1-CG 4.46Å; L289-L816 HydrophobicContact CD1-CD1 3.96Å; L289-L816 HydrophobicContact CG-CD1 4.49Å
290	T	92.2	Very high	91.4	Very high	4 Å²	4	33.2 Å²	33.2	3%	0.025	19%	0.185	C	C	.	.	S	Bend	trans	-133.2	157.5	-179.6	51.7	0	0	0	0	110	G288 V292 S293 S294 E805 Y808 T821	G288-T290 VanDerWaalsContact C-N 3.3Å; T290-V292 VanDerWaalsContact C-N 3.26Å; T290-V292 PolarHBondContact O-N 2.71Å; T290-S293 PolarHBondContact N-OG 2.96Å; T290-S293 PolarHBondContact O-N 2.66Å; T290-S293 PolarHBondContact O-OG 2.91Å; T290-S293 VanDerWaalsContact O-OG 3.1Å; T290-S293 WeakPolarHBondContact OG1-CB 3.15Å; T290-S293 PolarHBondContact OG1-N 3.42Å; T290-S293 PolarHBondContact OG1-OG 3.38Å; T290-S294 WeakPolarHBondContact O-CB 3.48Å; T290-S294 PolarHBondContact O-N 2.88Å; T290-S294 PolarHBondContact O-OG 2.59Å; T290-E805 WeakPolarHBondContact CA-OE1 3.17Å; T290-E805 VanDerWaalsContact CB-OE1 3.3Å; T290-E805 WeakPolarHBondContact CB-OE1 3.4Å; T290-Y808 HydrophobicContact CG2-CD1 4.43Å; T290-Y808 HydrophobicContact CG2-CD2 3.83Å; T290-Y808 HydrophobicContact CG2-CE2 4.01Å; T290-Y808 HydrophobicContact CG2-CG 4.04Å; T290-T821 WeakPolarHBondContact OG1-CB 3.47Å; T290-T821 PolarHBondContact OG1-OG1 2.91Å
291	E	89.4	Confident	91	Very high	68 Å²	68	33.9 Å²	33.9	32%	0.318	19%	0.188	S	C	.	.	S	Bend	trans	-59.4	-41.7	175.9	-66.2	177.5	-177.2	0	0	110.3	S293 S294 K756 W789 C803 E805	E291-S293 VanDerWaalsContact C-N 3.27Å; E291-S293 PolarHBondContact O-N 2.79Å; E291-S294 PolarHBondContact O-N 2.68Å; E291-S294 VanDerWaalsContact O-N 3.11Å; E291-K756 VanDerWaalsContact CD-NZ 3.3Å; E291-K756 IonicContact OE1-NZ 3.44Å; E291-K756 PolarHBondContact OE1-NZ 3.12Å; E291-K756 IonicContact OE2-NZ 2.59Å; E291-K756 PolarHBondContact OE2-NZ 3.08Å; E291-W789 HydrophobicContact CG-CH2 4.36Å; E291-W789 HydrophobicContact CG-CZ2 4.43Å; E291-C803 HydrophobicContact CG-CB 3.4Å; E291-C803 VanDerWaalsContact CG-CB 3.4Å; E291-E805 PolarHBondContact N-OE1 3.25Å
292	V	87.8	Confident	90.6	Very high	133 Å²	133	33.9 Å²	33.9	81%	0.806	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-30.2	179	-175.7	0	0	0	0	113.2	T290	T290-V292 VanDerWaalsContact C-N 3.26Å; T290-V292 PolarHBondContact O-N 2.71Å
293	S	86.7	Confident	90.4	Very high	32 Å²	32	34 Å²	34	22%	0.224	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	8.3	178.6	61.1	0	0	0	0	114.2	G288 L289 T290 E291	G288-S293 WeakPolarHBondContact CA-OG 3.34Å; L289-S293 PolarHBondContact N-OG 3.05Å; T290-S293 PolarHBondContact N-OG 2.96Å; T290-S293 PolarHBondContact O-N 2.66Å; T290-S293 PolarHBondContact O-OG 2.91Å; T290-S293 VanDerWaalsContact O-OG 3.1Å; T290-S293 WeakPolarHBondContact OG1-CB 3.15Å; T290-S293 PolarHBondContact OG1-N 3.42Å; T290-S293 PolarHBondContact OG1-OG 3.38Å; E291-S293 VanDerWaalsContact C-N 3.27Å; E291-S293 PolarHBondContact O-N 2.79Å
294	S	90.7	Very high	90.2	Very high	17 Å²	17	32 Å²	32	12%	0.119	18%	0.178	C	C	.	.			trans	-116.2	131.7	-172.2	-60.7	0	0	0	0	112.6	G288 T290 E291 L296 W789	G288-S294 PolarHBondContact N-OG 2.72Å; T290-S294 WeakPolarHBondContact O-CB 3.48Å; T290-S294 PolarHBondContact O-N 2.88Å; T290-S294 PolarHBondContact O-OG 2.59Å; E291-S294 PolarHBondContact O-N 2.68Å; E291-S294 VanDerWaalsContact O-N 3.11Å; S294-L296 PolarHBondContact O-N 2.9Å; S294-W789 WeakPolarHBondContact OG-CZ2 3.25Å; S294-W789 PolarHBondContact OG-NE1 3.39Å
295	N	90	Very high	90	Very high	124 Å²	124	32.4 Å²	32.4	66%	0.663	18%	0.181	S	C	*	.			trans	-97.8	60.8	171.6	-68.9	-32.4	0	0	0	109.7	V286 N297	V286-N295 PolarHBondContact O-N 2.99Å; N295-N297 PolarHBondContact O-N 3.02Å
296	L	92.6	Very high	89.9	Confident	12 Å²	12	32.1 Å²	32.1	6%	0.063	18%	0.176	C	C	.	.			trans	-69.1	99	178.7	-177.8	72.1	0	0	0	110.2	Y215 N220 C284 L287 S294 P298 W789 F801	Y215-L296 WeakPolarHBondContact OH-CD2 3.37Å; Y215-L296 WeakPolarHBondContact OH-CG 3.37Å; Y215-L296 PolarHBondContact OH-O 3.28Å; N220-L296 HydrophobicContact CB-CD2 3.96Å; N220-L296 WeakPolarHBondContact OD1-CD2 3.42Å; C284-L296 HydrophobicContact CB-CD1 4.2Å; L287-L296 HydrophobicContact CD2-CB 3.86Å; L287-L296 HydrophobicContact CD2-CD1 3.72Å; L287-L296 HydrophobicContact CD2-CG 4.38Å; S294-L296 PolarHBondContact O-N 2.9Å; L296-P298 HydrophobicContact CD1-CG 3.75Å; L296-P298 HydrophobicContact CG-CG 4.15Å; L296-W789 HydrophobicContact CB-CH2 4.33Å; L296-W789 HydrophobicContact CD2-CH2 3.85Å; L296-W789 HydrophobicContact CD2-CZ3 3.72Å; L296-F801 HydrophobicContact CD1-CB 4.4Å; L296-F801 HydrophobicContact CD1-CD1 4.24Å; L296-F801 HydrophobicContact CD1-CG 4.12Å; L296-F801 HydrophobicContact CD2-CB 3.85Å; L296-F801 HydrophobicContact CD2-CG 4.29Å
297	N	90.9	Very high	89.9	Confident	74 Å²	74	34.8 Å²	34.8	40%	0.396	19%	0.189	S	C	.	.			trans	-136	83.5	169.1	-163.8	57.8	0	0	0	109	N295 E299	N295-N297 PolarHBondContact O-N 3.02Å; N297-E299 PolarHBondContact ND2-OE1 3.25Å; N297-E299 PolarHBondContact O-N 2.96Å
298	P	92.7	Very high	89.8	Confident	6 Å²	6	35.9 Å²	35.9	4%	0.039	19%	0.193	C	C	.	.			trans	-65.9	114.8	-177.2	-23.2	36.6	0	0	0	112.5	Y215 I222 W282 N283 L296 F801	Y215-P298 HydrophobicContact CD2-CG 4Å; Y215-P298 VanDerWaalsContact CE2-CD 3.48Å; Y215-P298 HydrophobicContact CE2-CG 3.86Å; Y215-P298 HydrophobicContact CG-CG 4.42Å; I222-P298 HydrophobicContact CD1-CB 3.46Å; I222-P298 VanDerWaalsContact CD1-CB 3.46Å; I222-P298 HydrophobicContact CD1-CG 4.06Å; I222-P298 HydrophobicContact CG1-CB 4.13Å; I222-P298 HydrophobicContact CG1-CG 4.43Å; W282-P298 HydrophobicContact CE3-CB 4.1Å; N283-P298 VanDerWaalsContact O-CA 3.3Å; N283-P298 WeakPolarHBondContact O-CA 3.25Å; L296-P298 HydrophobicContact CD1-CG 3.75Å; L296-P298 HydrophobicContact CG-CG 4.15Å; P298-F801 HydrophobicContact CB-CE2 4.49Å; P298-F801 HydrophobicContact CG-CD2 4.36Å; P298-F801 HydrophobicContact CG-CE2 3.95Å; P298-F801 HydrophobicContact CG-CZ 4.25Å
299	E	89.9	Confident	89.8	Confident	111 Å²	111	35.8 Å²	35.8	52%	0.519	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	147.7	177.3	-71.6	173.8	-157.1	0	0	110.7	W282 N283 N297 H301	W282-E299 CarbonylContact C-O 3.51Å; W282-E299 WeakPolarHBondContact CA-O 3.23Å; N283-E299 PolarHBondContact N-O 3.44Å; N283-E299 PolarHBondContact O-N 3.11Å; N297-E299 PolarHBondContact ND2-OE1 3.25Å; N297-E299 PolarHBondContact O-N 2.96Å; E299-H301 PolarHBondContact O-N 2.8Å
300	I	87.8	Confident	89.8	Confident	21 Å²	21	37.8 Å²	37.8	11%	0.108	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	115.6	173	-75.2	-70.4	0	0	0	109.3	L213 Q280 W282 I303	L213-I300 HydrophobicContact CD1-CG1 4.34Å; L213-I300 HydrophobicContact CD2-CD1 4.36Å; Q280-I300 HydrophobicContact CB-CD1 4.18Å; W282-I300 HydrophobicContact CD2-CD1 3.82Å; W282-I300 HydrophobicContact CD2-CG1 4.45Å; W282-I300 VanDerWaalsContact CE2-CD1 3.48Å; W282-I300 HydrophobicContact CE3-CD1 4.02Å; W282-I300 HydrophobicContact CE3-CG1 4.14Å; W282-I300 HydrophobicContact CH2-CD1 3.66Å; W282-I300 HydrophobicContact CH2-CG1 3.73Å; W282-I300 HydrophobicContact CZ2-CD1 3.41Å; W282-I300 VanDerWaalsContact CZ2-CD1 3.41Å; W282-I300 HydrophobicContact CZ2-CG1 4.03Å; W282-I300 HydrophobicContact CZ3-CD1 3.96Å; W282-I300 HydrophobicContact CZ3-CG1 3.78Å; I300-I303 HydrophobicContact CD1-CD1 4.37Å; I300-I303 HydrophobicContact CD1-CG1 4.13Å; I300-I303 HydrophobicContact CG2-CD1 3.96Å; I300-I303 HydrophobicContact CG2-CG1 3.68Å
301	H	85.8	Confident	89.9	Confident	17 Å²	17	37.9 Å²	37.9	8%	0.079	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-46.4	173.9	-174.8	53.6	0	0	0	111.1	F253 I281 N283 E299 P367 T368	F253-H301 HydrophobicContact CD1-CB 4.43Å; F253-H301 AromaticContact CD1-CD2 3.95Å; F253-H301 HydrophobicContact CE1-CB 4.34Å; F253-H301 AromaticContact CE1-CD2 3.71Å; F253-H301 AromaticContact CE1-CG 3.79Å; F253-H301 AromaticContact CE1-NE2 3.95Å; I281-H301 HydrophobicContact CB-CB 4.47Å; I281-H301 HydrophobicContact CG2-CB 4.29Å; I281-H301 WeakPolarHBondContact O-CA 3.22Å; I281-H301 WeakPolarHBondContact O-CB 3.16Å; I281-H301 PolarHBondContact O-N 2.89Å; N283-H301 HydrophobicContact CB-CB 4.23Å; E299-H301 PolarHBondContact O-N 2.8Å; H301-P367 PolarHBondContact NE2-O 3.12Å; H301-T368 PolarHBondContact CE1-O 2.89Å
302	F	85.2	Confident	90.1	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	145.8	173.8	-85.2	-97.3	0	0	0	110.8	I281 I366 P367 Y385	I281-F302 HydrophobicContact CB-CB 4.13Å; I281-F302 HydrophobicContact CG1-CB 4.04Å; I281-F302 PolarHBondContact N-O 3.33Å; I281-F302 PolarHBondContact O-N 3.12Å; F302-I366 HydrophobicContact CD2-CG2 4.41Å; F302-P367 HydrophobicContact CE1-CG 4.11Å; F302-P367 HydrophobicContact CE2-CB 3.94Å; F302-P367 HydrophobicContact CE2-CG 4.05Å; F302-P367 HydrophobicContact CZ-CB 3.72Å; F302-P367 HydrophobicContact CZ-CG 3.51Å; F302-Y385 AromaticContact CD1-CD2 3.45Å; F302-Y385 HydrophobicContact CD1-CD2 3.45Å; F302-Y385 VanDerWaalsContact CD1-CD2 3.45Å; F302-Y385 AromaticContact CD1-CE2 3.61Å; F302-Y385 HydrophobicContact CD1-CE2 3.61Å; F302-Y385 AromaticContact CD1-CG 3.99Å; F302-Y385 HydrophobicContact CD1-CG 3.99Å; F302-Y385 HydrophobicContact CE1-CD1 4.26Å; F302-Y385 AromaticContact CE1-CD2 3.88Å; F302-Y385 HydrophobicContact CE1-CD2 3.88Å; F302-Y385 HydrophobicContact CE1-CE1 4.19Å; F302-Y385 AromaticContact CE1-CE2 3.82Å; F302-Y385 HydrophobicContact CE1-CE2 3.82Å; F302-Y385 HydrophobicContact CE1-CG 4.1Å; F302-Y385 AromaticContact CE1-CZ 3.97Å; F302-Y385 HydrophobicContact CG-CD2 4.47Å; F302-Y385 HydrophobicContact CG-CE2 4.46Å
303	I	88	Confident	90.5	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.015	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.5	160	-57.9	172.3	0	0	0	107.5	I186 L213 V278 I300 A384 Y385	I186-I303 HydrophobicContact CD1-CB 4.46Å; I186-I303 HydrophobicContact CD1-CD1 3.62Å; I186-I303 HydrophobicContact CD1-CG2 4.05Å; L213-I303 HydrophobicContact CD1-CD1 3.69Å; V278-I303 HydrophobicContact CB-CG2 4.09Å; V278-I303 HydrophobicContact CG1-CG2 3.91Å; I300-I303 HydrophobicContact CD1-CD1 4.37Å; I300-I303 HydrophobicContact CD1-CG1 4.13Å; I300-I303 HydrophobicContact CG2-CD1 3.96Å; I300-I303 HydrophobicContact CG2-CG1 3.68Å; I303-A384 HydrophobicContact CB-CB 4.45Å; I303-A384 HydrophobicContact CG2-CB 4.24Å; I303-A384 CarbonylContact O-C 3.57Å; I303-A384 WeakPolarHBondContact O-CA 3.06Å; I303-Y385 PolarHBondContact O-N 3.05Å
304	I	89.4	Confident	91	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	114.4	-179.3	-49.2	168.9	0	0	0	107.6	W179 V278 I279 F364 I366 Y385 L387	W179-I304 HydrophobicContact CH2-CD1 3.68Å; W179-I304 HydrophobicContact CH2-CG1 3.88Å; W179-I304 HydrophobicContact CH2-CG2 4.47Å; W179-I304 HydrophobicContact CZ3-CB 4.48Å; W179-I304 HydrophobicContact CZ3-CD1 4.14Å; W179-I304 HydrophobicContact CZ3-CG1 3.82Å; W179-I304 HydrophobicContact CZ3-CG2 4.05Å; V278-I304 VanDerWaalsContact CA-O 3.26Å; V278-I304 WeakPolarHBondContact CA-O 3.06Å; I279-I304 HydrophobicContact CB-CB 4.22Å; I279-I304 HydrophobicContact CB-CD1 4.25Å; I279-I304 HydrophobicContact CG2-CD1 4.25Å; I279-I304 PolarHBondContact N-O 3.06Å; I279-I304 PolarHBondContact O-N 2.7Å; I304-F364 HydrophobicContact CD1-CE2 3.57Å; I304-F364 HydrophobicContact CD1-CZ 4.1Å; I304-I366 HydrophobicContact CD1-CD1 3.79Å; I304-Y385 CarbonylContact C-O 3.5Å; I304-Y385 WeakPolarHBondContact CA-O 3.35Å; I304-L387 HydrophobicContact CG2-CD1 4.17Å
305	S	89.4	Confident	91.3	Very high	8 Å²	8	29.7 Å²	29.7	6%	0.056	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	136.3	172.2	51.5	0	0	0	0	110.7	Y385 T386	S305-Y385 PolarHBondContact N-O 3.28Å; S305-Y385 PolarHBondContact OG-O 3.47Å; S305-T386 PolarHBondContact OG-OG1 3.03Å
306	H	90.8	Very high	91.6	Very high	6 Å²	6	24.1 Å²	24.1	3%	0.028	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	155.2	179.5	64.4	69.9	0	0	0	113.3	P276 G277 W308 G309	P276-H306 CarbonylContact C-O 3.54Å; P276-H306 VanDerWaalsContact CA-O 3.31Å; P276-H306 WeakPolarHBondContact CA-O 3.47Å; G277-H306 PolarHBondContact N-O 2.87Å; G277-H306 PolarHBondContact O-N 3.46Å; G277-H306 VanDerWaalsContact O-N 3.08Å; H306-W308 HydrophobicContact CB-CB 4.48Å; H306-W308 HydrophobicContact CB-CD2 3.49Å; H306-W308 VanDerWaalsContact CB-CD2 3.49Å; H306-W308 HydrophobicContact CB-CE3 3.69Å; H306-W308 HydrophobicContact CB-CG 3.86Å; H306-W308 HydrophobicContact CB-CH2 4.41Å; H306-W308 HydrophobicContact CB-CZ2 4.23Å; H306-W308 HydrophobicContact CB-CZ3 4.14Å; H306-W308 AromaticContact CG-CD2 3.93Å; H306-W308 AromaticContact CG-CE3 3.75Å; H306-G309 PolarHBondContact CE1-O 3.03Å
307	D	91.4	Very high	91.8	Very high	91 Å²	91	23.6 Å²	23.6	49%	0.487	12%	0.119	S	C	.	.			trans	-105.1	17.1	173.2	-63.6	-57	0	0	0	112.9	H190 N274 C275 G309	H190-D307 IonicContact CE1-OD1 3.19Å; H190-D307 IonicContact NE2-OD1 2.66Å; N274-D307 WeakPolarHBondContact CA-O 3.33Å; N274-D307 WeakPolarHBondContact CB-O 3.42Å; C275-D307 PolarHBondContact N-O 2.95Å; C275-D307 CarbonylContact O-C 3.59Å; C275-D307 VanDerWaalsContact O-C 3.24Å; C275-D307 WeakPolarHBondContact O-CA 3.3Å; D307-G309 PolarHBondContact O-N 3.08Å
308	W	92.7	Very high	91.9	Very high	23 Å²	23	21.9 Å²	21.9	9%	0.087	11%	0.112	C	C	.	.	S	Bend	trans	-73.9	9.4	-170.7	-52.4	-27.4	0	0	0	115.6	I279 H306 I311 C356 D358 R362 F364 L387 Y392	I279-W308 HydrophobicContact CD1-CZ3 4.19Å; H306-W308 HydrophobicContact CB-CB 4.48Å; H306-W308 HydrophobicContact CB-CD2 3.49Å; H306-W308 VanDerWaalsContact CB-CD2 3.49Å; H306-W308 HydrophobicContact CB-CE3 3.69Å; H306-W308 HydrophobicContact CB-CG 3.86Å; H306-W308 HydrophobicContact CB-CH2 4.41Å; H306-W308 HydrophobicContact CB-CZ2 4.23Å; H306-W308 HydrophobicContact CB-CZ3 4.14Å; H306-W308 AromaticContact CG-CD2 3.93Å; H306-W308 AromaticContact CG-CE3 3.75Å; W308-I311 HydrophobicContact CE3-CD1 4.5Å; W308-C356 HydrophobicContact CB-CB 4Å; W308-C356 WeakPolarHBondContact O-CB 3.47Å; W308-D358 WeakPolarHBondContact CA-OD2 3.09Å; W308-D358 WeakPolarHBondContact O-CB 3.35Å; W308-D358 VanDerWaalsContact O-CG 3.25Å; W308-D358 PolarHBondContact O-N 3.3Å; W308-R362 VanDerWaalsContact CD1-CZ 3.49Å; W308-R362 VanDerWaalsContact CD2-CD 3.49Å; W308-R362 VanDerWaalsContact CE2-CD 3.4Å; W308-F364 HydrophobicContact CH2-CD1 4.28Å; W308-F364 AromaticContact CH2-CE1 3.77Å; W308-F364 HydrophobicContact CH2-CE1 3.77Å; W308-F364 HydrophobicContact CH2-CZ 4.39Å; W308-F364 AromaticContact CZ3-CE1 3.75Å; W308-F364 HydrophobicContact CZ3-CE1 3.75Å; W308-F364 HydrophobicContact CZ3-CZ 4.26Å; W308-L387 HydrophobicContact CH2-CD1 3.88Å; W308-L387 HydrophobicContact CZ2-CD1 4.45Å; W308-Y392 HydrophobicContact CZ2-CD1 4.36Å; W308-Y392 HydrophobicContact CZ2-CE1 4.14Å
309	G	91.2	Very high	91.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.112	C	C	.	.			trans	80.3	-169.7	-167.4	0	0	0	0	0	111.6	K273 C275 H306 D307	K273-G309 VanDerWaalsContact O-CA 3.23Å; K273-G309 WeakPolarHBondContact O-CA 3.05Å; C275-G309 WeakPolarHBondContact O-CA 3.15Å; C275-G309 PolarHBondContact O-N 2.88Å; C275-G309 VanDerWaalsContact SG-C 3.58Å; C275-G309 VanDerWaalsContact SG-CA 3.52Å; H306-G309 PolarHBondContact CE1-O 3.03Å; D307-G309 PolarHBondContact O-N 3.08Å
310	R	91.8	Very high	91.6	Very high	43 Å²	43	16.7 Å²	16.7	16%	0.162	9%	0.088	C	C	.	.			trans	-67.5	143.8	174.4	-64.7	177.9	179.8	152.8	-0.5	110.7	V259 S264 Q265 T266 T312 Q357	V259-R310 HydrophobicContact CG1-CG 4.33Å; S264-R310 VanDerWaalsContact O-CZ 3.3Å; S264-R310 PolarHBondContact O-NH1 3.4Å; S264-R310 PolarHBondContact O-NH2 3.41Å; S264-R310 PolarHBondContact OG-NH2 2.69Å; Q265-R310 PolarHBondContact O-NH1 2.98Å; T266-R310 VanDerWaalsContact CA-NH1 3.27Å; T266-R310 WeakPolarHBondContact OG1-CD 3.37Å; T266-R310 PolarHBondContact OG1-NH1 3.28Å; R310-T312 PolarHBondContact O-N 2.83Å; R310-Q357 HydrophobicContact CB-CB 4.34Å; R310-Q357 PolarHBondContact O-N 3.19Å
311	I	94.8	Very high	91.5	Very high	5 Å²	5	15.7 Å²	15.7	3%	0.026	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	119	167.9	-52.4	-42	0	0	0	108	T229 C230 S257 I279 W308 M314 V354 A355	T229-I311 PolarHBondContact OG1-O 3.44Å; C230-I311 HydrophobicContact CB-CG2 4.43Å; S257-I311 WeakPolarHBondContact OG-CG1 3.44Å; I279-I311 HydrophobicContact CD1-CD1 4.45Å; I279-I311 HydrophobicContact CD1-CG1 4.3Å; I279-I311 HydrophobicContact CG1-CG1 4.1Å; W308-I311 HydrophobicContact CE3-CD1 4.5Å; I311-M314 HydrophobicContact CG2-CB 4.22Å; I311-V354 HydrophobicContact CB-CG1 4.38Å; I311-V354 HydrophobicContact CD1-CG1 3.46Å; I311-V354 VanDerWaalsContact CD1-CG1 3.46Å; I311-V354 HydrophobicContact CG1-CG1 3.97Å; I311-V354 HydrophobicContact CG2-CG1 3.6Å; I311-A355 WeakPolarHBondContact CA-O 3.34Å
312	T	93.6	Very high	91.3	Very high	32 Å²	32	16 Å²	16	20%	0.196	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	-34.9	-172.4	54.3	0	0	0	0	112	R310 A355 Q357 W408 P409	R310-T312 PolarHBondContact O-N 2.83Å; T312-A355 PolarHBondContact N-O 2.83Å; T312-A355 WeakPolarHBondContact OG1-CB 3.48Å; T312-A355 PolarHBondContact OG1-O 2.89Å; T312-A355 VanDerWaalsContact OG1-O 3.11Å; T312-Q357 HydrophobicContact CG2-CB 4.39Å; T312-W408 HydrophobicContact CG2-CE3 3.75Å; T312-W408 HydrophobicContact CG2-CZ3 3.65Å; T312-P409 WeakPolarHBondContact CB-O 3.21Å; T312-P409 PolarHBondContact OG1-O 3.19Å
313	D	95.6	Very high	91.2	Very high	19 Å²	19	16 Å²	16	10%	0.102	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	158.5	170.1	-168.7	33.6	0	0	0	110.2	A355 T412	D313-A355 HydrophobicContact CB-CB 4.28Å; D313-A355 PolarHBondContact O-N 3.21Å; D313-T412 PolarHBondContact OD2-N 2.87Å; D313-T412 PolarHBondContact OD2-OG1 2.91Å
314	M	97	Very high	90.5	Very high	5 Å²	5	15.9 Å²	15.9	3%	0.025	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	132.1	-176.6	-172.9	174.1	63.2	0	0	111.2	C230 A255 I279 I311 L352 I353 V354	C230-M314 HydrophobicContact CB-CB 3.81Å; C230-M314 HydrophobicContact CB-CE 3.94Å; A255-M314 HydrophobicContact CB-CE 3.69Å; A255-M314 HydrophobicContact CB-SD 4.18Å; A255-M314 WeakPolarHBondContact O-CE 3.46Å; I279-M314 HydrophobicContact CG2-SD 3.94Å; I311-M314 HydrophobicContact CG2-CB 4.22Å; M314-L352 HydrophobicContact CG-CD1 3.74Å; M314-L352 HydrophobicContact CG-CD2 4.39Å; M314-L352 HydrophobicContact CG-CG 4.1Å; M314-L352 HydrophobicContact SD-CD1 4.07Å; M314-L352 HydrophobicContact SD-CD2 3.84Å; M314-L352 HydrophobicContact SD-CG 4.21Å; M314-I353 WeakPolarHBondContact CA-O 3.27Å; M314-I353 WeakPolarHBondContact CG-O 3.41Å; M314-V354 HydrophobicContact CG-CG2 4.31Å; M314-V354 HydrophobicContact SD-CG2 4.49Å
315	C	96.6	Very high	89.8	Confident	22 Å²	22	17.3 Å²	17.3	15%	0.149	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	149.3	173.7	61.8	0	0	0	0	111.2	I353	C315-I353 PolarHBondContact N-O 3.35Å; C315-I353 WeakPolarHBondContact O-CA 3.34Å; C315-I353 VanDerWaalsContact O-CB 3.27Å; C315-I353 WeakPolarHBondContact O-CB 3.35Å; C315-I353 PolarHBondContact O-N 3.44Å
316	W	96.8	Very high	88.8	Confident	7 Å²	7	20.9 Å²	20.9	3%	0.027	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	153.3	166.2	-63.4	82.8	0	0	0	110.7	S232 C234 A255 I281 P318 L349 H351 L352 I366	S232-W316 PolarHBondContact O-NE1 2.86Å; S232-W316 PolarHBondContact OG-N 2.79Å; C234-W316 HydrophobicContact CB-CD2 4.12Å; C234-W316 HydrophobicContact CB-CE3 4.46Å; C234-W316 HydrophobicContact CB-CH2 4.22Å; C234-W316 HydrophobicContact CB-CZ2 3.87Å; A255-W316 HydrophobicContact CB-CZ2 3.92Å; I281-W316 HydrophobicContact CD1-CZ2 4.36Å; W316-P318 WeakPolarHBondContact O-CD 3.22Å; W316-L349 HydrophobicContact CH2-CD2 3.96Å; W316-H351 CarbonylContact C-O 3.55Å; W316-H351 WeakPolarHBondContact CA-O 3.41Å; W316-L352 HydrophobicContact CD2-CD1 3.81Å; W316-L352 HydrophobicContact CE3-CB 4.37Å; W316-L352 HydrophobicContact CE3-CD1 4.42Å; W316-L352 HydrophobicContact CG-CD1 3.93Å; W316-L352 HydrophobicContact CZ2-CD1 4.41Å; W316-I366 HydrophobicContact CH2-CB 3.83Å; W316-I366 HydrophobicContact CH2-CG1 3.5Å; W316-I366 HydrophobicContact CH2-CG2 4.24Å; W316-I366 HydrophobicContact CZ2-CG1 4.48Å; W316-I366 HydrophobicContact CZ3-CB 3.97Å; W316-I366 HydrophobicContact CZ3-CG1 3.71Å
317	I	95.8	Very high	87.7	Confident	1 Å²	1	24 Å²	24	1%	0.005	12%	0.121	C	C	.	.			trans	-61.3	123.3	160.5	-69.6	-173.6	0	0	0	107.2	P153 F154 P235 V319 H351 I353 I363 I414 L436	P153-I317 HydrophobicContact CG-CD1 4.3Å; F154-I317 HydrophobicContact CD2-CD1 4.23Å; F154-I317 HydrophobicContact CE2-CD1 3.25Å; F154-I317 HydrophobicContact CZ-CD1 3.58Å; P235-I317 WeakPolarHBondContact CG-O 3.39Å; I317-V319 HydrophobicContact CG2-CG2 3.61Å; I317-V319 PolarHBondContact O-N 2.79Å; I317-H351 HydrophobicContact CB-CB 4.22Å; I317-H351 HydrophobicContact CD1-CB 3.79Å; I317-H351 HydrophobicContact CG1-CB 4.06Å; I317-H351 PolarHBondContact N-O 3.36Å; I317-I353 HydrophobicContact CG1-CD1 3.85Å; I317-I353 HydrophobicContact CG1-CG1 3.92Å; I317-I363 HydrophobicContact CD1-CG2 4.24Å; I317-I414 HydrophobicContact CG1-CD1 4.38Å; I317-L436 HydrophobicContact CD1-CD1 3.9Å; I317-L436 HydrophobicContact CG1-CD1 4.44Å
318	P	93.1	Very high	86.3	Confident	38 Å²	38	21 Å²	21	25%	0.247	11%	0.105	C	C	.	.	S	Bend	trans	-85.2	35.1	-166.6	35.8	-39	0	0	0	113.2	W316 I414 R415 R416	W316-P318 WeakPolarHBondContact O-CD 3.22Å; P318-I414 HydrophobicContact CG-CG1 4.24Å; P318-I414 HydrophobicContact CG-CG2 4.26Å; P318-R415 VanDerWaalsContact CG-C 3.42Å; P318-R416 HydrophobicContact CB-CB 4.05Å; P318-R416 HydrophobicContact CG-CB 4.14Å; P318-R416 VanDerWaalsContact CG-N 3.34Å; P318-R416 WeakPolarHBondContact O-CB 3.39Å
319	V	90.5	Very high	85.1	Confident	6 Å²	6	22.6 Å²	22.6	4%	0.036	12%	0.117	C	C	.	.	S	Bend	trans	-135.3	153.5	172.6	-68.1	0	0	0	0	109.8	T150 I317 R416 P419	T150-V319 HydrophobicContact CG2-CG1 4.08Å; I317-V319 HydrophobicContact CG2-CG2 3.61Å; I317-V319 PolarHBondContact O-N 2.79Å; V319-R416 HydrophobicContact CG1-CB 4.44Å; V319-P419 HydrophobicContact CG1-CB 3.86Å; V319-P419 HydrophobicContact CG1-CG 4.25Å; V319-P419 HydrophobicContact CG2-CB 3.82Å
320	S	87.5	Confident	83.9	Confident	2 Å²	2	27.1 Å²	27.1	1%	0.014	14%	0.144	C	C	.	.			trans	-67.6	151.2	179.4	178.2	0	0	0	0	111	F147 N152 F322 S323	F147-S320 WeakPolarHBondContact CE1-OG 3.47Å; F147-S320 VanDerWaalsContact CZ-CB 3.46Å; N152-S320 PolarHBondContact ND2-O 3.32Å; S320-F322 PolarHBondContact O-N 3.06Å; S320-F322 VanDerWaalsContact O-N 3.13Å; S320-F322 WeakPolarHBondContact OG-CD2 3.1Å; S320-F322 PolarHBondContact OG-N 3.25Å; S320-S323 WeakPolarHBondContact CB-OG 3.16Å; S320-S323 PolarHBondContact N-OG 3.08Å; S320-S323 VanDerWaalsContact N-OG 3.12Å; S320-S323 PolarHBondContact O-N 2.67Å; S320-S323 VanDerWaalsContact O-N 3.13Å; S320-S323 PolarHBondContact O-OG 3.01Å
321	P	85.8	Confident	82.5	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-26.2	163.6	-28.2	37.9	0	0	0	113.2	L155 V345 V348 L349	L155-P321 WeakPolarHBondContact CD1-O 3.3Å; P321-V345 HydrophobicContact CB-CG1 3.79Å; P321-V345 WeakPolarHBondContact O-CG1 3.37Å; P321-V348 HydrophobicContact CB-CB 4.37Å; P321-V348 HydrophobicContact CB-CG1 4.29Å; P321-V348 HydrophobicContact CG-CB 4.36Å; P321-V348 HydrophobicContact CG-CG1 3.9Å; P321-V348 WeakPolarHBondContact CG-O 3.48Å; P321-L349 WeakPolarHBondContact CG-O 3.4Å
322	F	80.6	Confident	80.7	Confident	23 Å²	23	30.6 Å²	30.6	10%	0.101	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-6.3	-179.7	-55.5	-67.5	0	0	0	114.8	R237 S320 G324 I325 V345 D346	R237-F322 HydrophobicContact CB-CE2 4.42Å; S320-F322 PolarHBondContact O-N 3.06Å; S320-F322 VanDerWaalsContact O-N 3.13Å; S320-F322 WeakPolarHBondContact OG-CD2 3.1Å; S320-F322 PolarHBondContact OG-N 3.25Å; F322-G324 PolarHBondContact O-N 2.88Å; F322-I325 HydrophobicContact CB-CG2 4.33Å; F322-I325 HydrophobicContact CD1-CD1 4.33Å; F322-I325 VanDerWaalsContact O-CB 3.25Å; F322-I325 WeakPolarHBondContact O-CB 3.36Å; F322-I325 WeakPolarHBondContact O-CG2 3.16Å; F322-I325 PolarHBondContact O-N 2.97Å; F322-V345 HydrophobicContact CD1-CB 4.44Å; F322-V345 HydrophobicContact CD1-CG1 3.6Å; F322-V345 HydrophobicContact CE1-CB 4.28Å; F322-V345 HydrophobicContact CE1-CG1 3.75Å; F322-V345 HydrophobicContact CG-CG1 4.39Å; F322-D346 VanDerWaalsContact CE1-OD1 3.31Å; F322-D346 WeakPolarHBondContact CE1-OD1 3.45Å
323	S	82.4	Confident	78.8	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.014	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	123.2	-174.4	-61.3	0	0	0	0	111.8	T150 N152 S320	T150-S323 CarbonylContact O-C 3.58Å; T150-S323 WeakPolarHBondContact O-CB 3.35Å; N152-S323 PolarHBondContact N-O 3.36Å; S320-S323 WeakPolarHBondContact CB-OG 3.16Å; S320-S323 PolarHBondContact N-OG 3.08Å; S320-S323 VanDerWaalsContact N-OG 3.12Å; S320-S323 PolarHBondContact O-N 2.67Å; S320-S323 VanDerWaalsContact O-N 3.13Å; S320-S323 PolarHBondContact O-OG 3.01Å
324	G	74.6	Confident	76.8	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.01	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	5.6	-175	0	0	0	0	0	115.7	F147 T150 F322 K326 L328	F147-G324 PolarHBondContact O-N 2.91Å; F147-G324 VanDerWaalsContact O-N 3.14Å; T150-G324 PolarHBondContact O-N 3.48Å; F322-G324 PolarHBondContact O-N 2.88Å; G324-K326 PolarHBondContact O-N 3.06Å; G324-L328 PolarHBondContact O-N 3.47Å
325	I	73.1	Confident	74.3	Confident	30 Å²	30	46 Å²	46	15%	0.154	25%	0.249	C	C	.	.	H	α-helix	trans	-66.7	-32.9	-175.4	-158.3	168.2	0	0	0	113.4	F322 L328 V329 I342 V345	F322-I325 HydrophobicContact CB-CG2 4.33Å; F322-I325 HydrophobicContact CD1-CD1 4.33Å; F322-I325 VanDerWaalsContact O-CB 3.25Å; F322-I325 WeakPolarHBondContact O-CB 3.36Å; F322-I325 WeakPolarHBondContact O-CG2 3.16Å; F322-I325 PolarHBondContact O-N 2.97Å; I325-L328 WeakPolarHBondContact O-CB 3.38Å; I325-L328 PolarHBondContact O-N 2.64Å; I325-V329 HydrophobicContact CG1-CG2 4.36Å; I325-V329 WeakPolarHBondContact O-CG2 3.46Å; I325-V329 PolarHBondContact O-N 2.84Å; I325-I342 HydrophobicContact CD1-CG1 4.43Å; I325-V345 HydrophobicContact CD1-CB 4.4Å; I325-V345 HydrophobicContact CD1-CG1 4.36Å; I325-V345 HydrophobicContact CD1-CG2 4.27Å
326	K	69.6	Low	71.8	Confident	82 Å²	82	48.8 Å²	48.8	36%	0.357	28%	0.281	S	S	.	.	H	α-helix	trans	-60	-49.6	179.5	-73.6	-170.2	173.8	-171.9	0	111.3	L242 D243 G324 L328 V329 T330	L242-K326 HydrophobicContact CD1-CD 4.48Å; L242-K326 PolarHBondContact O-NZ 3.17Å; L242-K326 VanDerWaalsContact O-NZ 3.13Å; D243-K326 IonicContact OD1-NZ 3.5Å; D243-K326 PolarHBondContact OD1-NZ 2.68Å; D243-K326 VanDerWaalsContact OD2-CE 3.22Å; D243-K326 WeakPolarHBondContact OD2-CE 3.41Å; D243-K326 IonicContact OD2-NZ 2.63Å; D243-K326 PolarHBondContact OD2-NZ 2.59Å; G324-K326 PolarHBondContact O-N 3.06Å; K326-L328 VanDerWaalsContact C-N 3.3Å; K326-L328 PolarHBondContact O-N 3.3Å; K326-V329 PolarHBondContact O-N 2.78Å; K326-T330 PolarHBondContact O-N 2.96Å; K326-T330 PolarHBondContact O-OG1 2.88Å
327	E	66.6	Low	69.4	Low	72 Å²	72	51.5 Å²	51.5	34%	0.336	30%	0.3	S	S	.	.	H	α-helix	trans	-59.7	-40.5	177.5	-166	-164.9	-176.9	0	0	112	Q151 T330 K331	Q151-E327 PolarHBondContact NE2-OE2 3.46Å; E327-T330 PolarHBondContact O-N 3.03Å; E327-K331 HydrophobicContact CG-CD 4.42Å; E327-K331 WeakPolarHBondContact O-CG 3.35Å; E327-K331 PolarHBondContact O-N 2.81Å; E327-K331 VanDerWaalsContact OE1-CE 3.28Å; E327-K331 WeakPolarHBondContact OE1-CE 3.32Å; E327-K331 IonicContact OE1-NZ 3.31Å; E327-K331 PolarHBondContact OE1-NZ 3.34Å
328	L	63.6	Low	66.9	Low	29 Å²	29	55 Å²	55	15%	0.152	32%	0.324	C	S	.	.	H	α-helix	trans	-62.6	-45.6	175.9	-101.1	152.7	0	0	0	112.6	L155 G324 I325 K326 K331 A332 I339	L155-L328 HydrophobicContact CB-CD1 3.71Å; L155-L328 HydrophobicContact CD1-CD1 4.28Å; G324-L328 PolarHBondContact O-N 3.47Å; I325-L328 WeakPolarHBondContact O-CB 3.38Å; I325-L328 PolarHBondContact O-N 2.64Å; K326-L328 VanDerWaalsContact C-N 3.3Å; K326-L328 PolarHBondContact O-N 3.3Å; L328-K331 PolarHBondContact O-N 3.36Å; L328-A332 WeakPolarHBondContact O-CB 3.24Å; L328-A332 PolarHBondContact O-N 3.33Å; L328-I339 HydrophobicContact CD2-CD1 4.38Å; L328-I339 HydrophobicContact CD2-CG1 4.24Å; L328-I339 HydrophobicContact CD2-CG2 4.36Å
329	V	66.1	Low	64.9	Low	56 Å²	56	56.3 Å²	56.3	34%	0.339	33%	0.328	S	S	.	.	H	α-helix	trans	-63.6	-44.5	175.9	171.7	0	0	0	0	110.7	I325 K326 K331 A332 C333 I342	I325-V329 HydrophobicContact CG1-CG2 4.36Å; I325-V329 WeakPolarHBondContact O-CG2 3.46Å; I325-V329 PolarHBondContact O-N 2.84Å; K326-V329 PolarHBondContact O-N 2.78Å; V329-K331 PolarHBondContact O-N 2.96Å; V329-A332 VanDerWaalsContact O-CB 3.29Å; V329-A332 WeakPolarHBondContact O-CB 3.44Å; V329-A332 PolarHBondContact O-N 2.98Å; V329-A332 VanDerWaalsContact O-N 3.11Å; V329-C333 PolarHBondContact O-N 2.92Å; V329-C333 PolarHBondContact O-SG 2.89Å; V329-I342 HydrophobicContact CG2-CD1 4.27Å
330	T	66.5	Low	63.2	Low	95 Å²	95	57.1 Å²	57.1	58%	0.583	33%	0.332	S	S	*	.	H	α-helix	trans	-60.1	-45.8	178.2	-46.5	0	0	0	0	111.4	K326 E327 A332 C333 S334	K326-T330 PolarHBondContact O-N 2.96Å; K326-T330 PolarHBondContact O-OG1 2.88Å; E327-T330 PolarHBondContact O-N 3.03Å; T330-A332 VanDerWaalsContact C-N 3.32Å; T330-A332 PolarHBondContact O-N 2.81Å; T330-C333 PolarHBondContact O-N 3.28Å; T330-S334 PolarHBondContact O-N 2.55Å; T330-S334 PolarHBondContact O-OG 3.07Å; T330-S334 VanDerWaalsContact O-OG 3.13Å
331	K	62.7	Low	61.6	Low	95 Å²	95	60.9 Å²	60.9	41%	0.413	36%	0.355	S	S	.	.	H	α-helix	trans	-67.1	-29.9	175.3	-69.8	176.7	-174	173	0	112.7	E327 L328 V329 S334 Y335	E327-K331 HydrophobicContact CG-CD 4.42Å; E327-K331 WeakPolarHBondContact O-CG 3.35Å; E327-K331 PolarHBondContact O-N 2.81Å; E327-K331 VanDerWaalsContact OE1-CE 3.28Å; E327-K331 WeakPolarHBondContact OE1-CE 3.32Å; E327-K331 IonicContact OE1-NZ 3.31Å; E327-K331 PolarHBondContact OE1-NZ 3.34Å; L328-K331 PolarHBondContact O-N 3.36Å; V329-K331 PolarHBondContact O-N 2.96Å; K331-S334 WeakPolarHBondContact O-CB 3.39Å; K331-S334 PolarHBondContact O-N 3.28Å; K331-Y335 WeakPolarHBondContact O-CD2 3.24Å; K331-Y335 PolarHBondContact O-N 3.48Å; K331-Y335 VanDerWaalsContact O-N 3.15Å
332	A	57.2	Low	60.5	Low	25 Å²	25	64.6 Å²	64.6	21%	0.207	37%	0.374	C	S	.	.	H	α-helix	trans	-60.9	-47.2	175.7	0	0	0	0	0	112.5	L328 V329 T330 S334 Y335 G336 I339	L328-A332 WeakPolarHBondContact O-CB 3.24Å; L328-A332 PolarHBondContact O-N 3.33Å; V329-A332 VanDerWaalsContact O-CB 3.29Å; V329-A332 WeakPolarHBondContact O-CB 3.44Å; V329-A332 PolarHBondContact O-N 2.98Å; V329-A332 VanDerWaalsContact O-N 3.11Å; T330-A332 VanDerWaalsContact C-N 3.32Å; T330-A332 PolarHBondContact O-N 2.81Å; A332-S334 PolarHBondContact O-N 3.48Å; A332-Y335 PolarHBondContact O-N 2.79Å; A332-G336 PolarHBondContact O-N 2.77Å; A332-G336 VanDerWaalsContact O-N 3.15Å; A332-I339 VanDerWaalsContact CA-CD1 3.46Å; A332-I339 HydrophobicContact CB-CB 3.67Å; A332-I339 HydrophobicContact CB-CD1 3.49Å; A332-I339 VanDerWaalsContact CB-CD1 3.49Å; A332-I339 HydrophobicContact CB-CG1 4.15Å; A332-I339 HydrophobicContact CB-CG2 3.77Å
333	C	54.2	Low	60.1	Low	112 Å²	112	66.8 Å²	66.8	76%	0.757	39%	0.39	S	S	*	.	H	α-helix	trans	-61.2	-28	177.3	-63.3	0	0	0	0	112.1	V329 T330	V329-C333 PolarHBondContact O-N 2.92Å; V329-C333 PolarHBondContact O-SG 2.89Å; T330-C333 PolarHBondContact O-N 3.28Å
334	S	52	Low	59.9	Low	86 Å²	86	67.8 Å²	67.8	60%	0.601	40%	0.395	S	S	*	.	H	α-helix	trans	-78.5	-35.2	177	-41.3	0	0	0	0	114.3	T330 K331 A332	T330-S334 PolarHBondContact O-N 2.55Å; T330-S334 PolarHBondContact O-OG 3.07Å; T330-S334 VanDerWaalsContact O-OG 3.13Å; K331-S334 WeakPolarHBondContact O-CB 3.39Å; K331-S334 PolarHBondContact O-N 3.28Å; A332-S334 PolarHBondContact O-N 3.48Å
335	Y	45.4	Very low	60.2	Low	183 Å²	183	67.8 Å²	67.8	72%	0.718	40%	0.395	S	S	*	.	H	α-helix	trans	-111.2	-2.2	-166.5	-74.3	-73.1	0	0	0	115.7	K331 A332 S337	K331-Y335 WeakPolarHBondContact O-CD2 3.24Å; K331-Y335 PolarHBondContact O-N 3.48Å; K331-Y335 VanDerWaalsContact O-N 3.15Å; A332-Y335 PolarHBondContact O-N 2.79Å; Y335-S337 PolarHBondContact O-N 2.97Å
336	G	42.9	Very low	60.5	Low	80 Å²	80	69.8 Å²	69.8	83%	0.825	41%	0.406	S	S	*	.			trans	60.2	14.3	172.1	0	0	0	0	0	115.6	A332	A332-G336 PolarHBondContact O-N 2.77Å; A332-G336 VanDerWaalsContact O-N 3.15Å
337	S	46.8	Very low	61	Low	63 Å²	63	71.6 Å²	71.6	44%	0.441	41%	0.41	S	S	.	.	S	Bend	trans	-123.8	109.2	-166.9	-176.9	0	0	0	0	111.5	Y335 I339	Y335-S337 PolarHBondContact O-N 2.97Å; S337-I339 PolarHBondContact O-N 3.18Å
338	C	44.8	Very low	62	Low	74 Å²	74	68.3 Å²	68.3	50%	0.5	40%	0.395	S	S	.	.			trans	26.6	63.8	155.5	-160.8	0	0	0	0	116.4
339	I	49.9	Very low	63.2	Low	66 Å²	66	67 Å²	67	34%	0.338	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-97.9	153.6	165.8	-82.4	152.3	0	0	0	109.3	L328 A332 S337	L328-I339 HydrophobicContact CD2-CD1 4.38Å; L328-I339 HydrophobicContact CD2-CG1 4.24Å; L328-I339 HydrophobicContact CD2-CG2 4.36Å; A332-I339 VanDerWaalsContact CA-CD1 3.46Å; A332-I339 HydrophobicContact CB-CB 3.67Å; A332-I339 HydrophobicContact CB-CD1 3.49Å; A332-I339 VanDerWaalsContact CB-CD1 3.49Å; A332-I339 HydrophobicContact CB-CG1 4.15Å; A332-I339 HydrophobicContact CB-CG2 3.77Å; S337-I339 PolarHBondContact O-N 3.18Å
340	M	54	Low	64.5	Low	24 Å²	24	64.4 Å²	64.4	12%	0.118	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-56.2	138.7	-167.2	-64.2	-166.6	45.8	0	0	112	L155 F165 K169 F173 I342 E344 V345	L155-M340 HydrophobicContact CD2-CE 3.99Å; L155-M340 HydrophobicContact CD2-SD 3.41Å; L155-M340 WeakPolarHBondContact CD2-SD 3.02Å; F165-M340 HydrophobicContact CZ-SD 4.3Å; K169-M340 HydrophobicContact CD-CE 4.21Å; K169-M340 HydrophobicContact CD-CG 4.09Å; K169-M340 HydrophobicContact CD-SD 4.02Å; K169-M340 HydrophobicContact CG-CE 4.17Å; K169-M340 HydrophobicContact CG-SD 4.2Å; F173-M340 HydrophobicContact CB-CE 3.73Å; F173-M340 HydrophobicContact CD1-CE 4.06Å; F173-M340 HydrophobicContact CD2-CE 3.82Å; F173-M340 HydrophobicContact CD2-SD 4.34Å; F173-M340 HydrophobicContact CE2-CE 4.42Å; F173-M340 HydrophobicContact CG-CE 3.61Å; M340-I342 PolarHBondContact O-N 3.19Å; M340-E344 HydrophobicContact CE-CB 4.19Å; M340-V345 HydrophobicContact CE-CG2 3.79Å
341	T	54.8	Low	65.9	Low	80 Å²	80	60 Å²	60	49%	0.491	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-66.9	116.8	165.5	38.7	0	0	0	0	106.7	E344	T341-E344 WeakPolarHBondContact O-CB 3.12Å; T341-E344 PolarHBondContact O-N 3.47Å; T341-E344 WeakPolarHBondContact OG1-CG 3.08Å; T341-E344 PolarHBondContact OG1-OE2 2.81Å
342	I	63.4	Low	67.5	Low	79 Å²	79	55.4 Å²	55.4	41%	0.405	33%	0.325	S	S	.	.	H	α-helix	trans	-41.5	-41	174.2	-62.6	165.1	0	0	0	112	I325 V329 M340 E344 V345 D346	I325-I342 HydrophobicContact CD1-CG1 4.43Å; V329-I342 HydrophobicContact CG2-CD1 4.27Å; M340-I342 PolarHBondContact O-N 3.19Å; I342-E344 PolarHBondContact O-N 3.35Å; I342-V345 PolarHBondContact O-N 2.58Å; I342-D346 PolarHBondContact O-N 2.86Å
343	P	71.9	Confident	69.5	Low	68 Å²	68	54.2 Å²	54.2	44%	0.442	32%	0.316	S	S	.	.	H	α-helix	trans	-49.1	-23.8	170.4	-34.6	36.1	0	0	0	118.8	D346 R347	P343-D346 WeakPolarHBondContact CA-OD2 3.18Å; P343-R347 VanDerWaalsContact O-CD 3.24Å; P343-R347 WeakPolarHBondContact O-CD 3.13Å; P343-R347 VanDerWaalsContact O-CG 3.24Å; P343-R347 WeakPolarHBondContact O-CG 3.21Å; P343-R347 PolarHBondContact O-NE 2.93Å; P343-R347 VanDerWaalsContact O-NE 3.16Å
344	E	77.7	Confident	71.5	Confident	24 Å²	24	48.9 Å²	48.9	11%	0.112	28%	0.28	C	S	.	.	H	α-helix	trans	-78.7	-37.1	174.8	-69.3	169.8	149.8	0	0	111.7	K169 F173 T175 M340 T341 I342	K169-E344 VanDerWaalsContact CE-CD 3.49Å; K169-E344 WeakPolarHBondContact CE-OE1 3.44Å; K169-E344 WeakPolarHBondContact CE-OE2 3.38Å; K169-E344 IonicContact NZ-OE1 3.31Å; K169-E344 PolarHBondContact NZ-OE1 2.91Å; K169-E344 IonicContact NZ-OE2 2.62Å; K169-E344 PolarHBondContact NZ-OE2 3.2Å; F173-E344 HydrophobicContact CB-CB 4.47Å; T175-E344 HydrophobicContact CG2-CG 3.72Å; T175-E344 WeakPolarHBondContact CG2-OE1 3.46Å; M340-E344 HydrophobicContact CE-CB 4.19Å; T341-E344 WeakPolarHBondContact O-CB 3.12Å; T341-E344 PolarHBondContact O-N 3.47Å; T341-E344 WeakPolarHBondContact OG1-CG 3.08Å; T341-E344 PolarHBondContact OG1-OE2 2.81Å; I342-E344 PolarHBondContact O-N 3.35Å
345	V	80.4	Confident	73.7	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.006	25%	0.251	C	S	.	.	H	α-helix	trans	-74.9	-39.4	178.1	-173	0	0	0	0	110.2	L155 F173 P321 F322 I325 M340 I342 R347 V348	L155-V345 HydrophobicContact CD2-CG2 4.06Å; F173-V345 HydrophobicContact CD1-CG2 4.36Å; F173-V345 HydrophobicContact CE1-CG1 4.47Å; F173-V345 HydrophobicContact CE1-CG2 4.41Å; P321-V345 HydrophobicContact CB-CG1 3.79Å; P321-V345 WeakPolarHBondContact O-CG1 3.37Å; F322-V345 HydrophobicContact CD1-CB 4.44Å; F322-V345 HydrophobicContact CD1-CG1 3.6Å; F322-V345 HydrophobicContact CE1-CB 4.28Å; F322-V345 HydrophobicContact CE1-CG1 3.75Å; F322-V345 HydrophobicContact CG-CG1 4.39Å; I325-V345 HydrophobicContact CD1-CB 4.4Å; I325-V345 HydrophobicContact CD1-CG1 4.36Å; I325-V345 HydrophobicContact CD1-CG2 4.27Å; M340-V345 HydrophobicContact CE-CG2 3.79Å; I342-V345 PolarHBondContact O-N 2.58Å; V345-R347 PolarHBondContact O-N 2.85Å; V345-R347 VanDerWaalsContact O-N 3.13Å; V345-V348 PolarHBondContact O-N 3.2Å
346	D	79	Confident	76.1	Confident	71 Å²	71	36.1 Å²	36.1	38%	0.38	22%	0.217	S	C	.	.	H	α-helix	trans	-54.7	-32.7	175.5	-66.6	-32.4	0	0	0	113	R237 F322 I342 P343 V348 T368	R237-D346 PolarHBondContact NH2-O 3.19Å; F322-D346 VanDerWaalsContact CE1-OD1 3.31Å; F322-D346 WeakPolarHBondContact CE1-OD1 3.45Å; I342-D346 PolarHBondContact O-N 2.86Å; P343-D346 WeakPolarHBondContact CA-OD2 3.18Å; D346-V348 VanDerWaalsContact C-N 3.34Å; D346-T368 VanDerWaalsContact O-CG2 3.23Å; D346-T368 WeakPolarHBondContact O-CG2 3.3Å; D346-T368 PolarHBondContact O-OG1 3.09Å
347	R	81.7	Confident	78.5	Confident	121 Å²	121	32.4 Å²	32.4	46%	0.457	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-12.3	179.3	-70.8	170.4	-163.1	-153	-4.2	114	T175 P343 V345 P367 T368	T175-R347 PolarHBondContact O-NH1 2.82Å; P343-R347 VanDerWaalsContact O-CD 3.24Å; P343-R347 WeakPolarHBondContact O-CD 3.13Å; P343-R347 VanDerWaalsContact O-CG 3.24Å; P343-R347 WeakPolarHBondContact O-CG 3.21Å; P343-R347 PolarHBondContact O-NE 2.93Å; P343-R347 VanDerWaalsContact O-NE 3.16Å; V345-R347 PolarHBondContact O-N 2.85Å; V345-R347 VanDerWaalsContact O-N 3.13Å; R347-P367 CarbonylContact O-C 3.49Å; R347-P367 VanDerWaalsContact O-CA 3.25Å; R347-P367 WeakPolarHBondContact O-CA 3.48Å; R347-T368 WeakPolarHBondContact CA-OG1 3.22Å; R347-T368 PolarHBondContact O-N 3.28Å; R347-T368 PolarHBondContact O-OG1 3.44Å
348	V	87.4	Confident	80.7	Confident	2 Å²	2	30 Å²	30	1%	0.012	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	124.2	178.9	177.4	0	0	0	0	110	F173 R237 P321 V345 D346	F173-V348 HydrophobicContact CD1-CB 4.34Å; F173-V348 HydrophobicContact CD1-CG2 3.76Å; F173-V348 HydrophobicContact CE1-CG2 4.47Å; R237-V348 PolarHBondContact NE-O 3.28Å; R237-V348 PolarHBondContact NH2-O 3.29Å; P321-V348 HydrophobicContact CB-CB 4.37Å; P321-V348 HydrophobicContact CB-CG1 4.29Å; P321-V348 HydrophobicContact CG-CB 4.36Å; P321-V348 HydrophobicContact CG-CG1 3.9Å; P321-V348 WeakPolarHBondContact CG-O 3.48Å; V345-V348 PolarHBondContact O-N 3.2Å; D346-V348 VanDerWaalsContact C-N 3.34Å
349	L	89.1	Confident	83.1	Confident	3 Å²	3	26.5 Å²	26.5	2%	0.016	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	-48.8	172.3	-176.7	74.1	0	0	0	110.3	R237 F253 W316 P321 I366 T368	R237-L349 VanDerWaalsContact CD-O 3.3Å; R237-L349 WeakPolarHBondContact CD-O 3.36Å; R237-L349 PolarHBondContact NE-O 3.09Å; F253-L349 HydrophobicContact CB-CD2 3.91Å; F253-L349 HydrophobicContact CD1-CD1 4.38Å; F253-L349 HydrophobicContact CD1-CD2 3.67Å; F253-L349 HydrophobicContact CD2-CD1 3.56Å; F253-L349 HydrophobicContact CD2-CD2 4.05Å; F253-L349 HydrophobicContact CD2-CG 4.34Å; F253-L349 HydrophobicContact CE1-CD1 4.29Å; F253-L349 HydrophobicContact CE1-CD2 4.12Å; F253-L349 HydrophobicContact CE2-CD1 3.46Å; F253-L349 VanDerWaalsContact CE2-CD1 3.46Å; F253-L349 HydrophobicContact CE2-CD2 4.47Å; F253-L349 HydrophobicContact CG-CD1 4.04Å; F253-L349 HydrophobicContact CG-CD2 3.62Å; F253-L349 HydrophobicContact CG-CG 4.39Å; F253-L349 HydrophobicContact CZ-CD1 3.85Å; W316-L349 HydrophobicContact CH2-CD2 3.96Å; P321-L349 WeakPolarHBondContact CG-O 3.4Å; L349-I366 HydrophobicContact CB-CB 4.36Å; L349-I366 HydrophobicContact CB-CG2 4.28Å; L349-I366 WeakPolarHBondContact CB-O 3.49Å; L349-I366 HydrophobicContact CD2-CB 4.47Å; L349-I366 HydrophobicContact CD2-CG2 3.87Å; L349-I366 PolarHBondContact N-O 2.96Å; L349-T368 HydrophobicContact CB-CG2 4.22Å
350	G	92.5	Very high	85.3	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.4	175.3	179	0	0	0	0	0	111.3	S365 I366	G350-S365 WeakPolarHBondContact O-CA 3.1Å; G350-I366 PolarHBondContact O-N 3.27Å
351	H	95.2	Very high	87.3	Confident	2 Å²	2	23.8 Å²	23.8	1%	0.009	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124.7	175.7	-58.5	92.4	0	0	0	110.3	F154 L172 F173 W316 I317 I363 F364	F154-H351 AromaticContact CD2-CD2 3.9Å; F154-H351 AromaticContact CD2-CG 4Å; F154-H351 AromaticContact CD2-NE2 3.97Å; F154-H351 HydrophobicContact CE2-CB 4.21Å; F154-H351 AromaticContact CE2-CG 3.95Å; L172-H351 PolarHBondContact O-NE2 3.11Å; F173-H351 AromaticContact CE1-CE1 3.59Å; F173-H351 AromaticContact CE1-NE2 3.83Å; F173-H351 AromaticContact CZ-CE1 3.5Å; F173-H351 AromaticContact CZ-NE2 3.75Å; W316-H351 CarbonylContact C-O 3.55Å; W316-H351 WeakPolarHBondContact CA-O 3.41Å; I317-H351 HydrophobicContact CB-CB 4.22Å; I317-H351 HydrophobicContact CD1-CB 3.79Å; I317-H351 HydrophobicContact CG1-CB 4.06Å; I317-H351 PolarHBondContact N-O 3.36Å; H351-I363 HydrophobicContact CB-CG2 4.26Å; H351-F364 CarbonylContact C-O 3.54Å; H351-F364 WeakPolarHBondContact CA-O 3.42Å
352	L	97.3	Very high	89.3	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	129.7	-179.1	-169.6	65.1	0	0	0	110	A255 I279 I281 M314 W316 V354 I363 F364 I366	A255-L352 HydrophobicContact CB-CD1 3.82Å; A255-L352 HydrophobicContact CB-CD2 4.16Å; I279-L352 HydrophobicContact CG2-CD2 4.04Å; I281-L352 HydrophobicContact CD1-CD2 4.08Å; M314-L352 HydrophobicContact CG-CD1 3.74Å; M314-L352 HydrophobicContact CG-CD2 4.39Å; M314-L352 HydrophobicContact CG-CG 4.1Å; M314-L352 HydrophobicContact SD-CD1 4.07Å; M314-L352 HydrophobicContact SD-CD2 3.84Å; M314-L352 HydrophobicContact SD-CG 4.21Å; W316-L352 HydrophobicContact CD2-CD1 3.81Å; W316-L352 HydrophobicContact CE3-CB 4.37Å; W316-L352 HydrophobicContact CE3-CD1 4.42Å; W316-L352 HydrophobicContact CG-CD1 3.93Å; W316-L352 HydrophobicContact CZ2-CD1 4.41Å; L352-V354 HydrophobicContact CD2-CG2 4.17Å; L352-V354 HydrophobicContact CG-CG2 4.03Å; L352-I363 VanDerWaalsContact O-CA 3.3Å; L352-I363 WeakPolarHBondContact O-CA 3.39Å; L352-F364 HydrophobicContact CB-CD2 4.44Å; L352-F364 HydrophobicContact CB-CE2 4.08Å; L352-F364 HydrophobicContact CB-CZ 4.45Å; L352-F364 HydrophobicContact CD2-CE2 3.88Å; L352-F364 HydrophobicContact CD2-CZ 3.97Å; L352-F364 HydrophobicContact CG-CE2 4.47Å; L352-F364 HydrophobicContact CG-CZ 4.5Å; L352-F364 PolarHBondContact N-O 2.83Å; L352-F364 PolarHBondContact O-N 2.87Å; L352-F364 VanDerWaalsContact O-N 3.15Å; L352-I366 HydrophobicContact CB-CG1 4.39Å
353	I	98.3	Very high	90.9	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	130	173.2	-47.6	-179	0	0	0	108	M314 C315 I317 I361 I363 I414 L422	M314-I353 WeakPolarHBondContact CA-O 3.27Å; M314-I353 WeakPolarHBondContact CG-O 3.41Å; C315-I353 PolarHBondContact N-O 3.35Å; C315-I353 WeakPolarHBondContact O-CA 3.34Å; C315-I353 VanDerWaalsContact O-CB 3.27Å; C315-I353 WeakPolarHBondContact O-CB 3.35Å; C315-I353 PolarHBondContact O-N 3.44Å; I317-I353 HydrophobicContact CG1-CD1 3.85Å; I317-I353 HydrophobicContact CG1-CG1 3.92Å; I353-I361 HydrophobicContact CG2-CG2 3.78Å; I353-I363 HydrophobicContact CB-CG1 4.41Å; I353-I363 HydrophobicContact CD1-CD1 4.44Å; I353-I363 HydrophobicContact CG1-CD1 4.18Å; I353-I363 HydrophobicContact CG1-CG1 4.11Å; I353-I363 HydrophobicContact CG1-CG2 4.47Å; I353-I363 HydrophobicContact CG2-CG1 4.16Å; I353-I414 HydrophobicContact CD1-CD1 4.11Å; I353-I414 HydrophobicContact CD1-CG2 4.17Å; I353-L422 HydrophobicContact CD1-CD1 3.83Å; I353-L422 HydrophobicContact CD1-CD2 4.18Å; I353-L422 HydrophobicContact CG2-CD1 4.39Å; I353-L422 HydrophobicContact CG2-CD2 4Å
354	V	97.7	Very high	92	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	123.9	-175.5	-173.4	0	0	0	0	109.5	I279 I311 M314 L352 I361 R362 F364	I279-V354 HydrophobicContact CD1-CG1 3.96Å; I279-V354 HydrophobicContact CD1-CG2 3.89Å; I311-V354 HydrophobicContact CB-CG1 4.38Å; I311-V354 HydrophobicContact CD1-CG1 3.46Å; I311-V354 VanDerWaalsContact CD1-CG1 3.46Å; I311-V354 HydrophobicContact CG1-CG1 3.97Å; I311-V354 HydrophobicContact CG2-CG1 3.6Å; M314-V354 HydrophobicContact CG-CG2 4.31Å; M314-V354 HydrophobicContact SD-CG2 4.49Å; L352-V354 HydrophobicContact CD2-CG2 4.17Å; L352-V354 HydrophobicContact CG-CG2 4.03Å; V354-I361 CarbonylContact O-C 3.54Å; V354-I361 VanDerWaalsContact O-CA 3.29Å; V354-I361 WeakPolarHBondContact O-CA 3.36Å; V354-R362 PolarHBondContact N-O 3.11Å; V354-R362 PolarHBondContact O-N 3.25Å; V354-F364 HydrophobicContact CB-CE1 4.35Å; V354-F364 HydrophobicContact CG2-CE1 3.55Å; V354-F364 HydrophobicContact CG2-CZ 3.59Å
355	A	97.1	Very high	92.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	127.5	171.3	0	0	0	0	0	110.3	I311 T312 D313 I361 P409 T412	I311-A355 WeakPolarHBondContact CA-O 3.34Å; T312-A355 PolarHBondContact N-O 2.83Å; T312-A355 WeakPolarHBondContact OG1-CB 3.48Å; T312-A355 PolarHBondContact OG1-O 2.89Å; T312-A355 VanDerWaalsContact OG1-O 3.11Å; D313-A355 HydrophobicContact CB-CB 4.28Å; D313-A355 PolarHBondContact O-N 3.21Å; A355-I361 HydrophobicContact CB-CG1 4.09Å; A355-P409 HydrophobicContact CB-CB 4.03Å; A355-P409 HydrophobicContact CB-CG 3.95Å; A355-T412 HydrophobicContact CB-CG2 4.01Å
356	C	95.4	Very high	93.2	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	142	-168.1	-61.9	0	0	0	0	112.1	W308 D358 G359 F360 R362 P409	W308-C356 HydrophobicContact CB-CB 4Å; W308-C356 WeakPolarHBondContact O-CB 3.47Å; C356-D358 WeakPolarHBondContact CB-OD1 3.25Å; C356-D358 PolarHBondContact O-N 3.38Å; C356-G359 PolarHBondContact O-N 3.31Å; C356-F360 WeakPolarHBondContact CB-O 3.49Å; C356-F360 PolarHBondContact N-O 3.3Å; C356-F360 VanDerWaalsContact N-O 3.07Å; C356-R362 PolarHBondContact SG-NH1 3.41Å; C356-R362 VanDerWaalsContact SG-NH1 3.35Å; C356-P409 WeakPolarHBondContact O-CD 3.41Å
357	Q	93.7	Very high	93.5	Very high	3 Å²	3	9.7 Å²	9.7	1%	0.014	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-17.9	177.2	-169.2	176.6	9.8	0	0	113.2	M272 K273 R310 T312 G359 W408	M272-Q357 VanDerWaalsContact CA-O 3.26Å; M272-Q357 WeakPolarHBondContact CA-O 3.16Å; K273-Q357 PolarHBondContact N-O 2.85Å; R310-Q357 HydrophobicContact CB-CB 4.34Å; R310-Q357 PolarHBondContact O-N 3.19Å; T312-Q357 HydrophobicContact CG2-CB 4.39Å; Q357-G359 PolarHBondContact O-N 3.43Å; Q357-W408 HydrophobicContact CG-CD2 4.47Å; Q357-W408 HydrophobicContact CG-CG 4.44Å
358	D	93.6	Very high	93.6	Very high	12 Å²	12	5.9 Å²	5.9	6%	0.064	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-6.2	169.6	71.3	2.8	0	0	0	114.5	N274 W308 C356 F360 R362	N274-D358 WeakPolarHBondContact OD1-CB 3.47Å; W308-D358 WeakPolarHBondContact CA-OD2 3.09Å; W308-D358 WeakPolarHBondContact O-CB 3.35Å; W308-D358 VanDerWaalsContact O-CG 3.25Å; W308-D358 PolarHBondContact O-N 3.3Å; C356-D358 WeakPolarHBondContact CB-OD1 3.25Å; C356-D358 PolarHBondContact O-N 3.38Å; D358-F360 HydrophobicContact CB-CD2 4.49Å; D358-F360 PolarHBondContact OD1-N 3.04Å; D358-R362 IonicContact OD1-CZ 3.85Å; D358-R362 IonicContact OD1-NH1 2.96Å; D358-R362 PolarHBondContact OD1-NH1 3.29Å; D358-R362 IonicContact OD1-NH2 3.63Å; D358-R362 IonicContact OD2-CZ 3.91Å; D358-R362 IonicContact OD2-NH1 3.02Å; D358-R362 PolarHBondContact OD2-NH1 2.74Å; D358-R362 IonicContact OD2-NH2 3.83Å; D358-R362 PolarHBondContact OD2-NH2 2.63Å
359	G	94.6	Very high	92.9	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.054	C	C	.	.	S	Bend	trans	99.4	-8.9	175.9	0	0	0	0	0	114.7	C356 Q357 N402	C356-G359 PolarHBondContact O-N 3.31Å; Q357-G359 PolarHBondContact O-N 3.43Å; G359-N402 WeakPolarHBondContact CA-ND2 3.47Å; G359-N402 PolarHBondContact O-ND2 2.96Å; G359-N402 VanDerWaalsContact O-ND2 3.13Å
360	F	95.7	Very high	91.6	Very high	33 Å²	33	10.9 Å²	10.9	15%	0.145	6%	0.064	C	C	.	.			trans	-98	158.2	-179.9	-61	-90.6	0	0	0	111.8	C356 D358 T394 S396 N402	C356-F360 WeakPolarHBondContact CB-O 3.49Å; C356-F360 PolarHBondContact N-O 3.3Å; C356-F360 VanDerWaalsContact N-O 3.07Å; D358-F360 HydrophobicContact CB-CD2 4.49Å; D358-F360 PolarHBondContact OD1-N 3.04Å; F360-T394 HydrophobicContact CB-CG2 4.19Å; F360-T394 HydrophobicContact CD1-CG2 3.52Å; F360-T394 HydrophobicContact CE1-CG2 4.24Å; F360-T394 HydrophobicContact CG-CG2 4.16Å; F360-S396 WeakPolarHBondContact CD1-OG 3.4Å; F360-S396 WeakPolarHBondContact CE1-OG 3.36Å; F360-N402 HydrophobicContact CE1-CB 4.47Å; F360-N402 HydrophobicContact CE2-CB 4.41Å; F360-N402 HydrophobicContact CZ-CB 4.34Å
361	I	97.3	Very high	89.9	Confident	1 Å²	1	12.7 Å²	12.7	1%	0.005	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	146.1	160.4	-76.1	160.4	0	0	0	108.7	I353 V354 A355 T394 L395 P409 T412 L422 V424	I353-I361 HydrophobicContact CG2-CG2 3.78Å; V354-I361 CarbonylContact O-C 3.54Å; V354-I361 VanDerWaalsContact O-CA 3.29Å; V354-I361 WeakPolarHBondContact O-CA 3.36Å; A355-I361 HydrophobicContact CB-CG1 4.09Å; I361-T394 CarbonylContact O-C 3.52Å; I361-L395 HydrophobicContact CB-CB 3.81Å; I361-L395 HydrophobicContact CG2-CB 4Å; I361-L395 HydrophobicContact CG2-CD2 4.11Å; I361-L395 PolarHBondContact N-O 2.95Å; I361-L395 PolarHBondContact O-N 3.29Å; I361-P409 HydrophobicContact CD1-CB 4.03Å; I361-P409 HydrophobicContact CD1-CG 4.44Å; I361-P409 HydrophobicContact CG1-CB 4.14Å; I361-P409 HydrophobicContact CG1-CG 4.03Å; I361-T412 HydrophobicContact CD1-CG2 4.07Å; I361-L422 HydrophobicContact CG2-CD2 4.46Å; I361-V424 HydrophobicContact CD1-CB 3.9Å; I361-V424 HydrophobicContact CD1-CG1 3.31Å; I361-V424 HydrophobicContact CD1-CG2 3.26Å
362	R	96.3	Very high	87.5	Confident	15 Å²	15	20.3 Å²	20.3	6%	0.057	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	137.8	178.8	-65.3	175.6	178.1	83.4	-0.1	110.1	W308 V354 C356 D358 F364 Y392 L393	W308-R362 VanDerWaalsContact CD1-CZ 3.49Å; W308-R362 VanDerWaalsContact CD2-CD 3.49Å; W308-R362 VanDerWaalsContact CE2-CD 3.4Å; V354-R362 PolarHBondContact N-O 3.11Å; V354-R362 PolarHBondContact O-N 3.25Å; C356-R362 PolarHBondContact SG-NH1 3.41Å; C356-R362 VanDerWaalsContact SG-NH1 3.35Å; D358-R362 IonicContact OD1-CZ 3.85Å; D358-R362 IonicContact OD1-NH1 2.96Å; D358-R362 PolarHBondContact OD1-NH1 3.29Å; D358-R362 IonicContact OD1-NH2 3.63Å; D358-R362 IonicContact OD2-CZ 3.91Å; D358-R362 IonicContact OD2-NH1 3.02Å; D358-R362 PolarHBondContact OD2-NH1 2.74Å; D358-R362 IonicContact OD2-NH2 3.83Å; D358-R362 PolarHBondContact OD2-NH2 2.63Å; R362-F364 HydrophobicContact CB-CD1 4.37Å; R362-F364 HydrophobicContact CB-CE1 4.45Å; R362-Y392 HydrophobicContact CB-CD2 4.18Å; R362-Y392 HydrophobicContact CG-CD2 3.78Å; R362-Y392 HydrophobicContact CG-CE2 4.01Å; R362-L393 WeakPolarHBondContact CA-O 3.37Å
363	I	97.2	Very high	85.2	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127	172.9	-51.1	-178.6	0	0	0	108.9	F154 L172 I317 H351 L352 I353 Y392 L393 L395 L422 L436	F154-I363 HydrophobicContact CE2-CG2 3.98Å; F154-I363 HydrophobicContact CZ-CD1 4.31Å; F154-I363 HydrophobicContact CZ-CG2 3.98Å; L172-I363 WeakPolarHBondContact CD2-O 3.18Å; I317-I363 HydrophobicContact CD1-CG2 4.24Å; H351-I363 HydrophobicContact CB-CG2 4.26Å; L352-I363 VanDerWaalsContact O-CA 3.3Å; L352-I363 WeakPolarHBondContact O-CA 3.39Å; I353-I363 HydrophobicContact CB-CG1 4.41Å; I353-I363 HydrophobicContact CD1-CD1 4.44Å; I353-I363 HydrophobicContact CG1-CD1 4.18Å; I353-I363 HydrophobicContact CG1-CG1 4.11Å; I353-I363 HydrophobicContact CG1-CG2 4.47Å; I353-I363 HydrophobicContact CG2-CG1 4.16Å; I363-Y392 CarbonylContact O-C 3.57Å; I363-Y392 VanDerWaalsContact O-CA 3.24Å; I363-Y392 WeakPolarHBondContact O-CA 3.3Å; I363-Y392 WeakPolarHBondContact O-CB 3.31Å; I363-L393 HydrophobicContact CB-CB 4.33Å; I363-L393 PolarHBondContact N-O 3.19Å; I363-L393 PolarHBondContact O-N 3.1Å; I363-L395 HydrophobicContact CD1-CD1 3.98Å; I363-L395 HydrophobicContact CD1-CD2 4.08Å; I363-L395 HydrophobicContact CG1-CD1 4.1Å; I363-L422 HydrophobicContact CD1-CD2 4.34Å; I363-L436 HydrophobicContact CD1-CD1 4.11Å; I363-L436 HydrophobicContact CD1-CD2 3.57Å; I363-L436 HydrophobicContact CD1-CG 4.49Å
364	F	94.4	Very high	82.3	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	156.7	179.1	48.2	-92.2	0	0	0	112.1	W179 I279 I304 W308 H351 L352 V354 R362 I366 L387	W179-F364 HydrophobicContact CH2-CD2 4.19Å; W179-F364 HydrophobicContact CH2-CE2 4.43Å; W179-F364 HydrophobicContact CZ2-CD2 4.33Å; I279-F364 HydrophobicContact CD1-CZ 4.02Å; I304-F364 HydrophobicContact CD1-CE2 3.57Å; I304-F364 HydrophobicContact CD1-CZ 4.1Å; W308-F364 HydrophobicContact CH2-CD1 4.28Å; W308-F364 AromaticContact CH2-CE1 3.77Å; W308-F364 HydrophobicContact CH2-CE1 3.77Å; W308-F364 HydrophobicContact CH2-CZ 4.39Å; W308-F364 AromaticContact CZ3-CE1 3.75Å; W308-F364 HydrophobicContact CZ3-CE1 3.75Å; W308-F364 HydrophobicContact CZ3-CZ 4.26Å; H351-F364 CarbonylContact C-O 3.54Å; H351-F364 WeakPolarHBondContact CA-O 3.42Å; L352-F364 HydrophobicContact CB-CD2 4.44Å; L352-F364 HydrophobicContact CB-CE2 4.08Å; L352-F364 HydrophobicContact CB-CZ 4.45Å; L352-F364 HydrophobicContact CD2-CE2 3.88Å; L352-F364 HydrophobicContact CD2-CZ 3.97Å; L352-F364 HydrophobicContact CG-CE2 4.47Å; L352-F364 HydrophobicContact CG-CZ 4.5Å; L352-F364 PolarHBondContact N-O 2.83Å; L352-F364 PolarHBondContact O-N 2.87Å; L352-F364 VanDerWaalsContact O-N 3.15Å; V354-F364 HydrophobicContact CB-CE1 4.35Å; V354-F364 HydrophobicContact CG2-CE1 3.55Å; V354-F364 HydrophobicContact CG2-CZ 3.59Å; R362-F364 HydrophobicContact CB-CD1 4.37Å; R362-F364 HydrophobicContact CB-CE1 4.45Å; F364-I366 HydrophobicContact CD2-CD1 3.94Å; F364-I366 HydrophobicContact CE2-CD1 3.76Å; F364-L387 HydrophobicContact CB-CD1 4.09Å; F364-L387 HydrophobicContact CB-CD2 4.49Å; F364-L387 HydrophobicContact CD1-CD1 3.81Å; F364-L387 HydrophobicContact CD2-CD1 3.76Å; F364-L387 HydrophobicContact CE1-CD1 4.13Å; F364-L387 HydrophobicContact CE2-CD1 4.08Å; F364-L387 HydrophobicContact CG-CD1 3.61Å; F364-L387 HydrophobicContact CZ-CD1 4.25Å
365	S	92.4	Very high	79.4	Confident	3 Å²	3	36 Å²	36	2%	0.021	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	124	-179.8	55.9	0	0	0	0	112	L172 P174 W179 G350	L172-S365 VanDerWaalsContact O-CB 3.22Å; L172-S365 WeakPolarHBondContact O-CB 3.21Å; L172-S365 PolarHBondContact O-OG 2.68Å; P174-S365 WeakPolarHBondContact CD-OG 3.37Å; W179-S365 WeakPolarHBondContact CZ2-O 3.43Å; W179-S365 PolarHBondContact NE1-O 3.07Å; G350-S365 WeakPolarHBondContact O-CA 3.1Å
366	I	90.9	Very high	76.3	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	131.7	171	-58.8	-56.3	0	0	0	109.6	W179 I281 F302 I304 W316 L349 G350 L352 F364	W179-I366 HydrophobicContact CH2-CD1 4.16Å; W179-I366 HydrophobicContact CZ2-CD1 4.16Å; I281-I366 HydrophobicContact CD1-CD1 4.11Å; I281-I366 HydrophobicContact CD1-CG1 4.3Å; I281-I366 HydrophobicContact CG1-CD1 4.08Å; I281-I366 HydrophobicContact CG1-CG1 4.44Å; I281-I366 HydrophobicContact CG1-CG2 4.39Å; I281-I366 HydrophobicContact CG2-CG2 4.33Å; F302-I366 HydrophobicContact CD2-CG2 4.41Å; I304-I366 HydrophobicContact CD1-CD1 3.79Å; W316-I366 HydrophobicContact CH2-CB 3.83Å; W316-I366 HydrophobicContact CH2-CG1 3.5Å; W316-I366 HydrophobicContact CH2-CG2 4.24Å; W316-I366 HydrophobicContact CZ2-CG1 4.48Å; W316-I366 HydrophobicContact CZ3-CB 3.97Å; W316-I366 HydrophobicContact CZ3-CG1 3.71Å; L349-I366 HydrophobicContact CB-CB 4.36Å; L349-I366 HydrophobicContact CB-CG2 4.28Å; L349-I366 WeakPolarHBondContact CB-O 3.49Å; L349-I366 HydrophobicContact CD2-CB 4.47Å; L349-I366 HydrophobicContact CD2-CG2 3.87Å; L349-I366 PolarHBondContact N-O 2.96Å; G350-I366 PolarHBondContact O-N 3.27Å; L352-I366 HydrophobicContact CB-CG1 4.39Å; F364-I366 HydrophobicContact CD2-CD1 3.94Å; F364-I366 HydrophobicContact CE2-CD1 3.76Å
367	P	86.4	Confident	73.4	Confident	9 Å²	9	52.7 Å²	52.7	6%	0.058	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	153.2	176	-21.1	35.1	0	0	0	113.7	W179 H301 F302 R347 C369 M371	W179-P367 HydrophobicContact CG-CG 4.39Å; H301-P367 PolarHBondContact NE2-O 3.12Å; F302-P367 HydrophobicContact CE1-CG 4.11Å; F302-P367 HydrophobicContact CE2-CB 3.94Å; F302-P367 HydrophobicContact CE2-CG 4.05Å; F302-P367 HydrophobicContact CZ-CB 3.72Å; F302-P367 HydrophobicContact CZ-CG 3.51Å; R347-P367 CarbonylContact O-C 3.49Å; R347-P367 VanDerWaalsContact O-CA 3.25Å; R347-P367 WeakPolarHBondContact O-CA 3.48Å; P367-C369 WeakPolarHBondContact CB-O 3.27Å; P367-M371 HydrophobicContact CG-CE 4.22Å
368	T	82.3	Confident	70.7	Confident	41 Å²	41	55 Å²	55	25%	0.252	30%	0.301	S	S	.	.	S	Bend	trans	-73.7	-25.8	174.2	45.5	0	0	0	0	114.4	R237 H301 D346 R347 L349	R237-T368 VanDerWaalsContact CZ-CG2 3.45Å; R237-T368 VanDerWaalsContact NH2-CG2 3.26Å; H301-T368 PolarHBondContact CE1-O 2.89Å; D346-T368 VanDerWaalsContact O-CG2 3.23Å; D346-T368 WeakPolarHBondContact O-CG2 3.3Å; D346-T368 PolarHBondContact O-OG1 3.09Å; R347-T368 WeakPolarHBondContact CA-OG1 3.22Å; R347-T368 PolarHBondContact O-N 3.28Å; R347-T368 PolarHBondContact O-OG1 3.44Å; L349-T368 HydrophobicContact CB-CG2 4.22Å
369	C	73.4	Confident	68.4	Low	73 Å²	73	57.9 Å²	57.9	49%	0.493	32%	0.322	S	S	.	.	S	Bend	trans	-129.6	146.9	173.1	54.5	0	0	0	0	110.2	P367 M371	P367-C369 WeakPolarHBondContact CB-O 3.27Å; C369-M371 PolarHBondContact O-N 3.36Å
370	P	62.9	Low	65.8	Low	36 Å²	36	60.2 Å²	60.2	23%	0.234	34%	0.341	C	S	.	.			trans	-54.2	130.4	163.1	-20.3	32.9	0	0	0	108.3	N372	P370-N372 PolarHBondContact O-N 2.88Å
371	M	55.9	Low	63.4	Low	38 Å²	38	61.3 Å²	61.3	19%	0.187	35%	0.353	C	S	.	.			trans	-67	112.4	-178.3	-68.9	-170.4	-177.1	0	0	109.3	S176 W179 P367 C369 F373	S176-M371 VanDerWaalsContact O-SD 3.39Å; W179-M371 HydrophobicContact CB-SD 4.29Å; W179-M371 HydrophobicContact CG-CE 4.49Å; P367-M371 HydrophobicContact CG-CE 4.22Å; C369-M371 PolarHBondContact O-N 3.36Å; M371-F373 HydrophobicContact CB-CD2 4.31Å; M371-F373 HydrophobicContact CB-CE2 3.85Å; M371-F373 HydrophobicContact CB-CZ 4.29Å; M371-F373 WeakPolarHBondContact O-CD2 3.21Å; M371-F373 PolarHBondContact O-N 2.89Å
372	N	45	Very low	61.4	Low	163 Å²	163	64.8 Å²	64.8	87%	0.872	37%	0.369	S	S	*	.			trans	-65.8	92.1	178.3	-79.9	-7.9	0	0	0	110.5	P370 G374	P370-N372 PolarHBondContact O-N 2.88Å; N372-G374 PolarHBondContact O-N 3.22Å
373	F	48.7	Very low	59.7	Low	92 Å²	92	65.7 Å²	65.7	40%	0.404	37%	0.374	S	S	.	.			trans	-75.3	32.8	174.5	-74.8	-75	0	0	0	113.4	R181 M371 F375 Y385	R181-F373 HydrophobicContact CB-CD2 4.2Å; R181-F373 HydrophobicContact CB-CE2 3.99Å; R181-F373 HydrophobicContact CB-CZ 4.5Å; M371-F373 HydrophobicContact CB-CD2 4.31Å; M371-F373 HydrophobicContact CB-CE2 3.85Å; M371-F373 HydrophobicContact CB-CZ 4.29Å; M371-F373 WeakPolarHBondContact O-CD2 3.21Å; M371-F373 PolarHBondContact O-N 2.89Å; F373-F375 WeakPolarHBondContact O-CD2 3.49Å; F373-Y385 HydrophobicContact CE2-CE1 4.08Å
374	G	37.3	Very low	58.7	Low	65 Å²	65	65.8 Å²	65.8	67%	0.67	38%	0.375	S	S	*	.	S	Bend	trans	73	26.4	168.4	0	0	0	0	0	117.3	N372	N372-G374 PolarHBondContact O-N 3.22Å
375	F	37.4	Very low	58	Low	172 Å²	172	66.4 Å²	66.4	75%	0.754	38%	0.377	S	S	*	.			trans	-134.2	122.3	173.9	-74.7	-86.9	0	0	0	110.7	F373	F373-F375 WeakPolarHBondContact O-CD2 3.49Å
376	E	32.7	Very low	57.6	Low	189 Å²	189	68.8 Å²	68.8	88%	0.883	39%	0.392	S	S	*	.			trans	-86.6	-15.6	-164.7	-65.6	-179.4	136.7	0	0	115.2
377	N	34.4	Very low	57.2	Low	161 Å²	161	69.4 Å²	69.4	86%	0.861	40%	0.395	S	S	*	.	S	Bend	trans	-126	46.6	-161.5	-70	-33.4	0	0	0	115.2
378	S	36.3	Very low	57	Low	53 Å²	53	71.1 Å²	71.1	37%	0.371	41%	0.407	S	S	.	.	S	Bend	trans	-143.3	123.7	171.1	59	0	0	0	0	111.6	A380 F383	S378-A380 PolarHBondContact O-N 3.2Å; S378-F383 VanDerWaalsContact OG-CE2 3.28Å; S378-F383 WeakPolarHBondContact OG-CE2 3.38Å; S378-F383 WeakPolarHBondContact OG-CZ 3.48Å
379	S	44.4	Very low	56.8	Low	71 Å²	71	76.9 Å²	76.9	50%	0.497	43%	0.429	S	S	.	.			trans	-50.7	120	-179.1	39.3	0	0	0	0	111.8	S381 Q382	S379-S381 PolarHBondContact O-N 2.59Å; S379-Q382 PolarHBondContact O-N 3.12Å; S379-Q382 VanDerWaalsContact O-N 3.13Å
380	A	40.8	Very low	57.2	Low	49 Å²	49	79 Å²	79	41%	0.405	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-57.7	-23.9	-171.8	0	0	0	0	0	113.7	S378 Q382 F383	S378-A380 PolarHBondContact O-N 3.2Å; A380-Q382 PolarHBondContact O-N 2.9Å; A380-F383 PolarHBondContact O-N 3.48Å
381	S	46.1	Very low	58.3	Low	57 Å²	57	77.8 Å²	77.8	40%	0.399	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-52.1	-20.7	173.6	56.1	0	0	0	0	115.4	S379	S379-S381 PolarHBondContact O-N 2.59Å
382	Q	53.6	Low	60	Low	73 Å²	73	76.9 Å²	76.9	34%	0.341	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-89.4	-7.7	-176.6	-63.4	-170.5	-7	0	0	115.1	Y185 S379 A380	Y185-Q382 HydrophobicContact CE1-CB 4.44Å; S379-Q382 PolarHBondContact O-N 3.12Å; S379-Q382 VanDerWaalsContact O-N 3.13Å; A380-Q382 PolarHBondContact O-N 2.9Å
383	F	61.4	Low	62.4	Low	35 Å²	35	69.1 Å²	69.1	15%	0.154	38%	0.381	C	S	.	.			trans	-107.7	120.1	-172.3	-54	-58.2	0	0	0	113.6	R181 S378 A380 Y385	R181-F383 VanDerWaalsContact NH2-CD1 3.29Å; R181-F383 VanDerWaalsContact NH2-CE2 3.27Å; S378-F383 VanDerWaalsContact OG-CE2 3.28Å; S378-F383 WeakPolarHBondContact OG-CE2 3.38Å; S378-F383 WeakPolarHBondContact OG-CZ 3.48Å; A380-F383 PolarHBondContact O-N 3.48Å; F383-Y385 HydrophobicContact CB-CE2 4.5Å
384	A	75.3	Confident	64.7	Low	2 Å²	2	65.6 Å²	65.6	2%	0.017	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	146.3	161.8	0	0	0	0	0	111.3	S182 I186 I303	S182-A384 WeakPolarHBondContact CB-O 3.32Å; S182-A384 PolarHBondContact N-O 3.03Å; I186-A384 HydrophobicContact CB-CB 4.3Å; I186-A384 HydrophobicContact CD1-CB 4.2Å; I186-A384 HydrophobicContact CG1-CB 3.7Å; I186-A384 HydrophobicContact CG2-CB 4.13Å; I303-A384 HydrophobicContact CB-CB 4.45Å; I303-A384 HydrophobicContact CG2-CB 4.24Å; I303-A384 CarbonylContact O-C 3.57Å; I303-A384 WeakPolarHBondContact O-CA 3.06Å
385	Y	80.8	Confident	67.5	Low	12 Å²	12	62.5 Å²	62.5	5%	0.047	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	143.7	173.7	-56.5	-98.6	0	0	0	109.1	W179 R181 F302 I303 I304 S305 F373 F383	W179-Y385 HydrophobicContact CB-CD1 4.43Å; W179-Y385 HydrophobicContact CE3-CG 4.47Å; R181-Y385 HydrophobicContact CB-CD1 4.43Å; F302-Y385 AromaticContact CD1-CD2 3.45Å; F302-Y385 HydrophobicContact CD1-CD2 3.45Å; F302-Y385 VanDerWaalsContact CD1-CD2 3.45Å; F302-Y385 AromaticContact CD1-CE2 3.61Å; F302-Y385 HydrophobicContact CD1-CE2 3.61Å; F302-Y385 AromaticContact CD1-CG 3.99Å; F302-Y385 HydrophobicContact CD1-CG 3.99Å; F302-Y385 HydrophobicContact CE1-CD1 4.26Å; F302-Y385 AromaticContact CE1-CD2 3.88Å; F302-Y385 HydrophobicContact CE1-CD2 3.88Å; F302-Y385 HydrophobicContact CE1-CE1 4.19Å; F302-Y385 AromaticContact CE1-CE2 3.82Å; F302-Y385 HydrophobicContact CE1-CE2 3.82Å; F302-Y385 HydrophobicContact CE1-CG 4.1Å; F302-Y385 AromaticContact CE1-CZ 3.97Å; F302-Y385 HydrophobicContact CG-CD2 4.47Å; F302-Y385 HydrophobicContact CG-CE2 4.46Å; I303-Y385 PolarHBondContact O-N 3.05Å; I304-Y385 CarbonylContact C-O 3.5Å; I304-Y385 WeakPolarHBondContact CA-O 3.35Å; S305-Y385 PolarHBondContact N-O 3.28Å; S305-Y385 PolarHBondContact OG-O 3.47Å; F373-Y385 HydrophobicContact CE2-CE1 4.08Å; F383-Y385 HydrophobicContact CB-CE2 4.5Å
386	T	82.9	Confident	70.3	Confident	53 Å²	53	54.3 Å²	54.3	33%	0.325	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.5	173.3	-50.6	0	0	0	0	108.8	V180 S305	V180-T386 PolarHBondContact N-O 3.3Å; V180-T386 PolarHBondContact O-N 3.13Å; S305-T386 PolarHBondContact OG-OG1 3.03Å
387	L	84.1	Confident	73.2	Confident	13 Å²	13	47 Å²	47	7%	0.068	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	126.3	176.4	-79.7	157.3	0	0	0	110.3	W179 I304 W308 F364 C391 Y392	W179-L387 HydrophobicContact CD2-CD2 3.93Å; W179-L387 HydrophobicContact CD2-CG 4.48Å; W179-L387 HydrophobicContact CE3-CD2 3.87Å; W179-L387 HydrophobicContact CE3-CG 3.92Å; W179-L387 HydrophobicContact CH2-CD1 3.72Å; W179-L387 HydrophobicContact CH2-CD2 3.77Å; W179-L387 HydrophobicContact CH2-CG 3.74Å; W179-L387 HydrophobicContact CZ2-CD1 4.38Å; W179-L387 HydrophobicContact CZ2-CD2 3.77Å; W179-L387 HydrophobicContact CZ2-CG 4.28Å; W179-L387 HydrophobicContact CZ3-CD1 3.92Å; W179-L387 HydrophobicContact CZ3-CD2 3.81Å; W179-L387 HydrophobicContact CZ3-CG 3.53Å; I304-L387 HydrophobicContact CG2-CD1 4.17Å; W308-L387 HydrophobicContact CH2-CD1 3.88Å; W308-L387 HydrophobicContact CZ2-CD1 4.45Å; F364-L387 HydrophobicContact CB-CD1 4.09Å; F364-L387 HydrophobicContact CB-CD2 4.49Å; F364-L387 HydrophobicContact CD1-CD1 3.81Å; F364-L387 HydrophobicContact CD2-CD1 3.76Å; F364-L387 HydrophobicContact CE1-CD1 4.13Å; F364-L387 HydrophobicContact CE2-CD1 4.08Å; F364-L387 HydrophobicContact CG-CD1 3.61Å; F364-L387 HydrophobicContact CZ-CD1 4.25Å; L387-C391 HydrophobicContact CD2-CB 3.84Å; L387-Y392 HydrophobicContact CB-CD1 4.01Å; L387-Y392 HydrophobicContact CB-CE1 4.34Å
388	S	82.2	Confident	75.9	Confident	45 Å²	45	41.4 Å²	41.4	32%	0.315	24%	0.241	S	C	.	.			trans	-66.3	153.3	168.4	97.6	0	0	0	0	110.1	N390 C391 Y392	S388-N390 PolarHBondContact O-N 3.49Å; S388-C391 WeakPolarHBondContact O-CB 3.13Å; S388-C391 PolarHBondContact O-N 2.78Å; S388-C391 PolarHBondContact OG-SG 3Å; S388-Y392 WeakPolarHBondContact O-CE1 2.93Å
389	K	78	Confident	78.3	Confident	163 Å²	163	41.5 Å²	41.5	71%	0.709	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-21.7	-176.9	-67.4	-170.9	176.8	-175.7	0	114.4
390	N	80.8	Confident	80	Confident	116 Å²	116	47.3 Å²	47.3	62%	0.62	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	9.4	-178.8	-60.6	-11.9	0	0	0	113	A171 S388	A171-N390 WeakPolarHBondContact CB-O 3.22Å; S388-N390 PolarHBondContact O-N 3.49Å
391	C	86.8	Confident	82	Confident	11 Å²	11	50.4 Å²	50.4	7%	0.074	26%	0.262	C	S	.	.	S	Bend	trans	-116.3	11.3	-172.4	-59.6	0	0	0	0	113.6	A178 L387 S388	A178-C391 WeakPolarHBondContact CA-SG 3.3Å; A178-C391 HydrophobicContact CB-CB 3.93Å; A178-C391 WeakPolarHBondContact CB-SG 3.43Å; A178-C391 PolarHBondContact O-SG 2.97Å; L387-C391 HydrophobicContact CD2-CB 3.84Å; S388-C391 WeakPolarHBondContact O-CB 3.13Å; S388-C391 PolarHBondContact O-N 2.78Å; S388-C391 PolarHBondContact OG-SG 3Å
392	Y	92	Very high	83.9	Confident	19 Å²	19	47.8 Å²	47.8	8%	0.075	24%	0.243	C	C	.	.	S	Bend	trans	-141.4	150.6	169.6	53.6	-93.7	0	0	0	109.7	W308 R362 I363 L387 S388 T394 N449	W308-Y392 HydrophobicContact CZ2-CD1 4.36Å; W308-Y392 HydrophobicContact CZ2-CE1 4.14Å; R362-Y392 HydrophobicContact CB-CD2 4.18Å; R362-Y392 HydrophobicContact CG-CD2 3.78Å; R362-Y392 HydrophobicContact CG-CE2 4.01Å; I363-Y392 CarbonylContact O-C 3.57Å; I363-Y392 VanDerWaalsContact O-CA 3.24Å; I363-Y392 WeakPolarHBondContact O-CA 3.3Å; I363-Y392 WeakPolarHBondContact O-CB 3.31Å; L387-Y392 HydrophobicContact CB-CD1 4.01Å; L387-Y392 HydrophobicContact CB-CE1 4.34Å; S388-Y392 WeakPolarHBondContact O-CE1 2.93Å; Y392-T394 WeakPolarHBondContact CD2-OG1 3.34Å; Y392-T394 VanDerWaalsContact CE2-OG1 3.26Å; Y392-T394 WeakPolarHBondContact CE2-OG1 3.2Å; Y392-N449 VanDerWaalsContact C-ND2 3.27Å; Y392-N449 PolarHBondContact O-ND2 2.74Å
393	L	94.9	Very high	85.6	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	125.4	168.9	-178.7	72.6	0	0	0	108.1	F154 L172 R362 I363 L395 Y444 N449 L451	F154-L393 HydrophobicContact CE1-CD2 4.14Å; F154-L393 HydrophobicContact CZ-CD2 4.45Å; L172-L393 HydrophobicContact CD1-CB 4.34Å; L172-L393 HydrophobicContact CD1-CD2 4.43Å; L172-L393 HydrophobicContact CD2-CB 4.26Å; R362-L393 WeakPolarHBondContact CA-O 3.37Å; I363-L393 HydrophobicContact CB-CB 4.33Å; I363-L393 PolarHBondContact N-O 3.19Å; I363-L393 PolarHBondContact O-N 3.1Å; L393-L395 HydrophobicContact CB-CD1 4.43Å; L393-L395 HydrophobicContact CD2-CD1 3.84Å; L393-L395 HydrophobicContact CG-CD1 3.73Å; L393-Y444 HydrophobicContact CD1-CD2 4.22Å; L393-Y444 HydrophobicContact CD1-CE2 3.66Å; L393-N449 WeakPolarHBondContact CA-ND2 3.41Å; L393-N449 WeakPolarHBondContact CA-O 3.46Å; L393-N449 PolarHBondContact N-ND2 2.93Å; L393-L451 HydrophobicContact CD1-CB 4.31Å; L393-L451 HydrophobicContact CD2-CD2 4.4Å; L393-L451 HydrophobicContact CG-CB 4.49Å
394	T	95.8	Very high	86.9	Confident	17 Å²	17	50.6 Å²	50.6	10%	0.104	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	129.2	-179.4	-54.5	0	0	0	0	110.5	F360 I361 Y392 N449 H450 L451	F360-T394 HydrophobicContact CB-CG2 4.19Å; F360-T394 HydrophobicContact CD1-CG2 3.52Å; F360-T394 HydrophobicContact CE1-CG2 4.24Å; F360-T394 HydrophobicContact CG-CG2 4.16Å; I361-T394 CarbonylContact O-C 3.52Å; Y392-T394 WeakPolarHBondContact CD2-OG1 3.34Å; Y392-T394 VanDerWaalsContact CE2-OG1 3.26Å; Y392-T394 WeakPolarHBondContact CE2-OG1 3.2Å; T394-N449 PolarHBondContact N-O 2.7Å; T394-H450 CarbonylContact O-C 3.55Å; T394-H450 VanDerWaalsContact O-CA 3.28Å; T394-H450 WeakPolarHBondContact O-CA 3.13Å; T394-H450 PolarHBondContact O-CD2 2.89Å; T394-L451 PolarHBondContact O-N 2.85Å
395	L	97.1	Very high	87.6	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	120.2	-179.1	-82	69.1	0	0	0	110.1	I361 I363 L393 L422 Y434 L436 L451	I361-L395 HydrophobicContact CB-CB 3.81Å; I361-L395 HydrophobicContact CG2-CB 4Å; I361-L395 HydrophobicContact CG2-CD2 4.11Å; I361-L395 PolarHBondContact N-O 2.95Å; I361-L395 PolarHBondContact O-N 3.29Å; I363-L395 HydrophobicContact CD1-CD1 3.98Å; I363-L395 HydrophobicContact CD1-CD2 4.08Å; I363-L395 HydrophobicContact CG1-CD1 4.1Å; L393-L395 HydrophobicContact CB-CD1 4.43Å; L393-L395 HydrophobicContact CD2-CD1 3.84Å; L393-L395 HydrophobicContact CG-CD1 3.73Å; L395-L422 HydrophobicContact CD2-CD2 3.52Å; L395-Y434 HydrophobicContact CB-CD1 4.07Å; L395-Y434 HydrophobicContact CB-CE1 3.76Å; L395-Y434 HydrophobicContact CD2-CD1 3.7Å; L395-Y434 HydrophobicContact CD2-CD2 4.25Å; L395-Y434 HydrophobicContact CD2-CE1 4.23Å; L395-Y434 HydrophobicContact CD2-CG 3.71Å; L395-Y434 HydrophobicContact CG-CD1 3.77Å; L395-Y434 HydrophobicContact CG-CE1 4Å; L395-Y434 HydrophobicContact CG-CG 4.3Å; L395-L436 HydrophobicContact CD2-CD2 3.97Å; L395-L451 WeakPolarHBondContact CA-O 3.09Å; L395-L451 HydrophobicContact CD1-CB 4.28Å; L395-L451 HydrophobicContact CG-CB 4.21Å; L395-L451 HydrophobicContact CG-CD2 4.33Å
396	S	95.7	Very high	88.2	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	-169.4	162.5	175.7	57.5	0	0	0	0	110.2	F360 S398 Y434 H450 L451 A452	F360-S396 WeakPolarHBondContact CD1-OG 3.4Å; F360-S396 WeakPolarHBondContact CE1-OG 3.36Å; S396-S398 PolarHBondContact O-N 2.9Å; S396-S398 PolarHBondContact OG-O 3.21Å; S396-Y434 WeakPolarHBondContact CA-OH 3.42Å; S396-H450 PolarHBondContact O-CE1 3.1Å; S396-H450 PolarHBondContact O-NE2 3.13Å; S396-H450 PolarHBondContact OG-NE2 3.05Å; S396-L451 PolarHBondContact N-O 2.92Å; S396-A452 WeakPolarHBondContact O-CA 3.05Å
397	P	93.8	Very high	88.7	Confident	36 Å²	36	54.3 Å²	54.3	23%	0.234	27%	0.269	C	S	.	.	S	Bend	trans	-66.4	-13.8	174.9	-23.8	37.6	0	0	0	115.1	N402 P403 V406 P453 M456	P397-N402 VanDerWaalsContact CD-OD1 3.29Å; P397-N402 WeakPolarHBondContact CD-OD1 3.46Å; P397-P403 HydrophobicContact CB-CG 4.31Å; P397-V406 HydrophobicContact CG-CG2 4.07Å; P397-P453 HydrophobicContact CB-CG 4.43Å; P397-P453 HydrophobicContact CG-CG 4.23Å; P397-M456 HydrophobicContact CB-SD 4.23Å; P397-M456 HydrophobicContact CG-CE 3.8Å; P397-M456 HydrophobicContact CG-SD 3.55Å; P397-M456 VanDerWaalsContact CG-SD 3.55Å
398	S	90.8	Very high	89.2	Confident	43 Å²	43	54 Å²	54	30%	0.301	27%	0.267	S	S	.	.			trans	-146.9	137.5	179.9	140.5	0	0	0	0	111.2	S396 K400 E401	S396-S398 PolarHBondContact O-N 2.9Å; S396-S398 PolarHBondContact OG-O 3.21Å; S398-K400 PolarHBondContact O-N 3.25Å; S398-E401 WeakPolarHBondContact CB-O 3.36Å; S398-E401 PolarHBondContact OG-N 2.84Å; S398-E401 PolarHBondContact OG-O 3.45Å
399	V	86.1	Confident	89.8	Confident	55 Å²	55	51.9 Å²	51.9	33%	0.333	25%	0.252	S	S	.	.	S	Bend	trans	-62.1	-40.5	-177.6	-179.7	0	0	0	0	112.8	Y448 H450	V399-Y448 HydrophobicContact CG1-CD1 3.89Å; V399-Y448 HydrophobicContact CG1-CD2 3.5Å; V399-Y448 VanDerWaalsContact CG1-CD2 3.5Å; V399-Y448 HydrophobicContact CG1-CE1 4.44Å; V399-Y448 HydrophobicContact CG1-CE2 4.09Å; V399-Y448 HydrophobicContact CG1-CG 3.37Å; V399-H450 HydrophobicContact CG1-CB 4.49Å; V399-H450 HydrophobicContact CG2-CB 4.24Å; V399-H450 WeakPolarHBondContact CG2-ND1 3.05Å
400	K	81	Confident	90.6	Very high	194 Å²	194	44.8 Å²	44.8	84%	0.843	22%	0.222	S	C	*	.	S	Bend	trans	-83	-44.4	-169.7	-68.4	-176.1	178.7	179.6	0	112.6	S398	S398-K400 PolarHBondContact O-N 3.25Å
401	E	83.5	Confident	91.3	Very high	114 Å²	114	39.8 Å²	39.8	53%	0.533	20%	0.196	S	C	.	.	S	Bend	trans	-153.8	140	-174.3	-173.6	171.9	-170.7	0	0	108.8	S398 H404	S398-E401 WeakPolarHBondContact CB-O 3.36Å; S398-E401 PolarHBondContact OG-N 2.84Å; S398-E401 PolarHBondContact OG-O 3.45Å; E401-H404 IonicContact OE1-CE1 3.33Å; E401-H404 PolarHBondContact OE1-CE1 2.92Å; E401-H404 VanDerWaalsContact OE1-CE1 3.29Å; E401-H404 IonicContact OE1-NE2 2.85Å
402	N	84.4	Confident	91.8	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	20%	0.196	C	C	.	.			trans	-73.8	123.3	173.8	-177.7	50.8	0	0	0	109.8	M272 G359 F360 P397 H404 G407	M272-N402 HydrophobicContact CE-CB 4.46Å; M272-N402 WeakPolarHBondContact CE-ND2 3.41Å; M272-N402 HydrophobicContact SD-CB 4.39Å; G359-N402 WeakPolarHBondContact CA-ND2 3.47Å; G359-N402 PolarHBondContact O-ND2 2.96Å; G359-N402 VanDerWaalsContact O-ND2 3.13Å; F360-N402 HydrophobicContact CE1-CB 4.47Å; F360-N402 HydrophobicContact CE2-CB 4.41Å; F360-N402 HydrophobicContact CZ-CB 4.34Å; P397-N402 VanDerWaalsContact CD-OD1 3.29Å; P397-N402 WeakPolarHBondContact CD-OD1 3.46Å; N402-H404 PolarHBondContact O-N 3.07Å; N402-G407 PolarHBondContact ND2-O 2.87Å
403	P	89.8	Confident	92	Very high	29 Å²	29	40.6 Å²	40.6	19%	0.188	20%	0.2	C	C	.	.			trans	-63.3	131.2	-171.4	-20.9	31.4	0	0	0	112.7	P397 W405 V406	P397-P403 HydrophobicContact CB-CG 4.31Å; P403-W405 HydrophobicContact CB-CD2 4.3Å; P403-W405 HydrophobicContact CB-CG 4.25Å; P403-W405 HydrophobicContact CB-CZ2 4.21Å; P403-W405 HydrophobicContact CG-CZ2 4.29Å; P403-W405 PolarHBondContact O-N 2.83Å; P403-V406 HydrophobicContact CB-CG2 4.08Å; P403-V406 HydrophobicContact CG-CG2 4.28Å; P403-V406 VanDerWaalsContact O-CB 3.26Å; P403-V406 WeakPolarHBondContact O-CB 3.28Å; P403-V406 PolarHBondContact O-N 2.66Å
404	H	88.5	Confident	92	Very high	139 Å²	139	41.3 Å²	41.3	64%	0.644	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.4	-176.4	-61.1	-26.5	0	0	0	114.5	E401 N402 V406 G407	E401-H404 IonicContact OE1-CE1 3.33Å; E401-H404 PolarHBondContact OE1-CE1 2.92Å; E401-H404 VanDerWaalsContact OE1-CE1 3.29Å; E401-H404 IonicContact OE1-NE2 2.85Å; N402-H404 PolarHBondContact O-N 3.07Å; H404-V406 PolarHBondContact O-N 2.93Å; H404-G407 PolarHBondContact O-N 2.79Å
405	W	90.8	Very high	91.8	Very high	137 Å²	137	41.9 Å²	41.9	52%	0.519	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-18.9	177	61.4	-102.9	0	0	0	113.8	P403 T428 Y430 M456	P403-W405 HydrophobicContact CB-CD2 4.3Å; P403-W405 HydrophobicContact CB-CG 4.25Å; P403-W405 HydrophobicContact CB-CZ2 4.21Å; P403-W405 HydrophobicContact CG-CZ2 4.29Å; P403-W405 PolarHBondContact O-N 2.83Å; W405-T428 PolarHBondContact O-OG1 2.9Å; W405-T428 VanDerWaalsContact O-OG1 3.09Å; W405-Y430 HydrophobicContact CE3-CD2 4.45Å; W405-Y430 HydrophobicContact CE3-CE1 4.19Å; W405-Y430 AromaticContact CE3-CE2 3.85Å; W405-Y430 HydrophobicContact CE3-CE2 3.85Å; W405-Y430 AromaticContact CE3-CZ 3.69Å; W405-Y430 HydrophobicContact CZ3-CD1 4.01Å; W405-Y430 HydrophobicContact CZ3-CD2 4.43Å; W405-Y430 AromaticContact CZ3-CE1 3.58Å; W405-Y430 HydrophobicContact CZ3-CE1 3.58Å; W405-Y430 HydrophobicContact CZ3-CE2 4.04Å; W405-Y430 HydrophobicContact CZ3-CG 4.39Å; W405-Y430 AromaticContact CZ3-CZ 3.59Å; W405-M456 HydrophobicContact CH2-CE 4.45Å; W405-M456 HydrophobicContact CH2-SD 3.85Å; W405-M456 HydrophobicContact CZ3-CE 4.3Å; W405-M456 HydrophobicContact CZ3-SD 4.17Å
406	V	92.5	Very high	91.4	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-38	172.8	-179.9	0	0	0	0	110.3	P397 P403 H404 Y426 T428 M456	P397-V406 HydrophobicContact CG-CG2 4.07Å; P403-V406 HydrophobicContact CB-CG2 4.08Å; P403-V406 HydrophobicContact CG-CG2 4.28Å; P403-V406 VanDerWaalsContact O-CB 3.26Å; P403-V406 WeakPolarHBondContact O-CB 3.28Å; P403-V406 PolarHBondContact O-N 2.66Å; H404-V406 PolarHBondContact O-N 2.93Å; V406-Y426 HydrophobicContact CG1-CD1 3.31Å; V406-Y426 HydrophobicContact CG1-CD2 4.11Å; V406-Y426 HydrophobicContact CG1-CE1 3.53Å; V406-Y426 HydrophobicContact CG1-CE2 4.28Å; V406-Y426 HydrophobicContact CG1-CG 3.62Å; V406-Y426 WeakPolarHBondContact O-CB 3.32Å; V406-T428 VanDerWaalsContact C-OG1 3.27Å; V406-T428 PolarHBondContact O-OG1 2.85Å; V406-M456 HydrophobicContact CB-CE 4.17Å; V406-M456 HydrophobicContact CG1-CE 3.42Å; V406-M456 VanDerWaalsContact CG1-CE 3.42Å; V406-M456 HydrophobicContact CG2-CE 3.7Å; V406-M456 HydrophobicContact CG2-SD 4.44Å
407	G	93.2	Very high	91	Very high	8 Å²	8	46.8 Å²	46.8	8%	0.082	23%	0.226	C	C	.	.			trans	68.6	-173	-163.9	0	0	0	0	0	112.1	M272 N402 H404 T427	M272-G407 VanDerWaalsContact CE-C 3.49Å; M272-G407 WeakPolarHBondContact CE-O 3.49Å; N402-G407 PolarHBondContact ND2-O 2.87Å; H404-G407 PolarHBondContact O-N 2.79Å; G407-T427 WeakPolarHBondContact CA-OG1 3.4Å
408	W	94.6	Very high	90.9	Very high	7 Å²	7	47.1 Å²	47.1	3%	0.027	22%	0.223	C	C	.	.			trans	-89	152.2	179.2	48.6	-95.4	0	0	0	112.8	T266 L267 Y268 D270 M272 T312 Q357 T410 T427	T266-W408 HydrophobicContact CG2-CH2 3.75Å; T266-W408 HydrophobicContact CG2-CZ2 3.86Å; L267-W408 WeakPolarHBondContact O-CZ2 3.29Å; Y268-W408 AromaticContact CD1-CH2 3.71Å; Y268-W408 HydrophobicContact CD1-CH2 3.71Å; Y268-W408 HydrophobicContact CD1-CZ2 4.37Å; Y268-W408 HydrophobicContact CD1-CZ3 4.33Å; Y268-W408 HydrophobicContact CE1-CH2 4.22Å; D270-W408 PolarHBondContact O-NE1 2.73Å; M272-W408 HydrophobicContact CG-CB 4.3Å; T312-W408 HydrophobicContact CG2-CE3 3.75Å; T312-W408 HydrophobicContact CG2-CZ3 3.65Å; Q357-W408 HydrophobicContact CG-CD2 4.47Å; Q357-W408 HydrophobicContact CG-CG 4.44Å; W408-T410 HydrophobicContact CE3-CG2 4Å; W408-T410 HydrophobicContact CH2-CG2 4.32Å; W408-T410 HydrophobicContact CZ3-CG2 3.67Å; W408-T427 HydrophobicContact CD2-CG2 3.66Å; W408-T427 HydrophobicContact CE3-CG2 3.92Å; W408-T427 HydrophobicContact CG-CG2 4.34Å; W408-T427 HydrophobicContact CH2-CG2 3.77Å; W408-T427 HydrophobicContact CZ2-CG2 3.48Å; W408-T427 VanDerWaalsContact CZ2-CG2 3.48Å; W408-T427 HydrophobicContact CZ3-CG2 3.98Å; W408-T427 PolarHBondContact N-OG1 3Å; W408-T427 PolarHBondContact O-N 3.18Å; W408-T427 PolarHBondContact O-OG1 2.85Å
409	P	96.6	Very high	91	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	130.8	-178.9	28.7	-36.7	0	0	0	111.6	T312 A355 C356 I361 V424 G425 Y426	T312-P409 WeakPolarHBondContact CB-O 3.21Å; T312-P409 PolarHBondContact OG1-O 3.19Å; A355-P409 HydrophobicContact CB-CB 4.03Å; A355-P409 HydrophobicContact CB-CG 3.95Å; C356-P409 WeakPolarHBondContact O-CD 3.41Å; I361-P409 HydrophobicContact CD1-CB 4.03Å; I361-P409 HydrophobicContact CD1-CG 4.44Å; I361-P409 HydrophobicContact CG1-CB 4.14Å; I361-P409 HydrophobicContact CG1-CG 4.03Å; P409-V424 HydrophobicContact CB-CG1 3.75Å; P409-G425 CarbonylContact C-O 3.27Å; P409-G425 VanDerWaalsContact CA-O 3.31Å; P409-G425 WeakPolarHBondContact CA-O 3.19Å; P409-Y426 HydrophobicContact CB-CD1 4.05Å; P409-Y426 HydrophobicContact CB-CE1 3.88Å; P409-Y426 HydrophobicContact CG-CE1 4.49Å
410	T	94.7	Very high	91.3	Very high	13 Å²	13	44.6 Å²	44.6	8%	0.08	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-28.5	-173.7	51.5	0	0	0	0	113.8	Y268 W408 G425 T427 I464	Y268-T410 HydrophobicContact CD1-CG2 3.8Å; Y268-T410 HydrophobicContact CE1-CG2 3.7Å; W408-T410 HydrophobicContact CE3-CG2 4Å; W408-T410 HydrophobicContact CH2-CG2 4.32Å; W408-T410 HydrophobicContact CZ3-CG2 3.67Å; T410-G425 PolarHBondContact N-O 2.93Å; T410-G425 VanDerWaalsContact OG1-C 3.32Å; T410-G425 PolarHBondContact OG1-O 2.96Å; T410-T427 HydrophobicContact CG2-CG2 3.63Å; T410-I464 WeakPolarHBondContact CB-O 3.26Å; T410-I464 PolarHBondContact OG1-O 2.91Å
411	C	94.9	Very high	92	Very high	11 Å²	11	38.1 Å²	38.1	7%	0.074	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	157.4	176.3	59.5	0	0	0	0	111.4	G425	C411-G425 PolarHBondContact O-N 2.92Å
412	T	96.8	Very high	92.6	Very high	12 Å²	12	32.7 Å²	32.7	7%	0.074	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	149.3	-179.7	54.4	0	0	0	0	110	D313 A355 I361 F423	D313-T412 PolarHBondContact OD2-N 2.87Å; D313-T412 PolarHBondContact OD2-OG1 2.91Å; A355-T412 HydrophobicContact CB-CG2 4.01Å; I361-T412 HydrophobicContact CD1-CG2 4.07Å; T412-F423 CarbonylContact C-O 3.44Å; T412-F423 WeakPolarHBondContact CA-O 3.45Å
413	H	96.3	Very high	93.2	Very high	35 Å²	35	32.8 Å²	32.8	16%	0.162	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	133.6	172.8	-167.6	83.6	0	0	0	111.6	F423 L467 L469	H413-F423 PolarHBondContact N-O 2.88Å; H413-F423 PolarHBondContact O-N 3.48Å; H413-L467 HydrophobicContact CB-CB 3.78Å; H413-L467 PolarHBondContact ND1-O 3.13Å; H413-L469 PolarHBondContact CD2-N 3.39Å; H413-L469 PolarHBondContact NE2-N 2.93Å
414	I	95.5	Very high	93.6	Very high	17 Å²	17	31.4 Å²	31.4	9%	0.087	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	150.4	-179.8	-176.6	165.3	0	0	0	107.9	I317 P318 I353 L422 L436	I317-I414 HydrophobicContact CG1-CD1 4.38Å; P318-I414 HydrophobicContact CG-CG1 4.24Å; P318-I414 HydrophobicContact CG-CG2 4.26Å; I353-I414 HydrophobicContact CD1-CD1 4.11Å; I353-I414 HydrophobicContact CD1-CG2 4.17Å; I414-L422 HydrophobicContact CB-CD1 4.16Å; I414-L436 HydrophobicContact CD1-CD1 3.85Å
415	R	92.1	Very high	93.9	Very high	28 Å²	28	24.8 Å²	24.8	11%	0.106	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	150.3	178.7	-86.8	-164.7	178.5	-85.8	-4.3	111.6	P318 E417 F418 P419 L469 W519	P318-R415 VanDerWaalsContact CG-C 3.42Å; R415-E417 WeakPolarHBondContact CB-OE2 3.41Å; R415-E417 WeakPolarHBondContact CD-OE2 3.42Å; R415-E417 IonicContact NH1-OE2 3.66Å; R415-E417 PolarHBondContact O-N 3.03Å; R415-F418 CarbonylContact O-C 3.52Å; R415-F418 PolarHBondContact O-N 3.15Å; R415-F418 VanDerWaalsContact O-N 3.11Å; R415-P419 WeakPolarHBondContact O-CA 3.33Å; R415-L469 HydrophobicContact CB-CD2 4.31Å; R415-L469 HydrophobicContact CG-CB 4.35Å; R415-L469 PolarHBondContact NE-O 2.99Å; R415-L469 PolarHBondContact NH2-O 3.38Å; R415-W519 PolarHBondContact NH2-O 3.35Å
416	R	88.7	Confident	94.2	Very high	44 Å²	44	18.3 Å²	18.3	17%	0.166	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-28.6	175.8	68.4	-173.3	-169.9	179.4	-8.8	112.4	M146 P318 V319 F418 D588	M146-R416 HydrophobicContact CE-CB 4.32Å; M146-R416 HydrophobicContact CE-CG 4.2Å; M146-R416 HydrophobicContact SD-CB 3.52Å; M146-R416 VanDerWaalsContact SD-CB 3.52Å; M146-R416 VanDerWaalsContact SD-CD 3.56Å; M146-R416 HydrophobicContact SD-CG 3.45Å; M146-R416 WeakPolarHBondContact SD-CG 3.46Å; P318-R416 HydrophobicContact CB-CB 4.05Å; P318-R416 HydrophobicContact CG-CB 4.14Å; P318-R416 VanDerWaalsContact CG-N 3.34Å; P318-R416 WeakPolarHBondContact O-CB 3.39Å; V319-R416 HydrophobicContact CG1-CB 4.44Å; R416-F418 VanDerWaalsContact C-N 3.26Å; R416-F418 PolarHBondContact O-N 3.44Å; R416-D588 IonicContact CZ-OD2 3.29Å; R416-D588 IonicContact NE-OD2 2.88Å; R416-D588 IonicContact NH1-OD2 2.66Å; R416-D588 PolarHBondContact NH1-OD2 3.25Å; R416-D588 IonicContact NH2-OD2 3.19Å; R416-D588 PolarHBondContact NH2-OD2 3.14Å
417	E	86.8	Confident	94.3	Very high	60 Å²	60	18.9 Å²	18.9	28%	0.28	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-21.2	173.9	-59.7	79	-163.5	0	0	112.7	R415	R415-E417 WeakPolarHBondContact CB-OE2 3.41Å; R415-E417 WeakPolarHBondContact CD-OE2 3.42Å; R415-E417 IonicContact NH1-OE2 3.66Å; R415-E417 PolarHBondContact O-N 3.03Å
418	F	91.6	Very high	94.2	Very high	42 Å²	42	20.2 Å²	20.2	18%	0.184	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	64.2	-178.9	-52.6	-69.1	0	0	0	110.6	R415 R416 D420 R421 L469 H470 P471 G474	R415-F418 CarbonylContact O-C 3.52Å; R415-F418 PolarHBondContact O-N 3.15Å; R415-F418 VanDerWaalsContact O-N 3.11Å; R416-F418 VanDerWaalsContact C-N 3.26Å; R416-F418 PolarHBondContact O-N 3.44Å; F418-D420 PolarHBondContact O-N 3.11Å; F418-D420 VanDerWaalsContact O-N 3.17Å; F418-R421 HydrophobicContact CB-CB 4.09Å; F418-R421 HydrophobicContact CB-CG 3.98Å; F418-R421 PolarHBondContact O-N 3.45Å; F418-L469 HydrophobicContact CB-CD2 4.16Å; F418-L469 HydrophobicContact CD2-CD2 3.76Å; F418-L469 HydrophobicContact CD2-CG 4.46Å; F418-L469 HydrophobicContact CG-CD2 4.31Å; F418-H470 WeakPolarHBondContact CE2-O 3.4Å; F418-P471 VanDerWaalsContact CE2-O 3.25Å; F418-P471 WeakPolarHBondContact CE2-O 3.37Å; F418-G474 VanDerWaalsContact CE2-N 3.25Å
419	P	92.3	Very high	94.1	Very high	10 Å²	10	19.9 Å²	19.9	7%	0.065	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	-9.1	-169.1	34	-39	0	0	0	113.3	T150 V319 R415	T150-P419 HydrophobicContact CG2-CG 3.62Å; V319-P419 HydrophobicContact CG1-CB 3.86Å; V319-P419 HydrophobicContact CG1-CG 4.25Å; V319-P419 HydrophobicContact CG2-CB 3.82Å; R415-P419 WeakPolarHBondContact O-CA 3.33Å
420	D	93.1	Very high	94	Very high	36 Å²	36	22.6 Å²	22.6	19%	0.193	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-20.3	168.7	66.8	-56.4	0	0	0	112.5	F418 Y434 N435 L436 S437	F418-D420 PolarHBondContact O-N 3.11Å; F418-D420 VanDerWaalsContact O-N 3.17Å; D420-Y434 VanDerWaalsContact O-O 3.13Å; D420-N435 CarbonylContact O-C 3.58Å; D420-N435 WeakPolarHBondContact O-CA 3.39Å; D420-L436 PolarHBondContact O-N 2.92Å; D420-S437 WeakPolarHBondContact CB-OG 3.33Å
421	R	94.5	Very high	94	Very high	58 Å²	58	22.2 Å²	22.2	22%	0.219	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	94.5	-169.3	-54.8	-168.9	-176.7	-145.3	-7.4	112.7	F418 F423 Y433 G474	F418-R421 HydrophobicContact CB-CB 4.09Å; F418-R421 HydrophobicContact CB-CG 3.98Å; F418-R421 PolarHBondContact O-N 3.45Å; R421-F423 HydrophobicContact CB-CE2 3.84Å; R421-F423 HydrophobicContact CB-CZ 4.31Å; R421-Y433 HydrophobicContact CB-CE2 3.88Å; R421-Y433 HydrophobicContact CG-CE2 3.89Å; R421-G474 WeakPolarHBondContact CD-O 3.43Å; R421-G474 VanDerWaalsContact NH1-C 3.32Å; R421-G474 PolarHBondContact NH1-O 2.65Å
422	L	97	Very high	94	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	126.2	169.3	177.8	64.3	0	0	0	110.6	I353 I361 I363 L395 I414 V424 Y434 L436	I353-L422 HydrophobicContact CD1-CD1 3.83Å; I353-L422 HydrophobicContact CD1-CD2 4.18Å; I353-L422 HydrophobicContact CG2-CD1 4.39Å; I353-L422 HydrophobicContact CG2-CD2 4Å; I361-L422 HydrophobicContact CG2-CD2 4.46Å; I363-L422 HydrophobicContact CD1-CD2 4.34Å; L395-L422 HydrophobicContact CD2-CD2 3.52Å; I414-L422 HydrophobicContact CB-CD1 4.16Å; L422-V424 HydrophobicContact CD2-CG2 4.39Å; L422-V424 HydrophobicContact CG-CG2 4.17Å; L422-Y434 PolarHBondContact N-O 2.85Å; L422-Y434 VanDerWaalsContact N-O 3.07Å; L422-Y434 PolarHBondContact O-N 3.43Å; L422-L436 HydrophobicContact CB-CD1 4.22Å; L422-L436 HydrophobicContact CB-CD2 4.01Å; L422-L436 HydrophobicContact CB-CG 4.11Å; L422-L436 HydrophobicContact CD2-CD2 4.11Å
423	F	96.6	Very high	93.9	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.009	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	142.9	171	-64.3	-76	0	0	0	111	T412 H413 R421 G432 Y433 L467 L469 L477 L491	T412-F423 CarbonylContact C-O 3.44Å; T412-F423 WeakPolarHBondContact CA-O 3.45Å; H413-F423 PolarHBondContact N-O 2.88Å; H413-F423 PolarHBondContact O-N 3.48Å; R421-F423 HydrophobicContact CB-CE2 3.84Å; R421-F423 HydrophobicContact CB-CZ 4.31Å; F423-G432 WeakPolarHBondContact CA-O 3.27Å; F423-Y433 HydrophobicContact CD1-CD2 4.06Å; F423-Y433 HydrophobicContact CD1-CG 4.4Å; F423-Y433 AromaticContact CE1-CD2 3.36Å; F423-Y433 HydrophobicContact CE1-CD2 3.36Å; F423-Y433 HydrophobicContact CE1-CE2 4.27Å; F423-Y433 AromaticContact CE1-CG 3.68Å; F423-Y433 HydrophobicContact CE1-CG 3.68Å; F423-Y433 HydrophobicContact CE2-CD2 4.4Å; F423-Y433 AromaticContact CZ-CD2 3.58Å; F423-Y433 HydrophobicContact CZ-CD2 3.58Å; F423-Y433 HydrophobicContact CZ-CE2 4.05Å; F423-Y433 HydrophobicContact CZ-CG 4.25Å; F423-L467 HydrophobicContact CB-CD1 4.14Å; F423-L469 HydrophobicContact CD2-CD1 4.03Å; F423-L469 HydrophobicContact CD2-CD2 4.25Å; F423-L469 HydrophobicContact CE2-CD1 3.42Å; F423-L469 VanDerWaalsContact CE2-CD1 3.42Å; F423-L469 HydrophobicContact CE2-CD2 3.78Å; F423-L469 HydrophobicContact CE2-CG 4.15Å; F423-L469 HydrophobicContact CZ-CD1 4.09Å; F423-L477 HydrophobicContact CB-CD1 4.35Å; F423-L477 HydrophobicContact CB-CD2 4.26Å; F423-L477 HydrophobicContact CD1-CD2 3.9Å; F423-L477 HydrophobicContact CD2-CD1 4.25Å; F423-L477 HydrophobicContact CG-CD1 4.15Å; F423-L477 HydrophobicContact CG-CD2 4.05Å; F423-L491 HydrophobicContact CD1-CD1 3.83Å; F423-L491 HydrophobicContact CE1-CD1 3.19Å; F423-L491 HydrophobicContact CZ-CD1 3.78Å
424	V	97.5	Very high	93.9	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	125	-173.5	-178.7	0	0	0	0	109.6	I361 P409 L422 Y426 V431 G432 Y434	I361-V424 HydrophobicContact CD1-CB 3.9Å; I361-V424 HydrophobicContact CD1-CG1 3.31Å; I361-V424 HydrophobicContact CD1-CG2 3.26Å; P409-V424 HydrophobicContact CB-CG1 3.75Å; L422-V424 HydrophobicContact CD2-CG2 4.39Å; L422-V424 HydrophobicContact CG-CG2 4.17Å; V424-Y426 HydrophobicContact CB-CE2 3.91Å; V424-Y426 HydrophobicContact CG1-CD2 4.07Å; V424-Y426 HydrophobicContact CG1-CE1 4.03Å; V424-Y426 HydrophobicContact CG1-CE2 3.48Å; V424-Y426 VanDerWaalsContact CG1-CE2 3.48Å; V424-Y426 VanDerWaalsContact CG1-CZ 3.46Å; V424-V431 CarbonylContact O-C 3.56Å; V424-V431 WeakPolarHBondContact O-CA 3.4Å; V424-G432 PolarHBondContact N-O 3.14Å; V424-G432 PolarHBondContact O-N 3.06Å; V424-Y434 HydrophobicContact CB-CE2 4.2Å; V424-Y434 HydrophobicContact CG2-CD2 3.73Å; V424-Y434 HydrophobicContact CG2-CE2 3.65Å
425	G	96	Very high	93.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	147.9	170.3	0	0	0	0	0	111	P409 T410 C411 L467	P409-G425 CarbonylContact C-O 3.27Å; P409-G425 VanDerWaalsContact CA-O 3.31Å; P409-G425 WeakPolarHBondContact CA-O 3.19Å; T410-G425 PolarHBondContact N-O 2.93Å; T410-G425 VanDerWaalsContact OG1-C 3.32Å; T410-G425 PolarHBondContact OG1-O 2.96Å; C411-G425 PolarHBondContact O-N 2.92Å; G425-L467 VanDerWaalsContact N-CD1 3.33Å
426	Y	96	Very high	94	Very high	1 Å²	1	20.9 Å²	20.9	0%	0.004	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	161.1	-179.8	-65	-90.4	0	0	0	113	V406 P409 V424 T428 G429 Y430 Y434 M456 I464	V406-Y426 HydrophobicContact CG1-CD1 3.31Å; V406-Y426 HydrophobicContact CG1-CD2 4.11Å; V406-Y426 HydrophobicContact CG1-CE1 3.53Å; V406-Y426 HydrophobicContact CG1-CE2 4.28Å; V406-Y426 HydrophobicContact CG1-CG 3.62Å; V406-Y426 WeakPolarHBondContact O-CB 3.32Å; P409-Y426 HydrophobicContact CB-CD1 4.05Å; P409-Y426 HydrophobicContact CB-CE1 3.88Å; P409-Y426 HydrophobicContact CG-CE1 4.49Å; V424-Y426 HydrophobicContact CB-CE2 3.91Å; V424-Y426 HydrophobicContact CG1-CD2 4.07Å; V424-Y426 HydrophobicContact CG1-CE1 4.03Å; V424-Y426 HydrophobicContact CG1-CE2 3.48Å; V424-Y426 VanDerWaalsContact CG1-CE2 3.48Å; V424-Y426 VanDerWaalsContact CG1-CZ 3.46Å; Y426-T428 PolarHBondContact O-N 2.85Å; Y426-G429 PolarHBondContact O-N 3.38Å; Y426-G429 VanDerWaalsContact O-N 3.15Å; Y426-Y430 PolarHBondContact N-O 3.09Å; Y426-Y434 PolarHBondContact OH-OH 3.12Å; Y426-M456 HydrophobicContact CD2-CE 4.14Å; Y426-M456 HydrophobicContact CE2-CE 3.86Å; Y426-I464 PolarHBondContact O-N 2.89Å; Y426-I464 VanDerWaalsContact O-N 3.11Å
427	T	94.7	Very high	94.2	Very high	12 Å²	12	20.3 Å²	20.3	7%	0.074	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-26.5	179.3	23	0	0	0	0	114.8	Y268 G407 W408 T410 P463	Y268-T427 HydrophobicContact CD1-CG2 3.92Å; Y268-T427 VanDerWaalsContact O-CG2 3.32Å; Y268-T427 WeakPolarHBondContact O-CG2 3.41Å; G407-T427 WeakPolarHBondContact CA-OG1 3.4Å; W408-T427 HydrophobicContact CD2-CG2 3.66Å; W408-T427 HydrophobicContact CE3-CG2 3.92Å; W408-T427 HydrophobicContact CG-CG2 4.34Å; W408-T427 HydrophobicContact CH2-CG2 3.77Å; W408-T427 HydrophobicContact CZ2-CG2 3.48Å; W408-T427 VanDerWaalsContact CZ2-CG2 3.48Å; W408-T427 HydrophobicContact CZ3-CG2 3.98Å; W408-T427 PolarHBondContact N-OG1 3Å; W408-T427 PolarHBondContact O-N 3.18Å; W408-T427 PolarHBondContact O-OG1 2.85Å; T410-T427 HydrophobicContact CG2-CG2 3.63Å; T427-P463 WeakPolarHBondContact O-CA 3.36Å; T427-P463 WeakPolarHBondContact O-CD 3.42Å; T427-P463 WeakPolarHBondContact O-CG 3.33Å
428	T	92.6	Very high	94.5	Very high	37 Å²	37	18.6 Å²	18.6	23%	0.227	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	8.3	-178.7	61.2	0	0	0	0	113.8	W405 V406 Y426 Y430 R458	W405-T428 PolarHBondContact O-OG1 2.9Å; W405-T428 VanDerWaalsContact O-OG1 3.09Å; V406-T428 VanDerWaalsContact C-OG1 3.27Å; V406-T428 PolarHBondContact O-OG1 2.85Å; Y426-T428 PolarHBondContact O-N 2.85Å; T428-Y430 VanDerWaalsContact OG1-CD2 3.26Å; T428-Y430 WeakPolarHBondContact OG1-CD2 3.04Å; T428-R458 PolarHBondContact O-NE 3.06Å; T428-R458 PolarHBondContact O-NH2 3.13Å; T428-R458 VanDerWaalsContact O-NH2 3.12Å
429	G	92.1	Very high	94.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.086	C	C	.	.	S	Bend	trans	84.3	11.5	179.9	0	0	0	0	0	114.8	Y426 L459 T460 S462	Y426-G429 PolarHBondContact O-N 3.38Å; Y426-G429 VanDerWaalsContact O-N 3.15Å; G429-L459 PolarHBondContact O-N 3.03Å; G429-T460 WeakPolarHBondContact CA-O 3.21Å; G429-T460 VanDerWaalsContact CA-OG1 3.3Å; G429-T460 WeakPolarHBondContact CA-OG1 3.19Å; G429-T460 PolarHBondContact O-N 3.26Å; G429-S462 WeakPolarHBondContact CA-O 3.46Å
430	Y	94.3	Very high	94.5	Very high	56 Å²	56	19.1 Å²	19.1	22%	0.22	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	149.2	167.7	-77.3	-97.9	0	0	0	111.5	W405 Y426 T428 M456 S457 R458 I464	W405-Y430 HydrophobicContact CE3-CD2 4.45Å; W405-Y430 HydrophobicContact CE3-CE1 4.19Å; W405-Y430 AromaticContact CE3-CE2 3.85Å; W405-Y430 HydrophobicContact CE3-CE2 3.85Å; W405-Y430 AromaticContact CE3-CZ 3.69Å; W405-Y430 HydrophobicContact CZ3-CD1 4.01Å; W405-Y430 HydrophobicContact CZ3-CD2 4.43Å; W405-Y430 AromaticContact CZ3-CE1 3.58Å; W405-Y430 HydrophobicContact CZ3-CE1 3.58Å; W405-Y430 HydrophobicContact CZ3-CE2 4.04Å; W405-Y430 HydrophobicContact CZ3-CG 4.39Å; W405-Y430 AromaticContact CZ3-CZ 3.59Å; Y426-Y430 PolarHBondContact N-O 3.09Å; T428-Y430 VanDerWaalsContact OG1-CD2 3.26Å; T428-Y430 WeakPolarHBondContact OG1-CD2 3.04Å; Y430-M456 HydrophobicContact CD1-CE 4.33Å; Y430-M456 HydrophobicContact CD1-CG 3.98Å; Y430-M456 HydrophobicContact CG-CE 4.34Å; Y430-S457 CarbonylContact C-O 3.41Å; Y430-S457 WeakPolarHBondContact CA-O 3.31Å; Y430-R458 HydrophobicContact CD1-CB 3.94Å; Y430-R458 HydrophobicContact CD2-CB 4.16Å; Y430-R458 HydrophobicContact CD2-CG 3.92Å; Y430-R458 HydrophobicContact CE1-CB 3.76Å; Y430-R458 HydrophobicContact CE2-CB 4Å; Y430-R458 HydrophobicContact CE2-CG 3.87Å; Y430-R458 HydrophobicContact CG-CB 4.16Å; Y430-R458 HydrophobicContact CG-CG 4.31Å; Y430-I464 WeakPolarHBondContact O-CG1 3.44Å
431	V	95	Very high	94.4	Very high	6 Å²	6	22.5 Å²	22.5	4%	0.036	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	130	164.9	178	0	0	0	0	108.7	V424 M456 S457 L459 I464 L467 L477 V479	V424-V431 CarbonylContact O-C 3.56Å; V424-V431 WeakPolarHBondContact O-CA 3.4Å; V431-M456 WeakPolarHBondContact O-CA 3.42Å; V431-S457 PolarHBondContact N-O 2.88Å; V431-S457 PolarHBondContact O-N 2.81Å; V431-L459 HydrophobicContact CB-CD1 3.94Å; V431-L459 HydrophobicContact CB-CG 4.3Å; V431-L459 HydrophobicContact CG2-CB 4.44Å; V431-L459 HydrophobicContact CG2-CD1 3.92Å; V431-L459 HydrophobicContact CG2-CG 4.26Å; V431-I464 HydrophobicContact CG2-CD1 4.14Å; V431-I464 HydrophobicContact CG2-CG1 4.11Å; V431-L467 HydrophobicContact CG2-CD2 4.22Å; V431-L477 HydrophobicContact CG1-CD2 3.83Å; V431-V479 HydrophobicContact CG2-CG1 4.03Å; V431-V479 HydrophobicContact CG2-CG2 4.4Å
432	G	94.4	Very high	94.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	137.2	172.9	0	0	0	0	0	111.2	F423 V424	F423-G432 WeakPolarHBondContact CA-O 3.27Å; V424-G432 PolarHBondContact N-O 3.14Å; V424-G432 PolarHBondContact O-N 3.06Å
433	Y	95.1	Very high	94.1	Very high	33 Å²	33	28.6 Å²	28.6	13%	0.129	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.5	170.1	168.5	-132.4	0	0	0	109.4	R421 F423 P453 V454 K455	R421-Y433 HydrophobicContact CB-CE2 3.88Å; R421-Y433 HydrophobicContact CG-CE2 3.89Å; F423-Y433 HydrophobicContact CD1-CD2 4.06Å; F423-Y433 HydrophobicContact CD1-CG 4.4Å; F423-Y433 AromaticContact CE1-CD2 3.36Å; F423-Y433 HydrophobicContact CE1-CD2 3.36Å; F423-Y433 HydrophobicContact CE1-CE2 4.27Å; F423-Y433 AromaticContact CE1-CG 3.68Å; F423-Y433 HydrophobicContact CE1-CG 3.68Å; F423-Y433 HydrophobicContact CE2-CD2 4.4Å; F423-Y433 AromaticContact CZ-CD2 3.58Å; F423-Y433 HydrophobicContact CZ-CD2 3.58Å; F423-Y433 HydrophobicContact CZ-CE2 4.05Å; F423-Y433 HydrophobicContact CZ-CG 4.25Å; Y433-P453 CarbonylContact O-C 3.58Å; Y433-P453 VanDerWaalsContact O-CA 3.28Å; Y433-P453 WeakPolarHBondContact O-CA 3.31Å; Y433-P453 WeakPolarHBondContact O-CB 3.21Å; Y433-V454 HydrophobicContact CD1-CB 3.91Å; Y433-V454 HydrophobicContact CD1-CG1 4.26Å; Y433-V454 HydrophobicContact CE1-CB 4.03Å; Y433-V454 HydrophobicContact CE1-CG1 4.12Å; Y433-V454 PolarHBondContact O-N 2.8Å; Y433-K455 HydrophobicContact CD1-CB 4.24Å; Y433-K455 PolarHBondContact N-O 3.25Å; Y433-K455 PolarHBondContact O-N 3.31Å
434	Y	96.2	Very high	94	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	127.8	176.2	-64.2	-96.8	0	0	0	109.5	L395 S396 D420 L422 V424 Y426 L451 P453	L395-Y434 HydrophobicContact CB-CD1 4.07Å; L395-Y434 HydrophobicContact CB-CE1 3.76Å; L395-Y434 HydrophobicContact CD2-CD1 3.7Å; L395-Y434 HydrophobicContact CD2-CD2 4.25Å; L395-Y434 HydrophobicContact CD2-CE1 4.23Å; L395-Y434 HydrophobicContact CD2-CG 3.71Å; L395-Y434 HydrophobicContact CG-CD1 3.77Å; L395-Y434 HydrophobicContact CG-CE1 4Å; L395-Y434 HydrophobicContact CG-CG 4.3Å; S396-Y434 WeakPolarHBondContact CA-OH 3.42Å; D420-Y434 VanDerWaalsContact O-O 3.13Å; L422-Y434 PolarHBondContact N-O 2.85Å; L422-Y434 VanDerWaalsContact N-O 3.07Å; L422-Y434 PolarHBondContact O-N 3.43Å; V424-Y434 HydrophobicContact CB-CE2 4.2Å; V424-Y434 HydrophobicContact CG2-CD2 3.73Å; V424-Y434 HydrophobicContact CG2-CE2 3.65Å; Y426-Y434 PolarHBondContact OH-OH 3.12Å; Y434-L451 HydrophobicContact CD1-CD2 4.41Å; Y434-L451 HydrophobicContact CD1-CG 4.29Å; Y434-L451 WeakPolarHBondContact CE1-O 3.08Å; Y434-P453 HydrophobicContact CD1-CB 4.18Å; Y434-P453 HydrophobicContact CD2-CB 4.38Å; Y434-P453 HydrophobicContact CE1-CB 3.84Å; Y434-P453 HydrophobicContact CE1-CG 4.24Å; Y434-P453 VanDerWaalsContact CE1-N 3.29Å; Y434-P453 HydrophobicContact CE2-CB 4.03Å; Y434-P453 HydrophobicContact CG-CB 4.45Å
435	N	95.1	Very high	93.8	Very high	41 Å²	41	30.3 Å²	30.3	22%	0.219	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	101.6	167.8	-178.6	-32.2	0	0	0	108.4	D420 S437 S438 V454	D420-N435 CarbonylContact O-C 3.58Å; D420-N435 WeakPolarHBondContact O-CA 3.39Å; N435-S437 PolarHBondContact O-N 2.82Å; N435-S437 WeakPolarHBondContact OD1-CA 3.29Å; N435-S437 WeakPolarHBondContact OD1-CB 3.47Å; N435-S437 PolarHBondContact OD1-N 2.84Å; N435-S438 WeakPolarHBondContact O-CB 3.38Å; N435-S438 PolarHBondContact O-N 3.03Å; N435-S438 VanDerWaalsContact O-N 3.13Å; N435-S438 PolarHBondContact OD1-N 3.13Å; N435-S438 VanDerWaalsContact OD1-N 3.17Å; N435-V454 HydrophobicContact CB-CG2 3.79Å
436	L	95.4	Very high	93.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-26.6	-175.9	-60.2	-171.6	0	0	0	113.1	P153 F154 R168 I317 I363 L395 I414 D420 L422 L451	P153-L436 HydrophobicContact CB-CB 3.95Å; P153-L436 HydrophobicContact CG-CB 4.31Å; F154-L436 HydrophobicContact CE1-CB 3.92Å; F154-L436 HydrophobicContact CZ-CB 4.31Å; F154-L436 HydrophobicContact CZ-CD1 4.35Å; R168-L436 PolarHBondContact NH1-O 3.44Å; I317-L436 HydrophobicContact CD1-CD1 3.9Å; I317-L436 HydrophobicContact CG1-CD1 4.44Å; I363-L436 HydrophobicContact CD1-CD1 4.11Å; I363-L436 HydrophobicContact CD1-CD2 3.57Å; I363-L436 HydrophobicContact CD1-CG 4.49Å; L395-L436 HydrophobicContact CD2-CD2 3.97Å; I414-L436 HydrophobicContact CD1-CD1 3.85Å; D420-L436 PolarHBondContact O-N 2.92Å; L422-L436 HydrophobicContact CB-CD1 4.22Å; L422-L436 HydrophobicContact CB-CD2 4.01Å; L422-L436 HydrophobicContact CB-CG 4.11Å; L422-L436 HydrophobicContact CD2-CD2 4.11Å; L436-L451 HydrophobicContact CD2-CD2 4.2Å
437	S	92.2	Very high	93.2	Very high	32 Å²	32	39 Å²	39	22%	0.224	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-20.9	178.5	-54	0	0	0	0	113	P153 R168 D420 N435	P153-S437 WeakPolarHBondContact CA-OG 3.49Å; P153-S437 VanDerWaalsContact CB-OG 3.28Å; P153-S437 WeakPolarHBondContact CB-OG 3.42Å; P153-S437 WeakPolarHBondContact O-CA 3.37Å; R168-S437 PolarHBondContact NH1-O 3.31Å; R168-S437 PolarHBondContact NH2-O 3.22Å; D420-S437 WeakPolarHBondContact CB-OG 3.33Å; N435-S437 PolarHBondContact O-N 2.82Å; N435-S437 WeakPolarHBondContact OD1-CA 3.29Å; N435-S437 WeakPolarHBondContact OD1-CB 3.47Å; N435-S437 PolarHBondContact OD1-N 2.84Å
438	S	93	Very high	93	Very high	24 Å²	24	44 Å²	44	17%	0.168	23%	0.228	C	C	.	.			trans	-59.5	137.5	-176.2	-169.9	0	0	0	0	113.3	R168 N435 N440 V443	R168-S438 PolarHBondContact NH1-O 2.91Å; R168-S438 VanDerWaalsContact NH1-O 3.1Å; N435-S438 WeakPolarHBondContact O-CB 3.38Å; N435-S438 PolarHBondContact O-N 3.03Å; N435-S438 VanDerWaalsContact O-N 3.13Å; N435-S438 PolarHBondContact OD1-N 3.13Å; N435-S438 VanDerWaalsContact OD1-N 3.17Å; S438-N440 PolarHBondContact OG-N 2.84Å; S438-V443 VanDerWaalsContact OG-CG2 3.23Å; S438-V443 WeakPolarHBondContact OG-CG2 3.37Å
439	L	92.2	Very high	92.9	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.016	22%	0.22	C	C	.	.			trans	-127.4	8.9	171.7	-69.2	174.4	0	0	0	112.3	Y161 N164 F165 R168 D441 Y444	Y161-L439 HydrophobicContact CD1-CB 4.33Å; Y161-L439 WeakPolarHBondContact CD1-O 3.32Å; Y161-L439 WeakPolarHBondContact CE1-O 3.4Å; Y161-L439 HydrophobicContact CG-CB 4.04Å; N164-L439 HydrophobicContact CB-CB 4.24Å; N164-L439 HydrophobicContact CB-CD2 4.11Å; N164-L439 PolarHBondContact ND2-O 2.9Å; F165-L439 HydrophobicContact CB-CD1 3.71Å; F165-L439 HydrophobicContact CD2-CD1 4.18Å; F165-L439 HydrophobicContact CG-CD1 4.47Å; R168-L439 HydrophobicContact CB-CD2 4.29Å; R168-L439 VanDerWaalsContact CZ-CD2 3.47Å; L439-D441 PolarHBondContact O-N 3.08Å; L439-Y444 HydrophobicContact CD2-CD1 3.87Å; L439-Y444 HydrophobicContact CD2-CE1 3.85Å; L439-Y444 HydrophobicContact CD2-CG 4.31Å
440	N	91.6	Very high	93.1	Very high	61 Å²	61	43 Å²	43	33%	0.326	22%	0.221	S	C	.	.			trans	-68.1	127.6	-179.5	-179.5	-38.4	0	0	0	110.1	S438 L442 V443 Y444	S438-N440 PolarHBondContact OG-N 2.84Å; N440-L442 PolarHBondContact O-N 3.41Å; N440-L442 VanDerWaalsContact OD1-CB 3.32Å; N440-L442 WeakPolarHBondContact OD1-CB 3.36Å; N440-L442 WeakPolarHBondContact OD1-CG 3.45Å; N440-L442 PolarHBondContact OD1-N 2.99Å; N440-V443 HydrophobicContact CB-CG2 4.44Å; N440-V443 PolarHBondContact O-N 3.22Å; N440-Y444 PolarHBondContact O-N 3.5Å
441	D	90.8	Very high	93.2	Very high	106 Å²	106	40.4 Å²	40.4	57%	0.567	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-17.4	-174.7	-54.5	-69.4	0	0	0	114.6	N164 L439 V443 Y444	N164-D441 PolarHBondContact ND2-OD1 2.8Å; L439-D441 PolarHBondContact O-N 3.08Å; D441-V443 VanDerWaalsContact C-N 3.28Å; D441-V443 PolarHBondContact O-N 3.09Å; D441-Y444 WeakPolarHBondContact CA-O 3.39Å
442	L	91.2	Very high	93.3	Very high	156 Å²	156	41 Å²	41	82%	0.817	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-25.6	172.3	-64.8	175.3	0	0	0	113.3	N440	N440-L442 PolarHBondContact O-N 3.41Å; N440-L442 VanDerWaalsContact OD1-CB 3.32Å; N440-L442 WeakPolarHBondContact OD1-CB 3.36Å; N440-L442 WeakPolarHBondContact OD1-CG 3.45Å; N440-L442 PolarHBondContact OD1-N 2.99Å
443	V	93.6	Very high	93.3	Very high	30 Å²	30	42 Å²	42	18%	0.182	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.5	-24.4	-178.7	-63.8	0	0	0	0	113.7	S438 N440 D441 L451 A452	S438-V443 VanDerWaalsContact OG-CG2 3.23Å; S438-V443 WeakPolarHBondContact OG-CG2 3.37Å; N440-V443 HydrophobicContact CB-CG2 4.44Å; N440-V443 PolarHBondContact O-N 3.22Å; D441-V443 VanDerWaalsContact C-N 3.28Å; D441-V443 PolarHBondContact O-N 3.09Å; V443-L451 HydrophobicContact CB-CD1 4.44Å; V443-L451 HydrophobicContact CG2-CD1 4.21Å; V443-L451 CarbonylContact O-C 3.17Å; V443-L451 WeakPolarHBondContact O-CA 3.5Å; V443-A452 HydrophobicContact CB-CB 4.31Å; V443-A452 PolarHBondContact O-N 3.44Å
444	Y	95.1	Very high	93.2	Very high	3 Å²	3	44.1 Å²	44.1	1%	0.012	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	127.2	180	177.3	-104.8	0	0	0	111.1	N164 R168 L393 L439 N440 D441 N449 H450	N164-Y444 HydrophobicContact CB-CD1 3.83Å; N164-Y444 HydrophobicContact CB-CE1 3.64Å; R168-Y444 PolarHBondContact N-OH 3.18Å; L393-Y444 HydrophobicContact CD1-CD2 4.22Å; L393-Y444 HydrophobicContact CD1-CE2 3.66Å; L439-Y444 HydrophobicContact CD2-CD1 3.87Å; L439-Y444 HydrophobicContact CD2-CE1 3.85Å; L439-Y444 HydrophobicContact CD2-CG 4.31Å; N440-Y444 PolarHBondContact O-N 3.5Å; D441-Y444 WeakPolarHBondContact CA-O 3.39Å; Y444-N449 PolarHBondContact OH-OD1 2.8Å; Y444-H450 CarbonylContact C-O 3.4Å; Y444-H450 WeakPolarHBondContact CA-O 3.3Å; Y444-H450 WeakPolarHBondContact CD2-O 3.27Å
445	S	93.3	Very high	92.9	Very high	35 Å²	35	45.6 Å²	45.6	25%	0.245	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	109.2	173.4	-170.8	0	0	0	0	110.9	Q447 Y448 N449 H450	S445-Q447 VanDerWaalsContact C-N 3.33Å; S445-Q447 PolarHBondContact O-N 3.3Å; S445-Y448 PolarHBondContact O-N 3.01Å; S445-Y448 WeakPolarHBondContact OG-CD2 3.23Å; S445-N449 VanDerWaalsContact O-CA 3.31Å; S445-N449 WeakPolarHBondContact O-CA 3.42Å; S445-N449 PolarHBondContact O-N 2.71Å; S445-H450 PolarHBondContact N-O 2.78Å; S445-H450 PolarHBondContact O-N 2.77Å
446	S	90.3	Very high	92.7	Very high	39 Å²	39	45.6 Å²	45.6	27%	0.273	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-30.3	178.2	48	0	0	0	0	113.7	N164 Y448	N164-S446 WeakPolarHBondContact OD1-CB 3.4Å; N164-S446 PolarHBondContact OD1-OG 2.79Å; S446-Y448 VanDerWaalsContact C-N 3.3Å; S446-Y448 PolarHBondContact O-N 3.41Å
447	Q	89.4	Confident	92.5	Very high	145 Å²	145	45.9 Å²	45.9	68%	0.678	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-36.6	176.7	-179	178.9	7.2	0	0	112.7	S445	S445-Q447 VanDerWaalsContact C-N 3.33Å; S445-Q447 PolarHBondContact O-N 3.3Å
448	Y	89.7	Confident	92.4	Very high	117 Å²	117	49.5 Å²	49.5	46%	0.459	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	1.4	-175.2	-59.5	-77.1	0	0	0	113.1	V399 S445 S446 H450	V399-Y448 HydrophobicContact CG1-CD1 3.89Å; V399-Y448 HydrophobicContact CG1-CD2 3.5Å; V399-Y448 VanDerWaalsContact CG1-CD2 3.5Å; V399-Y448 HydrophobicContact CG1-CE1 4.44Å; V399-Y448 HydrophobicContact CG1-CE2 4.09Å; V399-Y448 HydrophobicContact CG1-CG 3.37Å; S445-Y448 PolarHBondContact O-N 3.01Å; S445-Y448 WeakPolarHBondContact OG-CD2 3.23Å; S446-Y448 VanDerWaalsContact C-N 3.3Å; S446-Y448 PolarHBondContact O-N 3.41Å; Y448-H450 VanDerWaalsContact C-N 3.25Å; Y448-H450 PolarHBondContact O-N 3.29Å
449	N	92	Very high	92.3	Very high	8 Å²	8	48.4 Å²	48.4	4%	0.043	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	40.8	55.6	-166.5	-161	41	0	0	0	111.9	A171 Y392 L393 T394 Y444 S445	A171-N449 WeakPolarHBondContact CB-ND2 3.3Å; Y392-N449 VanDerWaalsContact C-ND2 3.27Å; Y392-N449 PolarHBondContact O-ND2 2.74Å; L393-N449 WeakPolarHBondContact CA-ND2 3.41Å; L393-N449 WeakPolarHBondContact CA-O 3.46Å; L393-N449 PolarHBondContact N-ND2 2.93Å; T394-N449 PolarHBondContact N-O 2.7Å; Y444-N449 PolarHBondContact OH-OD1 2.8Å; S445-N449 VanDerWaalsContact O-CA 3.31Å; S445-N449 WeakPolarHBondContact O-CA 3.42Å; S445-N449 PolarHBondContact O-N 2.71Å
450	H	95.2	Very high	92.1	Very high	7 Å²	7	48.3 Å²	48.3	3%	0.032	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	143.7	-173	174.5	-89.4	0	0	0	111.1	T394 S396 V399 Y444 S445 Y448	T394-H450 CarbonylContact O-C 3.55Å; T394-H450 VanDerWaalsContact O-CA 3.28Å; T394-H450 WeakPolarHBondContact O-CA 3.13Å; T394-H450 PolarHBondContact O-CD2 2.89Å; S396-H450 PolarHBondContact O-CE1 3.1Å; S396-H450 PolarHBondContact O-NE2 3.13Å; S396-H450 PolarHBondContact OG-NE2 3.05Å; V399-H450 HydrophobicContact CG1-CB 4.49Å; V399-H450 HydrophobicContact CG2-CB 4.24Å; V399-H450 WeakPolarHBondContact CG2-ND1 3.05Å; Y444-H450 CarbonylContact C-O 3.4Å; Y444-H450 WeakPolarHBondContact CA-O 3.3Å; Y444-H450 WeakPolarHBondContact CD2-O 3.27Å; S445-H450 PolarHBondContact N-O 2.78Å; S445-H450 PolarHBondContact O-N 2.77Å; Y448-H450 VanDerWaalsContact C-N 3.25Å; Y448-H450 PolarHBondContact O-N 3.29Å
451	L	96.4	Very high	91.9	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	118.2	175	-179.2	68	0	0	0	110.3	L393 T394 L395 S396 Y434 L436 V443	L393-L451 HydrophobicContact CD1-CB 4.31Å; L393-L451 HydrophobicContact CD2-CD2 4.4Å; L393-L451 HydrophobicContact CG-CB 4.49Å; T394-L451 PolarHBondContact O-N 2.85Å; L395-L451 WeakPolarHBondContact CA-O 3.09Å; L395-L451 HydrophobicContact CD1-CB 4.28Å; L395-L451 HydrophobicContact CG-CB 4.21Å; L395-L451 HydrophobicContact CG-CD2 4.33Å; S396-L451 PolarHBondContact N-O 2.92Å; Y434-L451 HydrophobicContact CD1-CD2 4.41Å; Y434-L451 HydrophobicContact CD1-CG 4.29Å; Y434-L451 WeakPolarHBondContact CE1-O 3.08Å; L436-L451 HydrophobicContact CD2-CD2 4.2Å; V443-L451 HydrophobicContact CB-CD1 4.44Å; V443-L451 HydrophobicContact CG2-CD1 4.21Å; V443-L451 CarbonylContact O-C 3.17Å; V443-L451 WeakPolarHBondContact O-CA 3.5Å
452	A	96.6	Very high	91.7	Very high	19 Å²	19	44.6 Å²	44.6	16%	0.157	24%	0.235	C	C	.	.			trans	-78.8	154	171	0	0	0	0	0	111.6	S396 V443	S396-A452 WeakPolarHBondContact O-CA 3.05Å; V443-A452 HydrophobicContact CB-CB 4.31Å; V443-A452 PolarHBondContact O-N 3.44Å
453	P	95.3	Very high	91.7	Very high	21 Å²	21	38 Å²	38	14%	0.136	20%	0.202	C	C	.	.			trans	-68.3	138.9	174.2	28.6	-32.3	0	0	0	110.6	P397 Y433 Y434 M456	P397-P453 HydrophobicContact CB-CG 4.43Å; P397-P453 HydrophobicContact CG-CG 4.23Å; Y433-P453 CarbonylContact O-C 3.58Å; Y433-P453 VanDerWaalsContact O-CA 3.28Å; Y433-P453 WeakPolarHBondContact O-CA 3.31Å; Y433-P453 WeakPolarHBondContact O-CB 3.21Å; Y434-P453 HydrophobicContact CD1-CB 4.18Å; Y434-P453 HydrophobicContact CD2-CB 4.38Å; Y434-P453 HydrophobicContact CE1-CB 3.84Å; Y434-P453 HydrophobicContact CE1-CG 4.24Å; Y434-P453 VanDerWaalsContact CE1-N 3.29Å; Y434-P453 HydrophobicContact CE2-CB 4.03Å; Y434-P453 HydrophobicContact CG-CB 4.45Å; P453-M456 HydrophobicContact CG-CB 4.38Å; P453-M456 HydrophobicContact CG-SD 4.32Å
454	V	93	Very high	91.7	Very high	77 Å²	77	36.6 Å²	36.6	47%	0.467	19%	0.193	S	C	.	.	S	Bend	trans	-70.8	-37.7	173.9	178.8	0	0	0	0	110.8	Y433 N435	Y433-V454 HydrophobicContact CD1-CB 3.91Å; Y433-V454 HydrophobicContact CD1-CG1 4.26Å; Y433-V454 HydrophobicContact CE1-CB 4.03Å; Y433-V454 HydrophobicContact CE1-CG1 4.12Å; Y433-V454 PolarHBondContact O-N 2.8Å; N435-V454 HydrophobicContact CB-CG2 3.79Å
455	K	90.5	Very high	91.5	Very high	32 Å²	32	37.6 Å²	37.6	14%	0.139	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	139.1	173.9	-165.5	-176.4	-169.9	-177.7	0	109	Y433 L491 D493 F497	Y433-K455 HydrophobicContact CD1-CB 4.24Å; Y433-K455 PolarHBondContact N-O 3.25Å; Y433-K455 PolarHBondContact O-N 3.31Å; K455-L491 WeakPolarHBondContact CD-O 3.33Å; K455-L491 PolarHBondContact NZ-O 2.89Å; K455-D493 PolarHBondContact NZ-O 3.27Å; K455-F497 HydrophobicContact CD-CE1 4.19Å; K455-F497 HydrophobicContact CD-CZ 4.38Å; K455-F497 HydrophobicContact CG-CE1 3.98Å; K455-F497 HydrophobicContact CG-CZ 4.48Å
456	M	90.4	Very high	91.4	Very high	40 Å²	40	36.2 Å²	36.2	20%	0.197	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	135.8	171.4	-164.5	167.3	-162	0	0	109.1	P397 W405 V406 Y426 Y430 V431 P453	P397-M456 HydrophobicContact CB-SD 4.23Å; P397-M456 HydrophobicContact CG-CE 3.8Å; P397-M456 HydrophobicContact CG-SD 3.55Å; P397-M456 VanDerWaalsContact CG-SD 3.55Å; W405-M456 HydrophobicContact CH2-CE 4.45Å; W405-M456 HydrophobicContact CH2-SD 3.85Å; W405-M456 HydrophobicContact CZ3-CE 4.3Å; W405-M456 HydrophobicContact CZ3-SD 4.17Å; V406-M456 HydrophobicContact CB-CE 4.17Å; V406-M456 HydrophobicContact CG1-CE 3.42Å; V406-M456 VanDerWaalsContact CG1-CE 3.42Å; V406-M456 HydrophobicContact CG2-CE 3.7Å; V406-M456 HydrophobicContact CG2-SD 4.44Å; Y426-M456 HydrophobicContact CD2-CE 4.14Å; Y426-M456 HydrophobicContact CE2-CE 3.86Å; Y430-M456 HydrophobicContact CD1-CE 4.33Å; Y430-M456 HydrophobicContact CD1-CG 3.98Å; Y430-M456 HydrophobicContact CG-CE 4.34Å; V431-M456 WeakPolarHBondContact O-CA 3.42Å; P453-M456 HydrophobicContact CG-CB 4.38Å; P453-M456 HydrophobicContact CG-SD 4.32Å
457	S	90.7	Very high	91.7	Very high	7 Å²	7	34.8 Å²	34.8	5%	0.049	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	139.5	-170.5	-57.7	0	0	0	0	111.2	Y430 V431 L459 F497	Y430-S457 CarbonylContact C-O 3.41Å; Y430-S457 WeakPolarHBondContact CA-O 3.31Å; V431-S457 PolarHBondContact N-O 2.88Å; V431-S457 PolarHBondContact O-N 2.81Å; S457-L459 PolarHBondContact O-N 2.68Å; S457-F497 WeakPolarHBondContact OG-CD1 3.5Å
458	R	91	Very high	91.9	Very high	108 Å²	108	28 Å²	28	41%	0.408	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	90.5	177.5	-164.1	176.5	-174.5	-167.1	-2.9	109.8	T428 Y430 T460 S461 F497 T498 S499	T428-R458 PolarHBondContact O-NE 3.06Å; T428-R458 PolarHBondContact O-NH2 3.13Å; T428-R458 VanDerWaalsContact O-NH2 3.12Å; Y430-R458 HydrophobicContact CD1-CB 3.94Å; Y430-R458 HydrophobicContact CD2-CB 4.16Å; Y430-R458 HydrophobicContact CD2-CG 3.92Å; Y430-R458 HydrophobicContact CE1-CB 3.76Å; Y430-R458 HydrophobicContact CE2-CB 4Å; Y430-R458 HydrophobicContact CE2-CG 3.87Å; Y430-R458 HydrophobicContact CG-CB 4.16Å; Y430-R458 HydrophobicContact CG-CG 4.31Å; R458-T460 WeakPolarHBondContact CG-O 3.41Å; R458-T460 PolarHBondContact NE-O 2.82Å; R458-S461 PolarHBondContact NH2-O 3Å; R458-F497 PolarHBondContact N-O 2.94Å; R458-T498 CarbonylContact O-C 3.58Å; R458-T498 VanDerWaalsContact O-C 3.23Å; R458-T498 WeakPolarHBondContact O-CA 3.26Å; R458-S499 PolarHBondContact O-N 2.74Å
459	L	89.8	Confident	92.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.125	C	C	.	.			trans	-85.3	-18	-172.3	-55.5	-171.6	0	0	0	112.9	G429 V431 S457 V479 W489 L491 S499 R505	G429-L459 PolarHBondContact O-N 3.03Å; V431-L459 HydrophobicContact CB-CD1 3.94Å; V431-L459 HydrophobicContact CB-CG 4.3Å; V431-L459 HydrophobicContact CG2-CB 4.44Å; V431-L459 HydrophobicContact CG2-CD1 3.92Å; V431-L459 HydrophobicContact CG2-CG 4.26Å; S457-L459 PolarHBondContact O-N 2.68Å; L459-V479 HydrophobicContact CD1-CG2 3.98Å; L459-W489 HydrophobicContact CB-CD2 4.5Å; L459-W489 HydrophobicContact CB-CZ2 4.07Å; L459-W489 HydrophobicContact CD1-CB 4.46Å; L459-W489 HydrophobicContact CD1-CD2 4.25Å; L459-W489 HydrophobicContact CD1-CG 4.1Å; L459-W489 HydrophobicContact CD2-CG 4.38Å; L459-W489 WeakPolarHBondContact O-CZ2 3.12Å; L459-L491 HydrophobicContact CD1-CD2 4.25Å; L459-S499 VanDerWaalsContact O-CA 3.25Å; L459-S499 WeakPolarHBondContact O-CA 3.12Å; L459-R505 PolarHBondContact O-NH2 2.82Å
460	T	88.4	Confident	92	Very high	1 Å²	1	22 Å²	22	1%	0.006	12%	0.124	C	C	.	.			trans	-141.3	166.8	175.2	61.4	0	0	0	0	111.6	G429 R458 S462 I464 A481 W489	G429-T460 WeakPolarHBondContact CA-O 3.21Å; G429-T460 VanDerWaalsContact CA-OG1 3.3Å; G429-T460 WeakPolarHBondContact CA-OG1 3.19Å; G429-T460 PolarHBondContact O-N 3.26Å; R458-T460 WeakPolarHBondContact CG-O 3.41Å; R458-T460 PolarHBondContact NE-O 2.82Å; T460-S462 PolarHBondContact OG1-O 2.9Å; T460-I464 HydrophobicContact CG2-CD1 4.19Å; T460-I464 WeakPolarHBondContact OG1-CD1 3.45Å; T460-A481 HydrophobicContact CG2-CB 3.66Å; T460-A481 WeakPolarHBondContact OG1-CB 3.38Å; T460-W489 HydrophobicContact CG2-CH2 4.44Å
461	S	86.7	Confident	91.6	Very high	70 Å²	70	21.8 Å²	21.8	49%	0.49	12%	0.123	S	C	.	.	S	Bend	trans	-81.9	-30.2	175.3	18.9	0	0	0	0	113.3	R458 E483	R458-S461 PolarHBondContact NH2-O 3Å; S461-E483 PolarHBondContact OG-OE1 2.79Å; S461-E483 PolarHBondContact OG-OE2 2.85Å
462	S	87.9	Confident	91	Very high	20 Å²	20	26.7 Å²	26.7	14%	0.14	15%	0.148	C	C	.	.	S	Bend	trans	-112	168.1	-172.6	59.3	0	0	0	0	112.9	G429 T460 I464 A481 E483	G429-S462 WeakPolarHBondContact CA-O 3.46Å; T460-S462 PolarHBondContact OG1-O 2.9Å; S462-I464 PolarHBondContact O-N 3.07Å; S462-A481 WeakPolarHBondContact OG-CB 3.3Å; S462-E483 VanDerWaalsContact CB-OE2 3.23Å; S462-E483 WeakPolarHBondContact CB-OE2 3.38Å; S462-E483 PolarHBondContact N-OE2 2.79Å; S462-E483 VanDerWaalsContact OG-CB 3.29Å; S462-E483 WeakPolarHBondContact OG-CB 3.17Å; S462-E483 WeakPolarHBondContact OG-CG 3.45Å; S462-E483 PolarHBondContact OG-N 2.74Å; S462-E483 PolarHBondContact OG-OE2 2.86Å
463	P	90.9	Very high	90.4	Very high	18 Å²	18	26.8 Å²	26.8	12%	0.117	15%	0.146	C	C	.	.			trans	-50.2	133.1	-179.3	-26.5	29.3	0	0	0	113.6	Y268 T427 T465 A481 L482	Y268-P463 VanDerWaalsContact CB-CG 3.49Å; Y268-P463 HydrophobicContact CD1-CB 3.76Å; Y268-P463 HydrophobicContact CD1-CG 4.22Å; Y268-P463 HydrophobicContact CD2-CB 4.35Å; Y268-P463 HydrophobicContact CD2-CG 4.37Å; Y268-P463 HydrophobicContact CE1-CB 4.26Å; Y268-P463 HydrophobicContact CG-CB 3.8Å; Y268-P463 HydrophobicContact CG-CG 3.8Å; T427-P463 WeakPolarHBondContact O-CA 3.36Å; T427-P463 WeakPolarHBondContact O-CD 3.42Å; T427-P463 WeakPolarHBondContact O-CG 3.33Å; P463-T465 PolarHBondContact O-N 3.44Å; P463-A481 CarbonylContact O-C 3.24Å; P463-A481 WeakPolarHBondContact O-CA 3.5Å; P463-A481 VanDerWaalsContact O-CB 3.31Å; P463-A481 WeakPolarHBondContact O-CB 3.32Å; P463-L482 HydrophobicContact CB-CB 4.23Å; P463-L482 HydrophobicContact CG-CB 4.3Å; P463-L482 HydrophobicContact CG-CD2 3.99Å; P463-L482 PolarHBondContact O-N 3.1Å
464	I	93.3	Very high	89.8	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	129.7	172.6	-51.5	-56.4	0	0	0	109	T410 Y426 Y430 V431 T460 S462 L467 V479 Q480 A481	T410-I464 WeakPolarHBondContact CB-O 3.26Å; T410-I464 PolarHBondContact OG1-O 2.91Å; Y426-I464 PolarHBondContact O-N 2.89Å; Y426-I464 VanDerWaalsContact O-N 3.11Å; Y430-I464 WeakPolarHBondContact O-CG1 3.44Å; V431-I464 HydrophobicContact CG2-CD1 4.14Å; V431-I464 HydrophobicContact CG2-CG1 4.11Å; T460-I464 HydrophobicContact CG2-CD1 4.19Å; T460-I464 WeakPolarHBondContact OG1-CD1 3.45Å; S462-I464 PolarHBondContact O-N 3.07Å; I464-L467 HydrophobicContact CG2-CD2 3.86Å; I464-L467 HydrophobicContact CG2-CG 3.95Å; I464-V479 HydrophobicContact CD1-CG1 3.73Å; I464-V479 HydrophobicContact CG2-CG1 4.16Å; I464-Q480 WeakPolarHBondContact CG2-O 3.38Å; I464-A481 HydrophobicContact CD1-CB 4.36Å
465	T	90.3	Very high	89.3	Confident	24 Å²	24	27 Å²	27	15%	0.147	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-26	178.8	62	0	0	0	0	112.8	P463 Q480 L482 R515	P463-T465 PolarHBondContact O-N 3.44Å; T465-Q480 PolarHBondContact N-O 2.77Å; T465-Q480 PolarHBondContact OG1-O 3.45Å; T465-L482 HydrophobicContact CG2-CB 4.08Å; T465-L482 HydrophobicContact CG2-CD1 4.19Å; T465-R515 PolarHBondContact OG1-O 2.67Å
466	S	92.5	Very high	89.1	Confident	6 Å²	6	25.6 Å²	25.6	4%	0.042	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	143.9	-179.1	-160.2	0	0	0	0	111.8	Q480 G517	S466-Q480 PolarHBondContact N-O 3.29Å; S466-Q480 PolarHBondContact O-N 3.14Å; S466-G517 PolarHBondContact OG-N 3.21Å; S466-G517 PolarHBondContact OG-O 2.81Å
467	L	94.8	Very high	89.2	Confident	9 Å²	9	23.7 Å²	23.7	5%	0.047	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	139.3	176.5	-71.4	-177.1	0	0	0	108.9	H413 F423 G425 V431 I464 L477 Y478 V479	H413-L467 HydrophobicContact CB-CB 3.78Å; H413-L467 PolarHBondContact ND1-O 3.13Å; F423-L467 HydrophobicContact CB-CD1 4.14Å; G425-L467 VanDerWaalsContact N-CD1 3.33Å; V431-L467 HydrophobicContact CG2-CD2 4.22Å; I464-L467 HydrophobicContact CG2-CD2 3.86Å; I464-L467 HydrophobicContact CG2-CG 3.95Å; L467-L477 HydrophobicContact CD2-CD2 4.09Å; L467-L477 HydrophobicContact CD2-CG 4.4Å; L467-Y478 WeakPolarHBondContact CA-O 3.43Å; L467-V479 HydrophobicContact CD2-CB 4.04Å; L467-V479 HydrophobicContact CD2-CG1 3.8Å; L467-V479 HydrophobicContact CD2-CG2 3.72Å
468	S	94.2	Very high	89.2	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.007	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	120.1	170.7	-156.7	0	0	0	0	111.8	Y478 W519	S468-Y478 PolarHBondContact N-O 3.15Å; S468-Y478 VanDerWaalsContact O-CB 3.31Å; S468-Y478 WeakPolarHBondContact O-CB 3.31Å; S468-Y478 PolarHBondContact O-N 3.43Å; S468-W519 PolarHBondContact OG-N 2.7Å
469	L	93.4	Very high	89.3	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	145	178.3	-172.2	63.1	0	0	0	109.5	H413 R415 F418 F423 L477	H413-L469 PolarHBondContact CD2-N 3.39Å; H413-L469 PolarHBondContact NE2-N 2.93Å; R415-L469 HydrophobicContact CB-CD2 4.31Å; R415-L469 HydrophobicContact CG-CB 4.35Å; R415-L469 PolarHBondContact NE-O 2.99Å; R415-L469 PolarHBondContact NH2-O 3.38Å; F418-L469 HydrophobicContact CB-CD2 4.16Å; F418-L469 HydrophobicContact CD2-CD2 3.76Å; F418-L469 HydrophobicContact CD2-CG 4.46Å; F418-L469 HydrophobicContact CG-CD2 4.31Å; F423-L469 HydrophobicContact CD2-CD1 4.03Å; F423-L469 HydrophobicContact CD2-CD2 4.25Å; F423-L469 HydrophobicContact CE2-CD1 3.42Å; F423-L469 VanDerWaalsContact CE2-CD1 3.42Å; F423-L469 HydrophobicContact CE2-CD2 3.78Å; F423-L469 HydrophobicContact CE2-CG 4.15Å; F423-L469 HydrophobicContact CZ-CD1 4.09Å; L469-L477 HydrophobicContact CB-CD1 4.38Å; L469-L477 HydrophobicContact CD1-CD1 4.35Å
470	H	90.8	Very high	89.2	Confident	1 Å²	1	18.4 Å²	18.4	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	127.5	172.8	-174.2	-105.9	0	0	0	110.4	F418 L472 N473 M476 W519 G523	F418-H470 WeakPolarHBondContact CE2-O 3.4Å; H470-L472 VanDerWaalsContact C-N 3.28Å; H470-L472 PolarHBondContact ND1-N 2.87Å; H470-L472 PolarHBondContact O-N 2.93Å; H470-N473 HydrophobicContact CB-CB 4.31Å; H470-N473 WeakPolarHBondContact CB-O 3.48Å; H470-N473 VanDerWaalsContact ND1-CB 3.26Å; H470-N473 WeakPolarHBondContact ND1-CB 3.33Å; H470-N473 PolarHBondContact ND1-N 3.18Å; H470-N473 CarbonylContact O-C 3.51Å; H470-N473 PolarHBondContact O-N 3.41Å; H470-M476 HydrophobicContact CB-CB 3.85Å; H470-M476 WeakPolarHBondContact CB-O 3.39Å; H470-M476 PolarHBondContact N-O 2.65Å; H470-W519 HydrophobicContact CB-CD2 4.3Å; H470-W519 HydrophobicContact CB-CE3 3.84Å; H470-W519 HydrophobicContact CB-CH2 3.95Å; H470-W519 HydrophobicContact CB-CZ2 4.41Å; H470-W519 HydrophobicContact CB-CZ3 3.64Å; H470-W519 AromaticContact CD2-CD2 3.93Å; H470-W519 AromaticContact CD2-CE2 3.49Å; H470-W519 VanDerWaalsContact CD2-CE2 3.49Å; H470-W519 AromaticContact CD2-CH2 3.85Å; H470-W519 AromaticContact CD2-CZ2 3.45Å; H470-W519 VanDerWaalsContact CD2-CZ2 3.45Å; H470-W519 WeakPolarHBondContact CD2-CZ2 3.39Å; H470-W519 AromaticContact CD2-NE1 3.79Å; H470-G523 PolarHBondContact CD2-O 2.92Å; H470-G523 WeakPolarHBondContact NE2-CA 3.08Å; H470-G523 PolarHBondContact NE2-O 3.04Å; H470-G523 VanDerWaalsContact NE2-O 3.14Å
471	P	86.1	Confident	89.2	Confident	2 Å²	2	18.3 Å²	18.3	1%	0.013	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-30.8	-175.4	23.8	-35	0	0	0	114.3	F418 S521 G523	F418-P471 VanDerWaalsContact CE2-O 3.25Å; F418-P471 WeakPolarHBondContact CE2-O 3.37Å; P471-S521 VanDerWaalsContact CB-O 3.3Å; P471-S521 WeakPolarHBondContact CB-O 3.48Å; P471-S521 WeakPolarHBondContact CG-O 3.47Å; P471-G523 VanDerWaalsContact CG-CA 3.42Å
472	L	83.6	Confident	88.9	Confident	105 Å²	105	16.7 Å²	16.7	55%	0.55	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	0.5	-177.9	-49	174.4	0	0	0	113.1	H470	H470-L472 VanDerWaalsContact C-N 3.28Å; H470-L472 PolarHBondContact ND1-N 2.87Å; H470-L472 PolarHBondContact O-N 2.93Å
473	N	84	Confident	88.3	Confident	21 Å²	21	18.9 Å²	18.9	11%	0.112	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	88.7	-175.5	-175.1	-5.7	0	0	0	111.2	C15 H470 R475 M476	C15-N473 PolarHBondContact SG-ND2 3.09Å; H470-N473 HydrophobicContact CB-CB 4.31Å; H470-N473 WeakPolarHBondContact CB-O 3.48Å; H470-N473 VanDerWaalsContact ND1-CB 3.26Å; H470-N473 WeakPolarHBondContact ND1-CB 3.33Å; H470-N473 PolarHBondContact ND1-N 3.18Å; H470-N473 CarbonylContact O-C 3.51Å; H470-N473 PolarHBondContact O-N 3.41Å; N473-R475 PolarHBondContact O-N 3.2Å; N473-R475 WeakPolarHBondContact OD1-CB 3.47Å; N473-R475 PolarHBondContact OD1-N 3.21Å; N473-M476 PolarHBondContact O-N 2.94Å
474	G	83.3	Confident	87.3	Confident	4 Å²	4	20.4 Å²	20.4	4%	0.041	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	10.2	-178.3	0	0	0	0	0	116.5	F418 R421	F418-G474 VanDerWaalsContact CE2-N 3.25Å; R421-G474 WeakPolarHBondContact CD-O 3.43Å; R421-G474 VanDerWaalsContact NH1-C 3.32Å; R421-G474 PolarHBondContact NH1-O 2.65Å
475	R	81.6	Confident	86.2	Confident	99 Å²	99	21.7 Å²	21.7	37%	0.374	11%	0.105	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-27.1	170.2	-58.6	172.2	157.9	163.8	-9.9	113.1	N473 L491 D492	N473-R475 PolarHBondContact O-N 3.2Å; N473-R475 WeakPolarHBondContact OD1-CB 3.47Å; N473-R475 PolarHBondContact OD1-N 3.21Å; R475-L491 WeakPolarHBondContact O-CB 3.48Å; R475-L491 PolarHBondContact O-N 2.96Å; R475-D492 HydrophobicContact CG-CB 4.4Å; R475-D492 IonicContact CZ-OD2 2.85Å; R475-D492 IonicContact NE-OD2 2.67Å; R475-D492 PolarHBondContact NE-OD2 3.14Å; R475-D492 IonicContact NH2-OD2 2.81Å; R475-D492 PolarHBondContact NH2-OD2 3.5Å
476	M	87.4	Confident	85.8	Confident	1 Å²	1	20.5 Å²	20.5	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	115.2	-173	-74.1	-72	174.2	0	0	110.4	C15 F113 H470 N473 V488 D490 W519	C15-M476 HydrophobicContact CB-CE 4.2Å; C15-M476 WeakPolarHBondContact SG-CE 3.26Å; F113-M476 HydrophobicContact CD2-CE 4.16Å; F113-M476 HydrophobicContact CD2-SD 4.46Å; F113-M476 HydrophobicContact CE2-CG 4.32Å; F113-M476 HydrophobicContact CE2-SD 4.3Å; H470-M476 HydrophobicContact CB-CB 3.85Å; H470-M476 WeakPolarHBondContact CB-O 3.39Å; H470-M476 PolarHBondContact N-O 2.65Å; N473-M476 PolarHBondContact O-N 2.94Å; M476-V488 HydrophobicContact SD-CG1 3.88Å; M476-D490 HydrophobicContact CE-CB 3.68Å; M476-D490 WeakPolarHBondContact CE-OD2 3.43Å; M476-D490 HydrophobicContact SD-CB 4.04Å; M476-W519 HydrophobicContact CB-CH2 4.22Å; M476-W519 HydrophobicContact CB-CZ3 4.34Å
477	L	91.7	Very high	85.4	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123.6	-177.5	-175.3	67.1	0	0	0	110.9	F423 V431 L467 L469 V479 V488 W489 L491	F423-L477 HydrophobicContact CB-CD1 4.35Å; F423-L477 HydrophobicContact CB-CD2 4.26Å; F423-L477 HydrophobicContact CD1-CD2 3.9Å; F423-L477 HydrophobicContact CD2-CD1 4.25Å; F423-L477 HydrophobicContact CG-CD1 4.15Å; F423-L477 HydrophobicContact CG-CD2 4.05Å; V431-L477 HydrophobicContact CG1-CD2 3.83Å; L467-L477 HydrophobicContact CD2-CD2 4.09Å; L467-L477 HydrophobicContact CD2-CG 4.4Å; L469-L477 HydrophobicContact CB-CD1 4.38Å; L469-L477 HydrophobicContact CD1-CD1 4.35Å; L477-V479 HydrophobicContact CD2-CG2 3.77Å; L477-V479 HydrophobicContact CG-CG2 3.79Å; L477-V488 WeakPolarHBondContact O-CA 3.47Å; L477-W489 PolarHBondContact N-O 3.43Å; L477-W489 PolarHBondContact O-N 3.43Å; L477-L491 HydrophobicContact CB-CD1 3.76Å; L477-L491 HydrophobicContact CB-CG 4.21Å; L477-L491 HydrophobicContact CD2-CD1 3.8Å; L477-L491 HydrophobicContact CG-CD1 4.4Å
478	Y	91.6	Very high	85	Confident	1 Å²	1	19.8 Å²	19.8	0%	0.004	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	129.7	161.1	174.9	-103	0	0	0	109.3	L467 S468 Q480 G487 V488 W506 M513 L526	L467-Y478 WeakPolarHBondContact CA-O 3.43Å; S468-Y478 PolarHBondContact N-O 3.15Å; S468-Y478 VanDerWaalsContact O-CB 3.31Å; S468-Y478 WeakPolarHBondContact O-CB 3.31Å; S468-Y478 PolarHBondContact O-N 3.43Å; Y478-Q480 HydrophobicContact CE1-CB 3.84Å; Y478-Q480 VanDerWaalsContact OH-CD 3.26Å; Y478-Q480 PolarHBondContact OH-OE1 2.86Å; Y478-G487 WeakPolarHBondContact CA-O 3.26Å; Y478-G487 WeakPolarHBondContact CD2-O 3.23Å; Y478-V488 HydrophobicContact CD2-CG2 4.36Å; Y478-W506 HydrophobicContact CD2-CE3 4.43Å; Y478-W506 HydrophobicContact CD2-CH2 4.29Å; Y478-W506 AromaticContact CD2-CZ3 3.58Å; Y478-W506 HydrophobicContact CD2-CZ3 3.58Å; Y478-W506 AromaticContact CE2-CE3 3.91Å; Y478-W506 HydrophobicContact CE2-CE3 3.91Å; Y478-W506 HydrophobicContact CE2-CH2 4.48Å; Y478-W506 AromaticContact CE2-CZ3 3.5Å; Y478-W506 HydrophobicContact CE2-CZ3 3.5Å; Y478-M513 HydrophobicContact CE2-CE 4.47Å; Y478-M513 WeakPolarHBondContact OH-CE 3Å; Y478-L526 HydrophobicContact CD1-CD1 4.12Å; Y478-L526 HydrophobicContact CD1-CD2 4.2Å; Y478-L526 HydrophobicContact CD2-CD1 3.59Å; Y478-L526 HydrophobicContact CD2-CD2 3.71Å; Y478-L526 HydrophobicContact CD2-CG 4.3Å; Y478-L526 HydrophobicContact CE1-CD2 3.89Å; Y478-L526 HydrophobicContact CE2-CD1 4.17Å; Y478-L526 HydrophobicContact CE2-CD2 3.36Å; Y478-L526 HydrophobicContact CE2-CG 4.4Å; Y478-L526 HydrophobicContact CG-CD1 3.56Å; Y478-L526 HydrophobicContact CG-CD2 4.12Å; Y478-L526 HydrophobicContact CG-CG 4.48Å; Y478-L526 VanDerWaalsContact CZ-CD2 3.46Å
479	V	92	Very high	84.6	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	135.9	176.8	-174.2	0	0	0	0	109	V431 L459 I464 L467 L477 G486 G487 W489	V431-V479 HydrophobicContact CG2-CG1 4.03Å; V431-V479 HydrophobicContact CG2-CG2 4.4Å; L459-V479 HydrophobicContact CD1-CG2 3.98Å; I464-V479 HydrophobicContact CD1-CG1 3.73Å; I464-V479 HydrophobicContact CG2-CG1 4.16Å; L467-V479 HydrophobicContact CD2-CB 4.04Å; L467-V479 HydrophobicContact CD2-CG1 3.8Å; L467-V479 HydrophobicContact CD2-CG2 3.72Å; L477-V479 HydrophobicContact CD2-CG2 3.77Å; L477-V479 HydrophobicContact CG-CG2 3.79Å; V479-G486 WeakPolarHBondContact O-CA 3.39Å; V479-G487 PolarHBondContact N-O 2.81Å; V479-G487 PolarHBondContact O-N 3.27Å; V479-W489 HydrophobicContact CB-CE3 3.86Å; V479-W489 HydrophobicContact CB-CH2 4.33Å; V479-W489 HydrophobicContact CB-CZ3 3.57Å; V479-W489 HydrophobicContact CG1-CZ3 4.49Å; V479-W489 HydrophobicContact CG2-CE3 3.87Å; V479-W489 HydrophobicContact CG2-CZ3 4.12Å
480	Q	89.1	Confident	84.1	Confident	3 Å²	3	20.1 Å²	20.1	1%	0.014	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	140.1	175.6	-168.6	178.4	-7.4	0	0	110.7	I464 T465 S466 Y478 G514	I464-Q480 WeakPolarHBondContact CG2-O 3.38Å; T465-Q480 PolarHBondContact N-O 2.77Å; T465-Q480 PolarHBondContact OG1-O 3.45Å; S466-Q480 PolarHBondContact N-O 3.29Å; S466-Q480 PolarHBondContact O-N 3.14Å; Y478-Q480 HydrophobicContact CE1-CB 3.84Å; Y478-Q480 VanDerWaalsContact OH-CD 3.26Å; Y478-Q480 PolarHBondContact OH-OE1 2.86Å; Q480-G514 PolarHBondContact NE2-O 2.93Å
481	A	87	Confident	83.5	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	172.2	-179.7	0	0	0	0	0	113.3	T460 S462 P463 I464 E483 R484 V485	T460-A481 HydrophobicContact CG2-CB 3.66Å; T460-A481 WeakPolarHBondContact OG1-CB 3.38Å; S462-A481 WeakPolarHBondContact OG-CB 3.3Å; P463-A481 CarbonylContact O-C 3.24Å; P463-A481 WeakPolarHBondContact O-CA 3.5Å; P463-A481 VanDerWaalsContact O-CB 3.31Å; P463-A481 WeakPolarHBondContact O-CB 3.32Å; I464-A481 HydrophobicContact CD1-CB 4.36Å; A481-E483 HydrophobicContact CB-CG 4.28Å; A481-E483 PolarHBondContact O-N 3.46Å; A481-R484 VanDerWaalsContact O-CA 3.27Å; A481-R484 WeakPolarHBondContact O-CA 3.48Å; A481-R484 PolarHBondContact O-N 3.15Å; A481-V485 PolarHBondContact N-O 3.28Å
482	L	82.4	Confident	83.1	Confident	36 Å²	36	25 Å²	25	19%	0.188	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-24	-175.9	-171.8	66.9	0	0	0	113.6	Y268 P463 T465 R484	Y268-L482 HydrophobicContact CD2-CD1 4.21Å; Y268-L482 HydrophobicContact CD2-CD2 3.72Å; Y268-L482 HydrophobicContact CE2-CD1 3.94Å; Y268-L482 HydrophobicContact CE2-CD2 4.29Å; Y268-L482 HydrophobicContact CG-CD2 4.47Å; P463-L482 HydrophobicContact CB-CB 4.23Å; P463-L482 HydrophobicContact CG-CB 4.3Å; P463-L482 HydrophobicContact CG-CD2 3.99Å; P463-L482 PolarHBondContact O-N 3.1Å; T465-L482 HydrophobicContact CG2-CB 4.08Å; T465-L482 HydrophobicContact CG2-CD1 4.19Å; L482-R484 WeakPolarHBondContact O-CG 3.5Å; L482-R484 PolarHBondContact O-N 3.3Å
483	E	75.1	Confident	82.6	Confident	65 Å²	65	20.4 Å²	20.4	30%	0.304	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-0.5	165.9	67.7	-153.7	-156.2	0	0	113.3	S461 S462 A481 V485	S461-E483 PolarHBondContact OG-OE1 2.79Å; S461-E483 PolarHBondContact OG-OE2 2.85Å; S462-E483 VanDerWaalsContact CB-OE2 3.23Å; S462-E483 WeakPolarHBondContact CB-OE2 3.38Å; S462-E483 PolarHBondContact N-OE2 2.79Å; S462-E483 VanDerWaalsContact OG-CB 3.29Å; S462-E483 WeakPolarHBondContact OG-CB 3.17Å; S462-E483 WeakPolarHBondContact OG-CG 3.45Å; S462-E483 PolarHBondContact OG-N 2.74Å; S462-E483 PolarHBondContact OG-OE2 2.86Å; A481-E483 HydrophobicContact CB-CG 4.28Å; A481-E483 PolarHBondContact O-N 3.46Å; E483-V485 HydrophobicContact CG-CB 4Å; E483-V485 HydrophobicContact CG-CG2 3.98Å; E483-V485 PolarHBondContact O-N 3.2Å
484	R	68.3	Low	81.9	Confident	51 Å²	51	24.1 Å²	24.1	19%	0.192	13%	0.125	C	C	.	.			trans	57.3	27.1	177.7	-52.4	-177.4	176.4	-142.9	10.6	113.9	A481 L482 F512 M513 E531	A481-R484 VanDerWaalsContact O-CA 3.27Å; A481-R484 WeakPolarHBondContact O-CA 3.48Å; A481-R484 PolarHBondContact O-N 3.15Å; L482-R484 WeakPolarHBondContact O-CG 3.5Å; L482-R484 PolarHBondContact O-N 3.3Å; R484-F512 HydrophobicContact CB-CB 3.79Å; R484-F512 HydrophobicContact CB-CD1 4.2Å; R484-F512 HydrophobicContact CB-CG 4.31Å; R484-F512 VanDerWaalsContact CD-CG 3.49Å; R484-F512 HydrophobicContact CG-CB 4.17Å; R484-M513 WeakPolarHBondContact CD-O 3.45Å; R484-E531 IonicContact CZ-OE2 2.79Å; R484-E531 IonicContact NH1-OE2 2.78Å; R484-E531 PolarHBondContact NH1-OE2 2.77Å; R484-E531 IonicContact NH2-OE2 2.73Å
485	V	71.7	Confident	81.2	Confident	26 Å²	26	27.3 Å²	27.3	16%	0.158	14%	0.143	C	C	.	.			trans	-93.1	126	166.9	176.8	0	0	0	0	108.3	A481 E483 N507	A481-V485 PolarHBondContact N-O 3.28Å; E483-V485 HydrophobicContact CG-CB 4Å; E483-V485 HydrophobicContact CG-CG2 3.98Å; E483-V485 PolarHBondContact O-N 3.2Å; V485-N507 WeakPolarHBondContact CG1-OD1 3.39Å; V485-N507 WeakPolarHBondContact CG2-OD1 3.42Å
486	G	80.4	Confident	80.7	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	156.5	169.4	0	0	0	0	0	111.4	V479 W506	V479-G486 WeakPolarHBondContact O-CA 3.39Å; G486-W506 VanDerWaalsContact C-CE3 3.42Å; G486-W506 PolarHBondContact O-N 2.86Å
487	G	83.8	Confident	80	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	175.8	168.4	0	0	0	0	0	113.1	Y478 V479 W489 I504 W506	Y478-G487 WeakPolarHBondContact CA-O 3.26Å; Y478-G487 WeakPolarHBondContact CD2-O 3.23Å; V479-G487 PolarHBondContact N-O 2.81Å; V479-G487 PolarHBondContact O-N 3.27Å; G487-W489 VanDerWaalsContact C-CE3 3.48Å; G487-W489 WeakPolarHBondContact O-CZ3 3.49Å; G487-I504 CarbonylContact C-O 3.47Å; G487-I504 WeakPolarHBondContact CA-O 3.39Å; G487-W506 VanDerWaalsContact C-CZ3 3.42Å; G487-W506 VanDerWaalsContact CA-CZ3 3.43Å
488	V	86.7	Confident	79.4	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	136.2	169.4	163.1	0	0	0	0	109.2	M476 L477 Y478 G502 E503 I504 W506 W519	M476-V488 HydrophobicContact SD-CG1 3.88Å; L477-V488 WeakPolarHBondContact O-CA 3.47Å; Y478-V488 HydrophobicContact CD2-CG2 4.36Å; V488-G502 CarbonylContact O-C 3.06Å; V488-E503 PolarHBondContact O-N 3.17Å; V488-I504 PolarHBondContact N-O 3.11Å; V488-I504 PolarHBondContact O-N 2.97Å; V488-W506 HydrophobicContact CB-CH2 4.29Å; V488-W506 HydrophobicContact CG2-CH2 3.63Å; V488-W506 HydrophobicContact CG2-CZ3 4.09Å; V488-W519 HydrophobicContact CG1-CH2 4.11Å; V488-W519 HydrophobicContact CG2-CH2 3.78Å; V488-W519 HydrophobicContact CG2-CZ3 4.06Å
489	W	86.7	Confident	78.5	Confident	1 Å²	1	32.1 Å²	32.1	0%	0.004	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	140.3	177.4	-73	-108.7	0	0	0	109.9	L459 T460 L477 V479 G487 L491 T498	L459-W489 HydrophobicContact CB-CD2 4.5Å; L459-W489 HydrophobicContact CB-CZ2 4.07Å; L459-W489 HydrophobicContact CD1-CB 4.46Å; L459-W489 HydrophobicContact CD1-CD2 4.25Å; L459-W489 HydrophobicContact CD1-CG 4.1Å; L459-W489 HydrophobicContact CD2-CG 4.38Å; L459-W489 WeakPolarHBondContact O-CZ2 3.12Å; T460-W489 HydrophobicContact CG2-CH2 4.44Å; L477-W489 PolarHBondContact N-O 3.43Å; L477-W489 PolarHBondContact O-N 3.43Å; V479-W489 HydrophobicContact CB-CE3 3.86Å; V479-W489 HydrophobicContact CB-CH2 4.33Å; V479-W489 HydrophobicContact CB-CZ3 3.57Å; V479-W489 HydrophobicContact CG1-CZ3 4.49Å; V479-W489 HydrophobicContact CG2-CE3 3.87Å; V479-W489 HydrophobicContact CG2-CZ3 4.12Å; G487-W489 VanDerWaalsContact C-CE3 3.48Å; G487-W489 WeakPolarHBondContact O-CZ3 3.49Å; W489-L491 HydrophobicContact CB-CD2 4.23Å; W489-T498 PolarHBondContact NE1-O 3.06Å
490	D	83.4	Confident	77.7	Confident	6 Å²	6	39.2 Å²	39.2	3%	0.032	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	117.7	162.2	-168.1	-29.4	0	0	0	107.9	M476 D492 D493 C496 E503	M476-D490 HydrophobicContact CE-CB 3.68Å; M476-D490 WeakPolarHBondContact CE-OD2 3.43Å; M476-D490 HydrophobicContact SD-CB 4.04Å; D490-D492 PolarHBondContact OD1-N 3.26Å; D490-D493 HydrophobicContact CB-CB 4.17Å; D490-D493 PolarHBondContact O-N 2.85Å; D490-C496 WeakPolarHBondContact O-CB 3.25Å; D490-E503 HydrophobicContact CB-CG 4.46Å
491	L	78	Confident	77.1	Confident	16 Å²	16	39.3 Å²	39.3	8%	0.084	21%	0.213	C	C	.	.	S	Bend	trans	-84.8	-9.6	-175.3	-61.5	179.5	0	0	0	113.7	F423 K455 L459 R475 L477 W489	F423-L491 HydrophobicContact CD1-CD1 3.83Å; F423-L491 HydrophobicContact CE1-CD1 3.19Å; F423-L491 HydrophobicContact CZ-CD1 3.78Å; K455-L491 WeakPolarHBondContact CD-O 3.33Å; K455-L491 PolarHBondContact NZ-O 2.89Å; L459-L491 HydrophobicContact CD1-CD2 4.25Å; R475-L491 WeakPolarHBondContact O-CB 3.48Å; R475-L491 PolarHBondContact O-N 2.96Å; L477-L491 HydrophobicContact CB-CD1 3.76Å; L477-L491 HydrophobicContact CB-CG 4.21Å; L477-L491 HydrophobicContact CD2-CD1 3.8Å; L477-L491 HydrophobicContact CG-CD1 4.4Å; W489-L491 HydrophobicContact CB-CD2 4.23Å
492	D	76.3	Confident	76.6	Confident	89 Å²	89	40.1 Å²	40.1	48%	0.476	22%	0.221	S	C	.	.	S	Bend	trans	-90.3	-10.7	170.9	-75.6	24.7	0	0	0	111.4	R475 D490 S494	R475-D492 HydrophobicContact CG-CB 4.4Å; R475-D492 IonicContact CZ-OD2 2.85Å; R475-D492 IonicContact NE-OD2 2.67Å; R475-D492 PolarHBondContact NE-OD2 3.14Å; R475-D492 IonicContact NH2-OD2 2.81Å; R475-D492 PolarHBondContact NH2-OD2 3.5Å; D490-D492 PolarHBondContact OD1-N 3.26Å; D492-S494 PolarHBondContact O-N 3.44Å
493	D	73.7	Confident	76.3	Confident	10 Å²	10	39.1 Å²	39.1	5%	0.053	22%	0.216	C	C	.	.			trans	-69.1	122.2	171	-176.3	-9.2	0	0	0	110.7	S11 K455 D490 V495 C496	S11-D493 VanDerWaalsContact CB-CG 3.44Å; S11-D493 VanDerWaalsContact CB-OD2 3.25Å; S11-D493 WeakPolarHBondContact CB-OD2 3.44Å; S11-D493 VanDerWaalsContact OG-CG 3.29Å; S11-D493 PolarHBondContact OG-OD2 3.47Å; K455-D493 PolarHBondContact NZ-O 3.27Å; D490-D493 HydrophobicContact CB-CB 4.17Å; D490-D493 PolarHBondContact O-N 2.85Å; D493-V495 PolarHBondContact O-N 3.17Å; D493-V495 VanDerWaalsContact O-N 3.16Å; D493-V495 WeakPolarHBondContact OD1-CG2 3.42Å; D493-V495 PolarHBondContact OD1-N 2.99Å; D493-C496 HydrophobicContact CB-CB 3.83Å; D493-C496 PolarHBondContact O-N 3.03Å; D493-C496 PolarHBondContact OD2-SG 3Å
494	S	69.4	Low	76.5	Confident	99 Å²	99	36.8 Å²	36.8	69%	0.692	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-4.6	178.1	61.1	0	0	0	0	114.1	D492 F497	D492-S494 PolarHBondContact O-N 3.44Å; S494-F497 WeakPolarHBondContact O-CD2 3.44Å; S494-F497 WeakPolarHBondContact O-CE2 3.33Å
495	V	69.6	Low	76.9	Confident	70 Å²	70	36.6 Å²	36.6	42%	0.424	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-2.8	177.4	-150	0	0	0	0	111.7	R9 D493 F497 S501	R9-V495 PolarHBondContact NH1-O 3.05Å; R9-V495 VanDerWaalsContact NH2-CG1 3.3Å; D493-V495 PolarHBondContact O-N 3.17Å; D493-V495 VanDerWaalsContact O-N 3.16Å; D493-V495 WeakPolarHBondContact OD1-CG2 3.42Å; D493-V495 PolarHBondContact OD1-N 2.99Å; V495-F497 VanDerWaalsContact C-N 3.29Å; V495-F497 PolarHBondContact O-N 2.83Å; V495-F497 VanDerWaalsContact O-N 3.17Å; V495-S501 WeakPolarHBondContact O-CB 3.3Å
496	C	69.7	Low	76.9	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.197	C	C	.	.			trans	-87.5	56.5	175.6	-77.1	0	0	0	0	112.9	D490 D493 S501	D490-C496 WeakPolarHBondContact O-CB 3.25Å; D493-C496 HydrophobicContact CB-CB 3.83Å; D493-C496 PolarHBondContact O-N 3.03Å; D493-C496 PolarHBondContact OD2-SG 3Å; C496-S501 VanDerWaalsContact CA-OG 3.31Å; C496-S501 WeakPolarHBondContact CA-OG 3.36Å; C496-S501 PolarHBondContact SG-O 3.25Å
497	F	72.4	Confident	76.3	Confident	87 Å²	87	39.3 Å²	39.3	38%	0.382	22%	0.218	S	C	.	.			trans	-111.9	-7	-176.7	-78.6	-88.9	0	0	0	114.8	K455 S457 R458 S494 V495 S501	K455-F497 HydrophobicContact CD-CE1 4.19Å; K455-F497 HydrophobicContact CD-CZ 4.38Å; K455-F497 HydrophobicContact CG-CE1 3.98Å; K455-F497 HydrophobicContact CG-CZ 4.48Å; S457-F497 WeakPolarHBondContact OG-CD1 3.5Å; R458-F497 PolarHBondContact N-O 2.94Å; S494-F497 WeakPolarHBondContact O-CD2 3.44Å; S494-F497 WeakPolarHBondContact O-CE2 3.33Å; V495-F497 VanDerWaalsContact C-N 3.29Å; V495-F497 PolarHBondContact O-N 2.83Å; V495-F497 VanDerWaalsContact O-N 3.17Å; F497-S501 PolarHBondContact N-OG 3.16Å
498	T	79.1	Confident	75.1	Confident	70 Å²	70	40.6 Å²	40.6	43%	0.429	23%	0.226	S	C	.	.	S	Bend	trans	-124.7	164	-166.9	73.6	0	0	0	0	114	R458 W489 E500 S501	R458-T498 CarbonylContact O-C 3.58Å; R458-T498 VanDerWaalsContact O-C 3.23Å; R458-T498 WeakPolarHBondContact O-CA 3.26Å; W489-T498 PolarHBondContact NE1-O 3.06Å; T498-E500 PolarHBondContact O-N 2.76Å; T498-E500 PolarHBondContact OG1-N 3.34Å; T498-S501 PolarHBondContact N-OG 2.85Å; T498-S501 PolarHBondContact O-N 3.32Å; T498-S501 VanDerWaalsContact O-N 3.13Å; T498-S501 PolarHBondContact O-OG 2.91Å; T498-S501 PolarHBondContact OG1-N 3.04Å
499	S	73.9	Confident	73.5	Confident	45 Å²	45	44.3 Å²	44.3	32%	0.315	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	22.7	169.6	62.8	0	0	0	0	114.8	R458 L459 R505	R458-S499 PolarHBondContact O-N 2.74Å; L459-S499 VanDerWaalsContact O-CA 3.25Å; L459-S499 WeakPolarHBondContact O-CA 3.12Å; S499-R505 PolarHBondContact O-NH1 3.28Å; S499-R505 PolarHBondContact O-NH2 2.97Å
500	E	75.4	Confident	71.9	Confident	149 Å²	149	50.5 Å²	50.5	70%	0.696	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.6	-4.9	164.6	-65.1	-165.6	174.3	0	0	113.4	T498	T498-E500 PolarHBondContact O-N 2.76Å; T498-E500 PolarHBondContact OG1-N 3.34Å
501	S	77.1	Confident	70.8	Confident	5 Å²	5	50.7 Å²	50.7	4%	0.035	28%	0.28	C	S	.	.			trans	-96.7	9.3	-167.1	66.2	0	0	0	0	115.6	V495 C496 F497 T498	V495-S501 WeakPolarHBondContact O-CB 3.3Å; C496-S501 VanDerWaalsContact CA-OG 3.31Å; C496-S501 WeakPolarHBondContact CA-OG 3.36Å; C496-S501 PolarHBondContact SG-O 3.25Å; F497-S501 PolarHBondContact N-OG 3.16Å; T498-S501 PolarHBondContact N-OG 2.85Å; T498-S501 PolarHBondContact O-N 3.32Å; T498-S501 VanDerWaalsContact O-N 3.13Å; T498-S501 PolarHBondContact O-OG 2.91Å; T498-S501 PolarHBondContact OG1-N 3.04Å
502	G	76.1	Confident	70.2	Confident	17 Å²	17	53.6 Å²	53.6	18%	0.175	29%	0.293	C	S	.	.			trans	-64.7	134.2	179.5	0	0	0	0	0	111.8	V488 I504	V488-G502 CarbonylContact O-C 3.06Å; G502-I504 VanDerWaalsContact C-N 3.27Å; G502-I504 PolarHBondContact O-N 3.41Å
503	E	75.6	Confident	69.9	Low	16 Å²	16	49.5 Å²	49.5	8%	0.075	27%	0.271	C	S	.	.	S	Bend	trans	-62.8	-35.6	176.7	-81	-65.8	157.8	0	0	111.8	S11 V488 D490	S11-E503 PolarHBondContact OG-OE1 2.86Å; V488-E503 PolarHBondContact O-N 3.17Å; D490-E503 HydrophobicContact CB-CG 4.46Å
504	I	78.5	Confident	69.7	Low	15 Å²	15	49.2 Å²	49.2	8%	0.077	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	143	169.6	-54.3	-177.3	0	0	0	108.7	F113 G487 V488 G502 W506 P563	F113-I504 HydrophobicContact CD1-CD1 3.75Å; F113-I504 HydrophobicContact CE1-CD1 3.65Å; G487-I504 CarbonylContact C-O 3.47Å; G487-I504 WeakPolarHBondContact CA-O 3.39Å; V488-I504 PolarHBondContact N-O 3.11Å; V488-I504 PolarHBondContact O-N 2.97Å; G502-I504 VanDerWaalsContact C-N 3.27Å; G502-I504 PolarHBondContact O-N 3.41Å; I504-W506 HydrophobicContact CB-CH2 4.41Å; I504-W506 HydrophobicContact CB-CZ2 4.09Å; I504-W506 HydrophobicContact CG2-CD2 4.41Å; I504-W506 HydrophobicContact CG2-CH2 4.16Å; I504-W506 HydrophobicContact CG2-CZ2 3.41Å; I504-W506 VanDerWaalsContact CG2-CZ2 3.41Å; I504-P563 HydrophobicContact CD1-CB 4.33Å
505	R	76.6	Confident	69.9	Low	48 Å²	48	49.1 Å²	49.1	18%	0.181	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	143.8	174.1	-71.2	-175.7	143.3	-158.1	-12.3	112.2	L459 S499	L459-R505 PolarHBondContact O-NH2 2.82Å; S499-R505 PolarHBondContact O-NH1 3.28Å; S499-R505 PolarHBondContact O-NH2 2.97Å
506	W	72.9	Confident	70.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	101.9	-179.2	-58.4	-68.3	0	0	0	110.3	M1 Y478 G486 G487 V488 I504 P508 M513 F561 P563 P566	M1-W506 HydrophobicContact SD-CB 4.12Å; M1-W506 HydrophobicContact SD-CG 4.21Å; Y478-W506 HydrophobicContact CD2-CE3 4.43Å; Y478-W506 HydrophobicContact CD2-CH2 4.29Å; Y478-W506 AromaticContact CD2-CZ3 3.58Å; Y478-W506 HydrophobicContact CD2-CZ3 3.58Å; Y478-W506 AromaticContact CE2-CE3 3.91Å; Y478-W506 HydrophobicContact CE2-CE3 3.91Å; Y478-W506 HydrophobicContact CE2-CH2 4.48Å; Y478-W506 AromaticContact CE2-CZ3 3.5Å; Y478-W506 HydrophobicContact CE2-CZ3 3.5Å; G486-W506 VanDerWaalsContact C-CE3 3.42Å; G486-W506 PolarHBondContact O-N 2.86Å; G487-W506 VanDerWaalsContact C-CZ3 3.42Å; G487-W506 VanDerWaalsContact CA-CZ3 3.43Å; V488-W506 HydrophobicContact CB-CH2 4.29Å; V488-W506 HydrophobicContact CG2-CH2 3.63Å; V488-W506 HydrophobicContact CG2-CZ3 4.09Å; I504-W506 HydrophobicContact CB-CH2 4.41Å; I504-W506 HydrophobicContact CB-CZ2 4.09Å; I504-W506 HydrophobicContact CG2-CD2 4.41Å; I504-W506 HydrophobicContact CG2-CH2 4.16Å; I504-W506 HydrophobicContact CG2-CZ2 3.41Å; I504-W506 VanDerWaalsContact CG2-CZ2 3.41Å; W506-P508 WeakPolarHBondContact O-CD 3.4Å; W506-M513 HydrophobicContact CB-SD 3.81Å; W506-F561 HydrophobicContact CD2-CE2 4.45Å; W506-P563 HydrophobicContact CH2-CB 4.15Å; W506-P563 HydrophobicContact CZ2-CB 3.71Å; W506-P566 VanDerWaalsContact CD1-CG 3.41Å
507	N	68.3	Low	71.3	Confident	83 Å²	83	46.7 Å²	46.7	44%	0.444	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	111.5	161.9	-72.6	5.6	0	0	0	107.8	T2 V485	T2-N507 PolarHBondContact N-O 2.72Å; T2-N507 PolarHBondContact OG1-O 3.03Å; V485-N507 WeakPolarHBondContact CG1-OD1 3.39Å; V485-N507 WeakPolarHBondContact CG2-OD1 3.42Å
508	P	58.8	Low	72.1	Confident	27 Å²	27	43.6 Å²	43.6	18%	0.175	23%	0.225	C	C	.	.			trans	-63.9	134.6	168.9	24.9	-29.9	0	0	0	110	M1 W506 G511 M513	M1-P508 HydrophobicContact CG-CB 4.36Å; W506-P508 WeakPolarHBondContact O-CD 3.4Å; P508-G511 WeakPolarHBondContact CB-O 3.47Å; P508-G511 WeakPolarHBondContact CG-O 3.48Å; P508-M513 HydrophobicContact CG-CG 4.4Å
509	V	52.1	Low	72.5	Confident	78 Å²	78	40.5 Å²	40.5	47%	0.473	21%	0.206	S	C	.	.	S	Bend	trans	-79.5	-31.2	178.5	-173.5	0	0	0	0	110.7	T2	T2-V509 HydrophobicContact CG2-CG2 3.59Å; T2-V509 WeakPolarHBondContact OG1-CG2 3.18Å
510	H	52.3	Low	73	Confident	131 Å²	131	38.4 Å²	38.4	61%	0.606	19%	0.191	S	C	*	.	S	Bend	trans	-137.6	120.9	-178.8	-58.1	-50.7	0	0	0	108.4	R530	H510-R530 PolarHBondContact O-NE 3.33Å
511	G	60.9	Low	73.1	Confident	9 Å²	9	32.9 Å²	32.9	9%	0.093	17%	0.169	C	C	.	.	S	Bend	trans	76.9	-163.6	-169.7	0	0	0	0	0	113.2	P508 E531	P508-G511 WeakPolarHBondContact CB-O 3.47Å; P508-G511 WeakPolarHBondContact CG-O 3.48Å; G511-E531 CarbonylContact C-O 3.55Å; G511-E531 WeakPolarHBondContact CA-O 3.39Å
512	F	66.3	Low	72.9	Confident	78 Å²	78	34 Å²	34	34%	0.342	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	167.2	-176	-55.9	-70.8	0	0	0	111.3	R484 R530 E531 W533	R484-F512 HydrophobicContact CB-CB 3.79Å; R484-F512 HydrophobicContact CB-CD1 4.2Å; R484-F512 HydrophobicContact CB-CG 4.31Å; R484-F512 VanDerWaalsContact CD-CG 3.49Å; R484-F512 HydrophobicContact CG-CB 4.17Å; F512-R530 WeakPolarHBondContact O-CA 3.48Å; F512-E531 PolarHBondContact N-O 2.75Å; F512-E531 PolarHBondContact O-N 2.79Å; F512-W533 HydrophobicContact CD2-CB 4.23Å; F512-W533 HydrophobicContact CE2-CB 3.6Å; F512-W533 HydrophobicContact CE2-CG 4.07Å; F512-W533 HydrophobicContact CZ-CB 4.38Å; F512-W533 HydrophobicContact CZ-CG 4.39Å
513	M	68.7	Low	72.9	Confident	3 Å²	3	33.2 Å²	33.2	2%	0.015	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	152.6	163.4	-61.1	-175.7	67.2	0	0	110.3	M1 Y478 R484 W506 P508 S529 F561	M1-M513 HydrophobicContact CE-CE 4.28Å; M1-M513 HydrophobicContact CE-CG 3.96Å; M1-M513 HydrophobicContact CE-SD 4.11Å; Y478-M513 HydrophobicContact CE2-CE 4.47Å; Y478-M513 WeakPolarHBondContact OH-CE 3Å; R484-M513 WeakPolarHBondContact CD-O 3.45Å; W506-M513 HydrophobicContact CB-SD 3.81Å; P508-M513 HydrophobicContact CG-CG 4.4Å; M513-S529 WeakPolarHBondContact CA-O 3.49Å; M513-F561 HydrophobicContact CE-CE1 4.47Å; M513-F561 HydrophobicContact CE-CE2 4.35Å; M513-F561 HydrophobicContact CE-CZ 3.66Å
514	G	69.1	Low	72.7	Confident	3 Å²	3	33.9 Å²	33.9	3%	0.031	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	-171.8	178.7	0	0	0	0	0	115.5	Q480 S529	Q480-G514 PolarHBondContact NE2-O 2.93Å; G514-S529 WeakPolarHBondContact CA-OG 3.1Å; G514-S529 PolarHBondContact N-O 2.87Å
515	R	73.6	Confident	72.7	Confident	97 Å²	97	33.5 Å²	33.5	37%	0.366	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	-41.4	179.3	-164.9	179.5	-175.4	-154	1.9	114.2	T465	T465-R515 PolarHBondContact OG1-O 2.67Å
516	E	83.3	Confident	72.9	Confident	19 Å²	19	31.2 Å²	31.2	9%	0.089	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	141.2	-174.9	-162	168.2	-139.1	0	0	110.1	S583 V584 K777 R779	E516-S583 WeakPolarHBondContact OE2-CA 3.47Å; E516-S583 WeakPolarHBondContact OE2-CB 3.35Å; E516-S583 PolarHBondContact OE2-OG 2.97Å; E516-V584 HydrophobicContact CB-CG1 4.2Å; E516-V584 HydrophobicContact CG-CG1 4.05Å; E516-V584 PolarHBondContact OE2-N 3.13Å; E516-K777 IonicContact OE1-NZ 2.68Å; E516-K777 PolarHBondContact OE1-NZ 3.09Å; E516-R779 IonicContact OE1-CZ 3.94Å; E516-R779 IonicContact OE1-NH2 3.15Å; E516-R779 PolarHBondContact OE1-NH2 3.07Å; E516-R779 IonicContact OE2-NH1 2.74Å
517	G	85.8	Confident	73.4	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	128.6	176.5	0	0	0	0	0	111	S466 V527	S466-G517 PolarHBondContact OG-N 3.21Å; S466-G517 PolarHBondContact OG-O 2.81Å; G517-V527 CarbonylContact C-O 3.51Å; G517-V527 VanDerWaalsContact CA-O 3.27Å; G517-V527 WeakPolarHBondContact CA-O 3.44Å
518	I	89.6	Confident	74.1	Confident	22 Å²	22	27.5 Å²	27.5	11%	0.113	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.7	-172	63.6	172	0	0	0	112.2	L526 V527 V584 F586 L593	I518-L526 WeakPolarHBondContact O-CA 3.47Å; I518-V527 HydrophobicContact CG1-CB 4.27Å; I518-V527 PolarHBondContact N-O 3.32Å; I518-V527 PolarHBondContact O-N 2.93Å; I518-V584 HydrophobicContact CD1-CG1 4.06Å; I518-V584 HydrophobicContact CD1-CG2 4.01Å; I518-V584 HydrophobicContact CG1-CG1 3.98Å; I518-V584 HydrophobicContact CG1-CG2 4.45Å; I518-V584 HydrophobicContact CG2-CG1 3.97Å; I518-F586 HydrophobicContact CD1-CB 3.89Å; I518-L593 HydrophobicContact CD1-CD1 4.2Å
519	W	88.5	Confident	75	Confident	5 Å²	5	26.4 Å²	26.4	2%	0.019	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	123.9	164	-124	-44.7	0	0	0	108.9	F113 M117 R415 S468 H470 M476 V488 G523 L526 P563	F113-W519 HydrophobicContact CZ-CH2 4.3Å; F113-W519 HydrophobicContact CZ-CZ2 4.17Å; M117-W519 HydrophobicContact CE-CZ2 4.5Å; R415-W519 PolarHBondContact NH2-O 3.35Å; S468-W519 PolarHBondContact OG-N 2.7Å; H470-W519 HydrophobicContact CB-CD2 4.3Å; H470-W519 HydrophobicContact CB-CE3 3.84Å; H470-W519 HydrophobicContact CB-CH2 3.95Å; H470-W519 HydrophobicContact CB-CZ2 4.41Å; H470-W519 HydrophobicContact CB-CZ3 3.64Å; H470-W519 AromaticContact CD2-CD2 3.93Å; H470-W519 AromaticContact CD2-CE2 3.49Å; H470-W519 VanDerWaalsContact CD2-CE2 3.49Å; H470-W519 AromaticContact CD2-CH2 3.85Å; H470-W519 AromaticContact CD2-CZ2 3.45Å; H470-W519 VanDerWaalsContact CD2-CZ2 3.45Å; H470-W519 WeakPolarHBondContact CD2-CZ2 3.39Å; H470-W519 AromaticContact CD2-NE1 3.79Å; M476-W519 HydrophobicContact CB-CH2 4.22Å; M476-W519 HydrophobicContact CB-CZ3 4.34Å; V488-W519 HydrophobicContact CG1-CH2 4.11Å; V488-W519 HydrophobicContact CG2-CH2 3.78Å; V488-W519 HydrophobicContact CG2-CZ3 4.06Å; W519-G523 PolarHBondContact NE1-O 2.91Å; W519-L526 HydrophobicContact CB-CD1 4.36Å; W519-L526 HydrophobicContact CD2-CD1 4.08Å; W519-L526 HydrophobicContact CE3-CD1 4.49Å; W519-L526 HydrophobicContact CG-CD1 4.04Å; W519-P563 HydrophobicContact CZ2-CG 4.36Å
520	I	83.7	Confident	76	Confident	2 Å²	2	26.7 Å²	26.7	1%	0.01	13%	0.125	C	C	.	.			trans	-74.6	156.1	172	70.9	178.3	0	0	0	110	N522 G523 F525 V527 F586 V609	I520-N522 VanDerWaalsContact CG1-OD1 3.29Å; I520-N522 WeakPolarHBondContact CG1-OD1 3.2Å; I520-N522 PolarHBondContact O-N 3.42Å; I520-N522 VanDerWaalsContact O-N 3.1Å; I520-G523 PolarHBondContact O-N 3.17Å; I520-F525 HydrophobicContact CD1-CB 4.06Å; I520-F525 HydrophobicContact CD1-CD2 3.99Å; I520-F525 HydrophobicContact CG1-CB 4.27Å; I520-F525 PolarHBondContact N-O 3.49Å; I520-V527 HydrophobicContact CG2-CG2 3.85Å; I520-F586 HydrophobicContact CB-CD1 4.26Å; I520-F586 HydrophobicContact CB-CD2 4.4Å; I520-F586 HydrophobicContact CB-CE1 4.28Å; I520-F586 HydrophobicContact CB-CE2 4.43Å; I520-F586 HydrophobicContact CB-CG 4.31Å; I520-F586 HydrophobicContact CB-CZ 4.36Å; I520-F586 HydrophobicContact CG2-CB 4.5Å; I520-F586 HydrophobicContact CG2-CD1 4.47Å; I520-F586 HydrophobicContact CG2-CD2 3.91Å; I520-F586 HydrophobicContact CG2-CE2 4.25Å; I520-F586 HydrophobicContact CG2-CG 4.03Å; I520-V609 HydrophobicContact CD1-CB 3.99Å; I520-V609 HydrophobicContact CD1-CG2 3.89Å
521	S	77.4	Confident	77	Confident	33 Å²	33	20.9 Å²	20.9	23%	0.231	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.8	-168.6	46.1	0	0	0	0	116.1	P471 G523 D588	P471-S521 VanDerWaalsContact CB-O 3.3Å; P471-S521 WeakPolarHBondContact CB-O 3.48Å; P471-S521 WeakPolarHBondContact CG-O 3.47Å; S521-G523 PolarHBondContact O-N 3.32Å; S521-D588 WeakPolarHBondContact CB-OD1 3.31Å; S521-D588 PolarHBondContact OG-OD1 3.14Å
522	N	73.8	Confident	77	Confident	27 Å²	27	23.1 Å²	23.1	14%	0.144	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-11.9	172.2	82	-5.3	0	0	0	113.7	I520 E524 E610	I520-N522 VanDerWaalsContact CG1-OD1 3.29Å; I520-N522 WeakPolarHBondContact CG1-OD1 3.2Å; I520-N522 PolarHBondContact O-N 3.42Å; I520-N522 VanDerWaalsContact O-N 3.1Å; N522-E524 HydrophobicContact CB-CG 4.42Å; N522-E524 PolarHBondContact ND2-OE2 3.11Å; N522-E524 PolarHBondContact O-N 2.92Å; N522-E524 VanDerWaalsContact O-N 3.15Å; N522-E524 WeakPolarHBondContact OD1-CB 3.48Å; N522-E524 PolarHBondContact OD1-N 2.93Å; N522-E610 WeakPolarHBondContact ND2-CG 3.15Å; N522-E610 PolarHBondContact ND2-OE1 3Å
523	G	74.2	Confident	76.3	Confident	1 Å²	1	26 Å²	26	1%	0.01	12%	0.116	C	C	.	.	S	Bend	trans	75.3	-10.8	-179.9	0	0	0	0	0	115.2	M117 H470 P471 W519 I520 S521	M117-G523 WeakPolarHBondContact CE-O 3.3Å; H470-G523 PolarHBondContact CD2-O 2.92Å; H470-G523 WeakPolarHBondContact NE2-CA 3.08Å; H470-G523 PolarHBondContact NE2-O 3.04Å; H470-G523 VanDerWaalsContact NE2-O 3.14Å; P471-G523 VanDerWaalsContact CG-CA 3.42Å; W519-G523 PolarHBondContact NE1-O 2.91Å; I520-G523 PolarHBondContact O-N 3.17Å; S521-G523 PolarHBondContact O-N 3.32Å
524	E	73.1	Confident	75.1	Confident	31 Å²	31	29.3 Å²	29.3	15%	0.145	13%	0.13	C	C	.	.	S	Bend	trans	-77	-35.5	-173.2	-56.5	-178.9	168.6	0	0	112.8	M117 C120 N522 L562 P563 R612	M117-E524 WeakPolarHBondContact CE-O 3.47Å; C120-E524 HydrophobicContact CB-CG 3.87Å; C120-E524 WeakPolarHBondContact CB-OE1 3.43Å; N522-E524 HydrophobicContact CB-CG 4.42Å; N522-E524 PolarHBondContact ND2-OE2 3.11Å; N522-E524 PolarHBondContact O-N 2.92Å; N522-E524 VanDerWaalsContact O-N 3.15Å; N522-E524 WeakPolarHBondContact OD1-CB 3.48Å; N522-E524 PolarHBondContact OD1-N 2.93Å; E524-L562 WeakPolarHBondContact O-CD1 3.48Å; E524-P563 VanDerWaalsContact O-CD 3.24Å; E524-P563 WeakPolarHBondContact O-CD 3.3Å; E524-R612 IonicContact OE1-NH2 3.66Å; E524-R612 IonicContact OE2-CZ 2.71Å; E524-R612 IonicContact OE2-NE 2.72Å; E524-R612 PolarHBondContact OE2-NE 3.2Å; E524-R612 IonicContact OE2-NH2 2.66Å; E524-R612 PolarHBondContact OE2-NH2 3.06Å
525	F	77	Confident	73.4	Confident	7 Å²	7	31.6 Å²	31.6	3%	0.031	14%	0.144	C	C	.	.			trans	-126.6	142.5	-168.1	-56	-87.4	0	0	0	113.2	I520 Q560 L562 R612	I520-F525 HydrophobicContact CD1-CB 4.06Å; I520-F525 HydrophobicContact CD1-CD2 3.99Å; I520-F525 HydrophobicContact CG1-CB 4.27Å; I520-F525 PolarHBondContact N-O 3.49Å; F525-Q560 HydrophobicContact CB-CG 3.71Å; F525-Q560 HydrophobicContact CD1-CG 3.79Å; F525-Q560 HydrophobicContact CG-CG 3.92Å; F525-L562 HydrophobicContact CD1-CB 4.48Å; F525-L562 HydrophobicContact CD1-CD1 4.15Å; F525-L562 HydrophobicContact CE1-CD1 4.08Å; F525-R612 HydrophobicContact CE1-CG 4.33Å; F525-R612 HydrophobicContact CZ-CG 3.65Å
526	L	81.8	Confident	71.6	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	145.1	162.1	-146.4	102.5	0	0	0	109.5	Y478 I518 W519 Q560 F561	Y478-L526 HydrophobicContact CD1-CD1 4.12Å; Y478-L526 HydrophobicContact CD1-CD2 4.2Å; Y478-L526 HydrophobicContact CD2-CD1 3.59Å; Y478-L526 HydrophobicContact CD2-CD2 3.71Å; Y478-L526 HydrophobicContact CD2-CG 4.3Å; Y478-L526 HydrophobicContact CE1-CD2 3.89Å; Y478-L526 HydrophobicContact CE2-CD1 4.17Å; Y478-L526 HydrophobicContact CE2-CD2 3.36Å; Y478-L526 HydrophobicContact CE2-CG 4.4Å; Y478-L526 HydrophobicContact CG-CD1 3.56Å; Y478-L526 HydrophobicContact CG-CD2 4.12Å; Y478-L526 HydrophobicContact CG-CG 4.48Å; Y478-L526 VanDerWaalsContact CZ-CD2 3.46Å; I518-L526 WeakPolarHBondContact O-CA 3.47Å; W519-L526 HydrophobicContact CB-CD1 4.36Å; W519-L526 HydrophobicContact CD2-CD1 4.08Å; W519-L526 HydrophobicContact CE3-CD1 4.49Å; W519-L526 HydrophobicContact CG-CD1 4.04Å; L526-Q560 WeakPolarHBondContact O-CA 3.49Å; L526-F561 HydrophobicContact CB-CD2 4.13Å; L526-F561 HydrophobicContact CB-CE1 4.49Å; L526-F561 HydrophobicContact CB-CE2 3.72Å; L526-F561 HydrophobicContact CB-CZ 3.93Å; L526-F561 HydrophobicContact CD2-CE1 4.25Å; L526-F561 HydrophobicContact CD2-CE2 3.71Å; L526-F561 HydrophobicContact CD2-CZ 3.35Å; L526-F561 HydrophobicContact CG-CE2 4.34Å; L526-F561 HydrophobicContact CG-CZ 4.25Å; L526-F561 PolarHBondContact N-O 2.91Å; L526-F561 PolarHBondContact O-N 3Å
527	V	84	Confident	69.2	Low	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.2	171.5	178.8	0	0	0	0	108.7	G517 I518 I520 I558 G559 Q560 L573 V584 L593	G517-V527 CarbonylContact C-O 3.51Å; G517-V527 VanDerWaalsContact CA-O 3.27Å; G517-V527 WeakPolarHBondContact CA-O 3.44Å; I518-V527 HydrophobicContact CG1-CB 4.27Å; I518-V527 PolarHBondContact N-O 3.32Å; I518-V527 PolarHBondContact O-N 2.93Å; I520-V527 HydrophobicContact CG2-CG2 3.85Å; V527-I558 HydrophobicContact CG1-CG2 3.82Å; V527-G559 WeakPolarHBondContact CA-O 3.35Å; V527-Q560 HydrophobicContact CG2-CB 4.3Å; V527-Q560 HydrophobicContact CG2-CG 4.26Å; V527-L573 HydrophobicContact CG1-CD1 4.32Å; V527-V584 HydrophobicContact CG1-CG2 4.35Å; V527-L593 HydrophobicContact CB-CD1 4.42Å; V527-L593 HydrophobicContact CG1-CD1 3.96Å; V527-L593 HydrophobicContact CG1-CD2 3.74Å; V527-L593 HydrophobicContact CG2-CD1 4.44Å
528	G	81.5	Confident	66.9	Low	4 Å²	4	35.2 Å²	35.2	4%	0.041	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.3	169.4	174.8	0	0	0	0	0	110.4	G559	G528-G559 PolarHBondContact N-O 3.49Å; G528-G559 VanDerWaalsContact N-O 3.08Å; G528-G559 PolarHBondContact O-N 2.79Å
529	S	78.4	Confident	64.3	Low	4 Å²	4	37.9 Å²	37.9	3%	0.028	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	155.5	176.1	70.7	0	0	0	0	113.2	M513 G514 E531 C557 L581	M513-S529 WeakPolarHBondContact CA-O 3.49Å; G514-S529 WeakPolarHBondContact CA-OG 3.1Å; G514-S529 PolarHBondContact N-O 2.87Å; S529-E531 PolarHBondContact OG-OE1 3.46Å; S529-C557 CarbonylContact C-O 3.48Å; S529-C557 WeakPolarHBondContact CA-O 3.39Å; S529-C557 WeakPolarHBondContact CB-O 3.43Å; S529-L581 WeakPolarHBondContact OG-CB 3.42Å
530	R	73.6	Confident	61.9	Low	84 Å²	84	47.1 Å²	47.1	32%	0.317	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124.5	157.1	173.1	-178.3	165.9	-143.7	-14.4	107	H510 F512 M532 N556 C557	H510-R530 PolarHBondContact O-NE 3.33Å; F512-R530 WeakPolarHBondContact O-CA 3.48Å; R530-M532 PolarHBondContact NH2-SD 2.98Å; R530-M532 VanDerWaalsContact NH2-SD 3.35Å; R530-N556 WeakPolarHBondContact O-CA 3.47Å; R530-C557 PolarHBondContact N-O 3.47Å; R530-C557 PolarHBondContact O-N 3.34Å
531	E	71.9	Confident	59.6	Low	10 Å²	10	52.8 Å²	52.8	5%	0.047	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	140.2	-178.2	-70.5	165.4	-168	0	0	109.1	R484 G511 F512 S529 N556 L581	R484-E531 IonicContact CZ-OE2 2.79Å; R484-E531 IonicContact NH1-OE2 2.78Å; R484-E531 PolarHBondContact NH1-OE2 2.77Å; R484-E531 IonicContact NH2-OE2 2.73Å; G511-E531 CarbonylContact C-O 3.55Å; G511-E531 WeakPolarHBondContact CA-O 3.39Å; F512-E531 PolarHBondContact N-O 2.75Å; F512-E531 PolarHBondContact O-N 2.79Å; S529-E531 PolarHBondContact OG-OE1 3.46Å; E531-N556 VanDerWaalsContact CA-OD1 3.25Å; E531-N556 WeakPolarHBondContact CA-OD1 3.37Å; E531-N556 HydrophobicContact CG-CB 4.47Å; E531-L581 PolarHBondContact OE1-N 2.97Å
532	M	61.1	Low	57.8	Low	56 Å²	56	58.4 Å²	58.4	28%	0.276	30%	0.301	S	S	.	.			trans	-105.9	146.7	-179.9	-67.7	-158.3	-76	0	0	112.6	R530 T553 D555 N556	R530-M532 PolarHBondContact NH2-SD 2.98Å; R530-M532 VanDerWaalsContact NH2-SD 3.35Å; M532-T553 WeakPolarHBondContact CE-O 3.36Å; M532-D555 HydrophobicContact CE-CB 4.16Å; M532-N556 PolarHBondContact N-OD1 3.26Å
533	W	51.5	Low	56.3	Low	138 Å²	138	65 Å²	65	52%	0.523	33%	0.331	S	S	.	.			trans	-106.3	148.7	-174.7	83.4	-66.5	0	0	0	112.1	F512 T535	F512-W533 HydrophobicContact CD2-CB 4.23Å; F512-W533 HydrophobicContact CE2-CB 3.6Å; F512-W533 HydrophobicContact CE2-CG 4.07Å; F512-W533 HydrophobicContact CZ-CB 4.38Å; F512-W533 HydrophobicContact CZ-CG 4.39Å; W533-T535 HydrophobicContact CD2-CG2 4.27Å; W533-T535 VanDerWaalsContact CE2-CG2 3.47Å; W533-T535 HydrophobicContact CH2-CG2 4.48Å; W533-T535 HydrophobicContact CZ2-CG2 3.61Å; W533-T535 PolarHBondContact O-N 3.08Å
534	F	44.2	Very low	54.6	Low	72 Å²	72	70.4 Å²	70.4	32%	0.316	36%	0.359	S	S	.	.			trans	-65.5	95.7	163.9	-66.6	-85.4	0	0	0	109.7	S536 W547 M554 I670	F534-S536 PolarHBondContact O-N 3.48Å; F534-S536 VanDerWaalsContact O-N 3.1Å; F534-W547 AromaticContact CE1-CH2 3.83Å; F534-W547 HydrophobicContact CE1-CH2 3.83Å; F534-W547 AromaticContact CE1-CZ3 3.59Å; F534-W547 HydrophobicContact CE1-CZ3 3.59Å; F534-W547 AromaticContact CZ-CH2 3.97Å; F534-W547 HydrophobicContact CZ-CH2 3.97Å; F534-W547 AromaticContact CZ-CZ3 3.7Å; F534-W547 HydrophobicContact CZ-CZ3 3.7Å; F534-M554 HydrophobicContact CE1-SD 4.22Å; F534-M554 HydrophobicContact CE2-SD 4.38Å; F534-M554 HydrophobicContact CZ-CE 4.29Å; F534-M554 HydrophobicContact CZ-SD 3.82Å; F534-I670 HydrophobicContact CD2-CD1 4.26Å; F534-I670 HydrophobicContact CE2-CD1 4.18Å; F534-I670 HydrophobicContact CZ-CD1 4.43Å
535	T	34.5	Very low	53.2	Low	51 Å²	51	71.4 Å²	71.4	31%	0.313	37%	0.368	S	S	.	.			trans	-58.2	119.1	167.8	59.8	0	0	0	0	108.3	W533 T537 S538	W533-T535 HydrophobicContact CD2-CG2 4.27Å; W533-T535 VanDerWaalsContact CE2-CG2 3.47Å; W533-T535 HydrophobicContact CH2-CG2 4.48Å; W533-T535 HydrophobicContact CZ2-CG2 3.61Å; W533-T535 PolarHBondContact O-N 3.08Å; T535-T537 VanDerWaalsContact CB-OG1 3.27Å; T535-T537 WeakPolarHBondContact CB-OG1 3.36Å; T535-T537 PolarHBondContact O-N 2.91Å; T535-T537 PolarHBondContact OG1-OG1 2.98Å; T535-T537 VanDerWaalsContact OG1-OG1 3.14Å; T535-S538 PolarHBondContact O-N 3.33Å
536	S	33.9	Very low	51.7	Low	64 Å²	64	79.6 Å²	79.6	45%	0.448	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-60.6	-13.8	-176.2	68	0	0	0	0	113.8	F534 S538 C539 R540	F534-S536 PolarHBondContact O-N 3.48Å; F534-S536 VanDerWaalsContact O-N 3.1Å; S536-S538 PolarHBondContact O-N 3.17Å; S536-C539 CarbonylContact O-C 3.53Å; S536-C539 PolarHBondContact O-N 2.99Å; S536-R540 WeakPolarHBondContact O-CG 3.46Å; S536-R540 PolarHBondContact O-N 2.91Å; S536-R540 VanDerWaalsContact O-N 3.09Å
537	T	33	Very low	50	Low	91 Å²	91	83.2 Å²	83.2	56%	0.558	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-54.1	-30.9	165.3	32.4	0	0	0	0	114.2	T535 C539 R540	T535-T537 VanDerWaalsContact CB-OG1 3.27Å; T535-T537 WeakPolarHBondContact CB-OG1 3.36Å; T535-T537 PolarHBondContact O-N 2.91Å; T535-T537 PolarHBondContact OG1-OG1 2.98Å; T535-T537 VanDerWaalsContact OG1-OG1 3.14Å; T537-C539 VanDerWaalsContact C-N 3.33Å; T537-R540 PolarHBondContact O-N 3.06Å
538	S	37.9	Very low	48	Very low	37 Å²	37	87.5 Å²	87.5	26%	0.259	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-71.8	-28.4	174	-57.2	0	0	0	0	112.5	T535 S536	T535-S538 PolarHBondContact O-N 3.33Å; S536-S538 PolarHBondContact O-N 3.17Å
539	C	36.2	Very low	46.2	Very low	79 Å²	79	90.1 Å²	90.1	53%	0.534	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-8.9	178.7	-46.1	0	0	0	0	112.9	S536 T537	S536-C539 CarbonylContact O-C 3.53Å; S536-C539 PolarHBondContact O-N 2.99Å; T537-C539 VanDerWaalsContact C-N 3.33Å
540	R	36.4	Very low	44.6	Very low	199 Å²	199	91 Å²	91	75%	0.751	47%	0.47	S	S	*	.	S	Bend	trans	-81.9	-17.4	178.4	-81	-176.6	176.8	-158.6	-1.7	114	S536 T537	S536-R540 WeakPolarHBondContact O-CG 3.46Å; S536-R540 PolarHBondContact O-N 2.91Å; S536-R540 VanDerWaalsContact O-N 3.09Å; T537-R540 PolarHBondContact O-N 3.06Å
541	N	36.1	Very low	43.2	Very low	120 Å²	120	89.4 Å²	89.4	64%	0.642	47%	0.466	S	S	*	.	S	Bend	trans	-85.2	131.1	166.8	-74.3	-19.3	0	0	0	108.4	Q543	N541-Q543 CarbonylContact O-C 3.59Å; N541-Q543 PolarHBondContact O-N 3.26Å
542	T	40.6	Very low	41.9	Very low	152 Å²	152	95.9 Å²	95.9	93%	0.933	50%	0.501	S	S	*	.	S	Bend	trans	-67.8	10	-179.2	49.3	0	0	0	0	114.7
543	Q	40.6	Very low	41.2	Very low	165 Å²	165	97.5 Å²	97.5	77%	0.771	51%	0.514	S	S	*	.	S	Bend	trans	-120.1	101.1	164.7	-69.4	-178.6	-8.5	0	0	107	N541	N541-Q543 CarbonylContact O-C 3.59Å; N541-Q543 PolarHBondContact O-N 3.26Å
544	L	40.3	Very low	41.4	Very low	115 Å²	115	92.1 Å²	92.1	60%	0.602	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-49.7	125.5	163.3	-86.4	147.3	0	0	0	107.9	K546	L544-K546 PolarHBondContact O-N 3.38Å
545	P	43	Very low	42.2	Very low	51 Å²	51	92.3 Å²	92.3	33%	0.331	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-55.3	132	169.4	-19.7	30.6	0	0	0	108.1	W547 L550	P545-W547 PolarHBondContact O-N 3.44Å; P545-L550 HydrophobicContact CB-CD1 4.08Å; P545-L550 HydrophobicContact CB-CG 4.12Å; P545-L550 HydrophobicContact CG-CD1 4.2Å; P545-L550 HydrophobicContact CG-CG 4.41Å
546	K	45.8	Very low	44.1	Very low	179 Å²	179	90.4 Å²	90.4	78%	0.778	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-50.6	121.9	176.8	-75	-167.9	172.6	-164.7	0	108.7	L544 P548 A549	L544-K546 PolarHBondContact O-N 3.38Å; K546-P548 VanDerWaalsContact C-N 3.28Å; K546-P548 WeakPolarHBondContact O-CD 3.48Å; K546-A549 WeakPolarHBondContact O-CB 3.19Å; K546-A549 PolarHBondContact O-N 2.89Å
547	W	45.3	Very low	46.1	Very low	77 Å²	77	87.4 Å²	87.4	29%	0.292	47%	0.466	S	S	.	.	H	α-helix	trans	-42.3	-41.3	-170.6	-81.7	105.6	0	0	0	115.8	F534 P545 A549 L550 F551 I667 I670	F534-W547 AromaticContact CE1-CH2 3.83Å; F534-W547 HydrophobicContact CE1-CH2 3.83Å; F534-W547 AromaticContact CE1-CZ3 3.59Å; F534-W547 HydrophobicContact CE1-CZ3 3.59Å; F534-W547 AromaticContact CZ-CH2 3.97Å; F534-W547 HydrophobicContact CZ-CH2 3.97Å; F534-W547 AromaticContact CZ-CZ3 3.7Å; F534-W547 HydrophobicContact CZ-CZ3 3.7Å; P545-W547 PolarHBondContact O-N 3.44Å; W547-A549 VanDerWaalsContact C-N 3.26Å; W547-A549 PolarHBondContact O-N 3.3Å; W547-L550 HydrophobicContact CE3-CD1 4.39Å; W547-L550 WeakPolarHBondContact O-CA 3.5Å; W547-L550 WeakPolarHBondContact O-CB 3.5Å; W547-L550 PolarHBondContact O-N 3.05Å; W547-F551 VanDerWaalsContact C-CD2 3.48Å; W547-F551 HydrophobicContact CB-CD2 4.23Å; W547-F551 HydrophobicContact CB-CE2 3.79Å; W547-F551 HydrophobicContact CE3-CE2 4.22Å; W547-F551 HydrophobicContact CE3-CZ 4.09Å; W547-F551 WeakPolarHBondContact O-CD2 3.46Å; W547-F551 PolarHBondContact O-N 2.6Å; W547-I667 HydrophobicContact CD2-CD1 4.15Å; W547-I667 VanDerWaalsContact CE2-CD1 3.41Å; W547-I667 HydrophobicContact CH2-CD1 4.02Å; W547-I667 HydrophobicContact CZ2-CD1 3.36Å; W547-I670 HydrophobicContact CH2-CD1 4.47Å
548	P	42.8	Very low	48.3	Very low	89 Å²	89	83.1 Å²	83.1	58%	0.578	44%	0.44	S	S	*	.	H	α-helix	trans	-48.2	-42.2	172.1	-31.9	37.8	0	0	0	115	K546 L550 F551 D552	K546-P548 VanDerWaalsContact C-N 3.28Å; K546-P548 WeakPolarHBondContact O-CD 3.48Å; P548-L550 VanDerWaalsContact C-N 3.31Å; P548-L550 PolarHBondContact O-N 3.35Å; P548-F551 PolarHBondContact O-N 3.36Å; P548-D552 PolarHBondContact O-N 2.92Å
549	A	43.4	Very low	50.1	Low	59 Å²	59	81.5 Å²	81.5	49%	0.488	43%	0.429	S	S	.	.	H	α-helix	trans	-74.1	-19.4	179.4	0	0	0	0	0	113.6	K546 W547	K546-A549 WeakPolarHBondContact O-CB 3.19Å; K546-A549 PolarHBondContact O-N 2.89Å; W547-A549 VanDerWaalsContact C-N 3.26Å; W547-A549 PolarHBondContact O-N 3.3Å
550	L	43.9	Very low	52	Low	22 Å²	22	77.9 Å²	77.9	12%	0.115	40%	0.404	C	S	.	.	H	α-helix	trans	-79.6	-43.3	167.9	-84.2	160.7	0	0	0	110.5	P545 W547 P548 D552 T553 M554	P545-L550 HydrophobicContact CB-CD1 4.08Å; P545-L550 HydrophobicContact CB-CG 4.12Å; P545-L550 HydrophobicContact CG-CD1 4.2Å; P545-L550 HydrophobicContact CG-CG 4.41Å; W547-L550 HydrophobicContact CE3-CD1 4.39Å; W547-L550 WeakPolarHBondContact O-CA 3.5Å; W547-L550 WeakPolarHBondContact O-CB 3.5Å; W547-L550 PolarHBondContact O-N 3.05Å; P548-L550 VanDerWaalsContact C-N 3.31Å; P548-L550 PolarHBondContact O-N 3.35Å; L550-D552 VanDerWaalsContact C-N 3.3Å; L550-D552 PolarHBondContact O-N 2.91Å; L550-T553 PolarHBondContact O-N 3.29Å; L550-T553 PolarHBondContact O-OG1 2.92Å; L550-M554 PolarHBondContact O-N 2.94Å
551	F	45.6	Very low	53.8	Low	51 Å²	51	68.7 Å²	68.7	22%	0.224	37%	0.37	C	S	.	.	H	α-helix	trans	-56.9	-41.3	175.7	-68.9	-63.1	0	0	0	112.2	W547 P548 T553 M554 I578 L765	W547-F551 VanDerWaalsContact C-CD2 3.48Å; W547-F551 HydrophobicContact CB-CD2 4.23Å; W547-F551 HydrophobicContact CB-CE2 3.79Å; W547-F551 HydrophobicContact CE3-CE2 4.22Å; W547-F551 HydrophobicContact CE3-CZ 4.09Å; W547-F551 WeakPolarHBondContact O-CD2 3.46Å; W547-F551 PolarHBondContact O-N 2.6Å; P548-F551 PolarHBondContact O-N 3.36Å; F551-T553 PolarHBondContact O-N 3.31Å; F551-M554 HydrophobicContact CB-CE 4.5Å; F551-M554 HydrophobicContact CD1-CE 3.32Å; F551-M554 HydrophobicContact CE1-CE 3.71Å; F551-M554 HydrophobicContact CG-CE 4.07Å; F551-M554 PolarHBondContact O-N 3.45Å; F551-I578 HydrophobicContact CD1-CG2 3.65Å; F551-I578 HydrophobicContact CE1-CD1 4.14Å; F551-I578 HydrophobicContact CE1-CG2 3.76Å; F551-L765 HydrophobicContact CD1-CD2 4.21Å; F551-L765 HydrophobicContact CD2-CD2 4.05Å; F551-L765 HydrophobicContact CE1-CD2 4.19Å; F551-L765 HydrophobicContact CE2-CD2 3.99Å; F551-L765 HydrophobicContact CG-CD2 4.19Å; F551-L765 HydrophobicContact CZ-CD2 4.09Å
552	D	43.9	Very low	55.4	Low	147 Å²	147	63.1 Å²	63.1	79%	0.786	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-14.5	173.9	-76.8	-23.5	0	0	0	114.5	P548 L550	P548-D552 PolarHBondContact O-N 2.92Å; L550-D552 VanDerWaalsContact C-N 3.3Å; L550-D552 PolarHBondContact O-N 2.91Å
553	T	47.1	Very low	56.9	Low	90 Å²	90	55.9 Å²	55.9	55%	0.552	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	-7.9	176.2	66.3	0	0	0	0	114.1	M532 L550 F551 D555	M532-T553 WeakPolarHBondContact CE-O 3.36Å; L550-T553 PolarHBondContact O-N 3.29Å; L550-T553 PolarHBondContact O-OG1 2.92Å; F551-T553 PolarHBondContact O-N 3.31Å; T553-D555 PolarHBondContact O-N 2.94Å
554	M	55.1	Low	57.9	Low	24 Å²	24	48.3 Å²	48.3	12%	0.118	26%	0.261	C	S	.	.			trans	-94.5	81.1	-176.7	-72.3	-167.5	-69.6	0	0	111.8	F534 L550 F551 G577 I578	F534-M554 HydrophobicContact CE1-SD 4.22Å; F534-M554 HydrophobicContact CE2-SD 4.38Å; F534-M554 HydrophobicContact CZ-CE 4.29Å; F534-M554 HydrophobicContact CZ-SD 3.82Å; L550-M554 PolarHBondContact O-N 2.94Å; F551-M554 HydrophobicContact CB-CE 4.5Å; F551-M554 HydrophobicContact CD1-CE 3.32Å; F551-M554 HydrophobicContact CE1-CE 3.71Å; F551-M554 HydrophobicContact CG-CE 4.07Å; F551-M554 PolarHBondContact O-N 3.45Å; M554-G577 CarbonylContact O-C 3.58Å; M554-G577 WeakPolarHBondContact O-CA 3.26Å; M554-G577 VanDerWaalsContact O-O 3.05Å; M554-I578 HydrophobicContact CB-CG2 4.28Å; M554-I578 HydrophobicContact CE-CG2 3.57Å; M554-I578 HydrophobicContact SD-CG2 4.1Å
555	D	61.8	Low	59	Low	76 Å²	76	43.7 Å²	43.7	41%	0.406	24%	0.236	S	C	.	.			trans	-97	77.4	168.3	-100.5	-3.7	0	0	0	110.3	M532 T553 Y621	M532-D555 HydrophobicContact CE-CB 4.16Å; T553-D555 PolarHBondContact O-N 2.94Å; D555-Y621 PolarHBondContact OD1-OH 3.24Å; D555-Y621 PolarHBondContact OD2-OH 3.22Å
556	N	73.3	Confident	59.7	Low	11 Å²	11	41.5 Å²	41.5	6%	0.059	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	135.3	155.6	-65.9	-9.4	0	0	0	107.5	R530 E531 M532 L576 G577 Q579	R530-N556 WeakPolarHBondContact O-CA 3.47Å; E531-N556 VanDerWaalsContact CA-OD1 3.25Å; E531-N556 WeakPolarHBondContact CA-OD1 3.37Å; E531-N556 HydrophobicContact CG-CB 4.47Å; M532-N556 PolarHBondContact N-OD1 3.26Å; N556-L576 HydrophobicContact CB-CB 3.92Å; N556-L576 PolarHBondContact O-N 3.5Å; N556-G577 WeakPolarHBondContact CB-O 3.17Å; N556-G577 VanDerWaalsContact CG-O 3.28Å; N556-G577 PolarHBondContact N-O 2.91Å; N556-G577 PolarHBondContact O-N 3.18Å; N556-Q579 WeakPolarHBondContact CB-O 3.42Å; N556-Q579 PolarHBondContact ND2-O 2.69Å
557	C	76.1	Confident	60.2	Low	2 Å²	2	36.4 Å²	36.4	1%	0.014	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	147.4	-178.8	56.3	0	0	0	0	111.8	S529 R530 H572 I574	S529-C557 CarbonylContact C-O 3.48Å; S529-C557 WeakPolarHBondContact CA-O 3.39Å; S529-C557 WeakPolarHBondContact CB-O 3.43Å; R530-C557 PolarHBondContact N-O 3.47Å; R530-C557 PolarHBondContact O-N 3.34Å; C557-H572 PolarHBondContact SG-CE1 2.86Å; C557-H572 PolarHBondContact SG-ND1 3.05Å; C557-I574 CarbonylContact C-O 3.54Å; C557-I574 WeakPolarHBondContact CA-O 3.29Å
558	I	78.4	Confident	60.2	Low	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	120.7	162.7	-54.5	-176.3	0	0	0	107.1	V527 L573 I574 L576 L581 L593 C595	V527-I558 HydrophobicContact CG1-CG2 3.82Å; I558-L573 HydrophobicContact CB-CB 4.49Å; I558-L573 HydrophobicContact CG2-CB 4.49Å; I558-L573 HydrophobicContact CG2-CD1 4.31Å; I558-L573 WeakPolarHBondContact O-CB 3.38Å; I558-L573 PolarHBondContact O-N 3.19Å; I558-I574 HydrophobicContact CB-CB 4.23Å; I558-I574 HydrophobicContact CD1-CB 4.2Å; I558-I574 HydrophobicContact CD1-CD1 4.2Å; I558-I574 HydrophobicContact CG1-CB 4.26Å; I558-I574 PolarHBondContact N-O 3.31Å; I558-I574 PolarHBondContact O-N 3.36Å; I558-L576 HydrophobicContact CD1-CD2 4.28Å; I558-L576 HydrophobicContact CG1-CD1 3.87Å; I558-L576 HydrophobicContact CG1-CD2 4.21Å; I558-L576 HydrophobicContact CG1-CG 4.15Å; I558-L581 HydrophobicContact CD1-CD1 3.77Å; I558-L581 HydrophobicContact CG1-CD1 4.3Å; I558-L593 HydrophobicContact CG2-CD2 4.3Å; I558-C595 HydrophobicContact CD1-CB 3.24Å; I558-C595 WeakPolarHBondContact CD1-SG 3.43Å
559	G	75.9	Confident	60.5	Low	4 Å²	4	33.3 Å²	33.3	4%	0.041	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	136.6	176	0	0	0	0	0	110.2	V527 G528 S571	V527-G559 WeakPolarHBondContact CA-O 3.35Å; G528-G559 PolarHBondContact N-O 3.49Å; G528-G559 VanDerWaalsContact N-O 3.08Å; G528-G559 PolarHBondContact O-N 2.79Å; G559-S571 WeakPolarHBondContact CA-O 3.36Å
560	Q	77.1	Confident	61.3	Low	2 Å²	2	32.2 Å²	32.2	1%	0.009	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	133.5	154.3	179.4	-163.4	34.7	0	0	107.7	F525 L526 V527 C570 S571 L573 V609	F525-Q560 HydrophobicContact CB-CG 3.71Å; F525-Q560 HydrophobicContact CD1-CG 3.79Å; F525-Q560 HydrophobicContact CG-CG 3.92Å; L526-Q560 WeakPolarHBondContact O-CA 3.49Å; V527-Q560 HydrophobicContact CG2-CB 4.3Å; V527-Q560 HydrophobicContact CG2-CG 4.26Å; Q560-C570 CarbonylContact O-C 3.51Å; Q560-C570 VanDerWaalsContact O-CA 3.24Å; Q560-C570 WeakPolarHBondContact O-CA 3.42Å; Q560-S571 PolarHBondContact N-O 3.11Å; Q560-S571 PolarHBondContact O-N 2.91Å; Q560-S571 PolarHBondContact OE1-OG 3.4Å; Q560-L573 HydrophobicContact CB-CD1 3.94Å; Q560-L573 HydrophobicContact CB-CD2 4.35Å; Q560-L573 HydrophobicContact CB-CG 4.12Å; Q560-V609 HydrophobicContact CB-CG1 4.06Å; Q560-V609 VanDerWaalsContact CD-CG1 3.42Å; Q560-V609 VanDerWaalsContact CD-O 3.3Å; Q560-V609 HydrophobicContact CG-CG1 3.96Å; Q560-V609 PolarHBondContact NE2-O 3.05Å; Q560-V609 PolarHBondContact OE1-O 3.04Å; Q560-V609 VanDerWaalsContact OE1-O 3.12Å
561	F	73.2	Confident	62.2	Low	6 Å²	6	31.6 Å²	31.6	3%	0.026	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	138.8	175.4	48.8	-82.8	0	0	0	112.1	W506 M513 L526 P563 G569	W506-F561 HydrophobicContact CD2-CE2 4.45Å; M513-F561 HydrophobicContact CE-CE1 4.47Å; M513-F561 HydrophobicContact CE-CE2 4.35Å; M513-F561 HydrophobicContact CE-CZ 3.66Å; L526-F561 HydrophobicContact CB-CD2 4.13Å; L526-F561 HydrophobicContact CB-CE1 4.49Å; L526-F561 HydrophobicContact CB-CE2 3.72Å; L526-F561 HydrophobicContact CB-CZ 3.93Å; L526-F561 HydrophobicContact CD2-CE1 4.25Å; L526-F561 HydrophobicContact CD2-CE2 3.71Å; L526-F561 HydrophobicContact CD2-CZ 3.35Å; L526-F561 HydrophobicContact CG-CE2 4.34Å; L526-F561 HydrophobicContact CG-CZ 4.25Å; L526-F561 PolarHBondContact N-O 2.91Å; L526-F561 PolarHBondContact O-N 3Å; F561-P563 WeakPolarHBondContact O-CD 3.41Å; F561-G569 WeakPolarHBondContact CA-O 3.12Å
562	L	70.8	Confident	63.3	Low	3 Å²	3	30.1 Å²	30.1	2%	0.016	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	119.2	167.1	-165.9	75.8	0	0	0	108	R121 E524 F525 S564 E565 G569	R121-L562 VanDerWaalsContact NH2-CD2 3.25Å; E524-L562 WeakPolarHBondContact O-CD1 3.48Å; F525-L562 HydrophobicContact CD1-CB 4.48Å; F525-L562 HydrophobicContact CD1-CD1 4.15Å; F525-L562 HydrophobicContact CE1-CD1 4.08Å; L562-S564 WeakPolarHBondContact CD2-OG 3.33Å; L562-S564 WeakPolarHBondContact CG-OG 3.41Å; L562-S564 PolarHBondContact O-N 2.79Å; L562-E565 HydrophobicContact CD2-CB 4.19Å; L562-E565 HydrophobicContact CD2-CG 4.38Å; L562-E565 CarbonylContact O-C 3.51Å; L562-E565 VanDerWaalsContact O-C 3.27Å; L562-E565 PolarHBondContact O-N 3.25Å; L562-G569 PolarHBondContact N-O 2.79Å
563	P	70.8	Confident	64.6	Low	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-31.8	-178.4	-33.2	39.4	0	0	0	113.7	M117 I504 W506 W519 E524 F561	M117-P563 HydrophobicContact CE-CB 4.21Å; M117-P563 HydrophobicContact CE-CG 3.73Å; I504-P563 HydrophobicContact CD1-CB 4.33Å; W506-P563 HydrophobicContact CH2-CB 4.15Å; W506-P563 HydrophobicContact CZ2-CB 3.71Å; W519-P563 HydrophobicContact CZ2-CG 4.36Å; E524-P563 VanDerWaalsContact O-CD 3.24Å; E524-P563 WeakPolarHBondContact O-CD 3.3Å; F561-P563 WeakPolarHBondContact O-CD 3.41Å
564	S	62.5	Low	65.9	Low	7 Å²	7	19.1 Å²	19.1	5%	0.049	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-15.8	-179.4	68.7	0	0	0	0	115.8	L562	L562-S564 WeakPolarHBondContact CD2-OG 3.33Å; L562-S564 WeakPolarHBondContact CG-OG 3.41Å; L562-S564 PolarHBondContact O-N 2.79Å
565	E	63.6	Low	66.7	Low	17 Å²	17	19.5 Å²	19.5	8%	0.079	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	67.8	-179.1	-67.2	-177.7	170.8	0	0	111.6	R110 R118 R121 L562 T567 D568 G569	R110-E565 IonicContact CZ-OE1 2.79Å; R110-E565 VanDerWaalsContact CZ-OE1 3.25Å; R110-E565 VanDerWaalsContact NH1-CG 3.25Å; R110-E565 IonicContact NH1-OE1 3.18Å; R110-E565 PolarHBondContact NH1-OE1 3.28Å; R110-E565 IonicContact NH2-OE1 3.64Å; R110-E565 PolarHBondContact NH2-OE1 3.25Å; R110-E565 VanDerWaalsContact NH2-OE1 3.12Å; R118-E565 IonicContact CZ-OE1 3.92Å; R118-E565 IonicContact NE-OE1 3.25Å; R118-E565 PolarHBondContact NE-OE1 2.84Å; R118-E565 IonicContact NH2-OE1 2.86Å; R118-E565 PolarHBondContact NH2-OE1 3.18Å; R121-E565 IonicContact CZ-OE2 3.12Å; R121-E565 IonicContact NH1-OE2 3.02Å; R121-E565 VanDerWaalsContact NH2-CD 3.34Å; R121-E565 IonicContact NH2-OE1 2.87Å; R121-E565 IonicContact NH2-OE2 3.19Å; R121-E565 PolarHBondContact NH2-OE2 3.26Å; L562-E565 HydrophobicContact CD2-CB 4.19Å; L562-E565 HydrophobicContact CD2-CG 4.38Å; L562-E565 CarbonylContact O-C 3.51Å; L562-E565 VanDerWaalsContact O-C 3.27Å; L562-E565 PolarHBondContact O-N 3.25Å; E565-T567 VanDerWaalsContact C-N 3.28Å; E565-T567 PolarHBondContact O-N 2.55Å; E565-D568 HydrophobicContact CB-CB 4.33Å; E565-D568 PolarHBondContact O-N 2.68Å; E565-G569 WeakPolarHBondContact O-CA 3.42Å; E565-G569 PolarHBondContact O-N 3.44Å
566	P	57.6	Low	67.3	Low	6 Å²	6	16.1 Å²	16.1	4%	0.039	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-11.6	-167.4	-15.3	33.2	0	0	0	114.4	M1 T3 W506	M1-P566 HydrophobicContact SD-CB 3.78Å; T3-P566 HydrophobicContact CG2-CB 4.48Å; T3-P566 HydrophobicContact CG2-CG 3.52Å; W506-P566 VanDerWaalsContact CD1-CG 3.41Å
567	T	55.8	Low	67.2	Low	72 Å²	72	16.7 Å²	16.7	44%	0.442	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-42.8	169.1	46.1	0	0	0	0	111.5	M1 E565	M1-T567 WeakPolarHBondContact O-CG2 3.47Å; E565-T567 VanDerWaalsContact C-N 3.28Å; E565-T567 PolarHBondContact O-N 2.55Å
568	D	46.1	Very low	66.9	Low	82 Å²	82	18.7 Å²	18.7	44%	0.439	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-15.1	-166.3	-45.4	-11	0	0	0	112.2	E565	E565-D568 HydrophobicContact CB-CB 4.33Å; E565-D568 PolarHBondContact O-N 2.68Å
569	G	49.6	Very low	66.9	Low	19 Å²	19	18.8 Å²	18.8	20%	0.196	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	37.9	179.3	0	0	0	0	0	112.7	F561 L562 E565	F561-G569 WeakPolarHBondContact CA-O 3.12Å; L562-G569 PolarHBondContact N-O 2.79Å; E565-G569 WeakPolarHBondContact O-CA 3.42Å; E565-G569 PolarHBondContact O-N 3.44Å
570	C	59.8	Low	67.1	Low	35 Å²	35	19.5 Å²	19.5	24%	0.236	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	109.8	175.8	-168.8	0	0	0	0	111.3	Q560	Q560-C570 CarbonylContact O-C 3.51Å; Q560-C570 VanDerWaalsContact O-CA 3.24Å; Q560-C570 WeakPolarHBondContact O-CA 3.42Å
571	S	63.1	Low	67.5	Low	9 Å²	9	19.6 Å²	19.6	6%	0.063	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	119.4	172.1	-33.5	0	0	0	0	108.9	G559 Q560 L573	G559-S571 WeakPolarHBondContact CA-O 3.36Å; Q560-S571 PolarHBondContact N-O 3.11Å; Q560-S571 PolarHBondContact O-N 2.91Å; Q560-S571 PolarHBondContact OE1-OG 3.4Å; S571-L573 PolarHBondContact O-N 3.16Å
572	H	68.4	Low	68.2	Low	21 Å²	21	19.8 Å²	19.8	10%	0.097	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	104	172.3	-79.6	-123.4	0	0	0	109	C557 P619 Y621	C557-H572 PolarHBondContact SG-CE1 2.86Å; C557-H572 PolarHBondContact SG-ND1 3.05Å; H572-P619 HydrophobicContact CB-CB 4.11Å; H572-P619 WeakPolarHBondContact CD2-CB 3.27Å; H572-Y621 HydrophobicContact CB-CD1 3.92Å; H572-Y621 HydrophobicContact CB-CE1 3.83Å; H572-Y621 AromaticContact ND1-CE1 4Å; H572-Y621 WeakPolarHBondContact O-CA 3.4Å
573	L	70.5	Confident	69.2	Low	6 Å²	6	19.6 Å²	19.6	3%	0.031	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-62.8	-172	-66.3	-174.4	0	0	0	111.7	V527 I558 Q560 S571 L593 I605 V609 I622	V527-L573 HydrophobicContact CG1-CD1 4.32Å; I558-L573 HydrophobicContact CB-CB 4.49Å; I558-L573 HydrophobicContact CG2-CB 4.49Å; I558-L573 HydrophobicContact CG2-CD1 4.31Å; I558-L573 WeakPolarHBondContact O-CB 3.38Å; I558-L573 PolarHBondContact O-N 3.19Å; Q560-L573 HydrophobicContact CB-CD1 3.94Å; Q560-L573 HydrophobicContact CB-CD2 4.35Å; Q560-L573 HydrophobicContact CB-CG 4.12Å; S571-L573 PolarHBondContact O-N 3.16Å; L573-L593 HydrophobicContact CD1-CD2 3.97Å; L573-I605 HydrophobicContact CB-CD1 3.59Å; L573-I605 HydrophobicContact CD1-CD1 3.89Å; L573-I605 HydrophobicContact CD2-CD1 4.39Å; L573-I605 HydrophobicContact CG-CD1 4.18Å; L573-V609 HydrophobicContact CD1-CG1 3.86Å; L573-V609 HydrophobicContact CD2-CG1 4.03Å; L573-I622 HydrophobicContact CD2-CD1 4.4Å
574	I	73.6	Confident	70.2	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	123.4	-177.8	-70.3	167.7	0	0	0	109.2	C557 I558 L576 C595 E603 I605 R626	C557-I574 CarbonylContact C-O 3.54Å; C557-I574 WeakPolarHBondContact CA-O 3.29Å; I558-I574 HydrophobicContact CB-CB 4.23Å; I558-I574 HydrophobicContact CD1-CB 4.2Å; I558-I574 HydrophobicContact CD1-CD1 4.2Å; I558-I574 HydrophobicContact CG1-CB 4.26Å; I558-I574 PolarHBondContact N-O 3.31Å; I558-I574 PolarHBondContact O-N 3.36Å; I574-L576 HydrophobicContact CG2-CD2 3.75Å; I574-L576 HydrophobicContact CG2-CG 4.44Å; I574-C595 WeakPolarHBondContact CD1-SG 3.35Å; I574-E603 HydrophobicContact CD1-CB 3.95Å; I574-E603 WeakPolarHBondContact CG2-OE2 3.49Å; I574-I605 HydrophobicContact CD1-CD1 3.7Å; I574-I605 HydrophobicContact CD1-CG1 3.59Å; I574-I605 HydrophobicContact CG1-CD1 3.82Å; I574-I605 HydrophobicContact CG1-CG1 4.01Å; I574-R626 HydrophobicContact CG1-CG 3.97Å
575	P	73.7	Confident	71.6	Confident	32 Å²	32	20.9 Å²	20.9	21%	0.208	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	123.7	163.5	29.7	-28.9	0	0	0	109.5	Y621	P575-Y621 HydrophobicContact CB-CD1 4.13Å; P575-Y621 HydrophobicContact CB-CE1 3.66Å; P575-Y621 HydrophobicContact CG-CD1 4.05Å; P575-Y621 HydrophobicContact CG-CE1 4.1Å
576	L	73.1	Confident	72.9	Confident	5 Å²	5	21.2 Å²	21.2	3%	0.026	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-15.2	175.2	-58.4	175.6	0	0	0	111.9	N556 I558 I574 I578 Q579 L581 T597	N556-L576 HydrophobicContact CB-CB 3.92Å; N556-L576 PolarHBondContact O-N 3.5Å; I558-L576 HydrophobicContact CD1-CD2 4.28Å; I558-L576 HydrophobicContact CG1-CD1 3.87Å; I558-L576 HydrophobicContact CG1-CD2 4.21Å; I558-L576 HydrophobicContact CG1-CG 4.15Å; I574-L576 HydrophobicContact CG2-CD2 3.75Å; I574-L576 HydrophobicContact CG2-CG 4.44Å; L576-I578 PolarHBondContact O-N 3.2Å; L576-I578 VanDerWaalsContact O-N 3.13Å; L576-Q579 HydrophobicContact CB-CB 4.26Å; L576-Q579 VanDerWaalsContact CB-O 3.31Å; L576-Q579 WeakPolarHBondContact CB-O 3.49Å; L576-Q579 WeakPolarHBondContact O-CB 3.26Å; L576-Q579 PolarHBondContact O-N 2.89Å; L576-L581 HydrophobicContact CD1-CB 4.17Å; L576-T597 HydrophobicContact CD2-CG2 3.86Å
577	G	71.9	Confident	74.4	Confident	22 Å²	22	21.2 Å²	21.2	23%	0.227	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	64.7	-109.3	-175.8	0	0	0	0	0	110.5	M554 N556	M554-G577 CarbonylContact O-C 3.58Å; M554-G577 WeakPolarHBondContact O-CA 3.26Å; M554-G577 VanDerWaalsContact O-O 3.05Å; N556-G577 WeakPolarHBondContact CB-O 3.17Å; N556-G577 VanDerWaalsContact CG-O 3.28Å; N556-G577 PolarHBondContact N-O 2.91Å; N556-G577 PolarHBondContact O-N 3.18Å
578	I	70.3	Confident	75.7	Confident	44 Å²	44	19.5 Å²	19.5	23%	0.226	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-10.7	173.9	63.9	174.8	0	0	0	114.4	F551 M554 L576	F551-I578 HydrophobicContact CD1-CG2 3.65Å; F551-I578 HydrophobicContact CE1-CD1 4.14Å; F551-I578 HydrophobicContact CE1-CG2 3.76Å; M554-I578 HydrophobicContact CB-CG2 4.28Å; M554-I578 HydrophobicContact CE-CG2 3.57Å; M554-I578 HydrophobicContact SD-CG2 4.1Å; L576-I578 PolarHBondContact O-N 3.2Å; L576-I578 VanDerWaalsContact O-N 3.13Å
579	Q	78.3	Confident	77.5	Confident	2 Å²	2	16 Å²	16	1%	0.009	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-72.1	146.7	-179.7	-53.8	-170.2	-1.6	0	0	110.2	N556 L576 T597 D598 R599	N556-Q579 WeakPolarHBondContact CB-O 3.42Å; N556-Q579 PolarHBondContact ND2-O 2.69Å; L576-Q579 HydrophobicContact CB-CB 4.26Å; L576-Q579 VanDerWaalsContact CB-O 3.31Å; L576-Q579 WeakPolarHBondContact CB-O 3.49Å; L576-Q579 WeakPolarHBondContact O-CB 3.26Å; L576-Q579 PolarHBondContact O-N 2.89Å; Q579-T597 HydrophobicContact CB-CG2 4.06Å; Q579-T597 PolarHBondContact OE1-OG1 3.01Å; Q579-D598 WeakPolarHBondContact CA-OD1 3.35Å; Q579-R599 HydrophobicContact CG-CB 4.24Å; Q579-R599 HydrophobicContact CG-CG 3.94Å
580	S	80	Confident	79.2	Confident	20 Å²	20	15.5 Å²	15.5	14%	0.14	9%	0.094	C	C	.	.	P	Polyproline II helix	trans	-102.9	147.4	177.9	-57	0	0	0	0	110.5	T582 T597 D598	S580-T582 PolarHBondContact O-N 2.77Å; S580-T597 VanDerWaalsContact O-CA 3.27Å; S580-T597 WeakPolarHBondContact O-CA 3.45Å; S580-T597 WeakPolarHBondContact O-CB 3.31Å; S580-D598 PolarHBondContact N-OD1 3.36Å; S580-D598 PolarHBondContact O-N 3.07Å
581	L	85.3	Confident	80.2	Confident	3 Å²	3	14.2 Å²	14.2	2%	0.016	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	119.1	178	177.9	68.5	0	0	0	109.3	S529 E531 I558 L576 S583 V584 C595	S529-L581 WeakPolarHBondContact OG-CB 3.42Å; E531-L581 PolarHBondContact OE1-N 2.97Å; I558-L581 HydrophobicContact CD1-CD1 3.77Å; I558-L581 HydrophobicContact CG1-CD1 4.3Å; L576-L581 HydrophobicContact CD1-CB 4.17Å; L581-S583 WeakPolarHBondContact CD1-O 3.49Å; L581-V584 HydrophobicContact CD1-CB 4.45Å; L581-V584 HydrophobicContact CD2-CB 4.44Å; L581-C595 HydrophobicContact CD1-CB 3.81Å
582	T	87.1	Confident	81.2	Confident	10 Å²	10	13.8 Å²	13.8	6%	0.061	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-39.1	179.3	52	0	0	0	0	112.6	S580 S596 T597 D598 K774 I775	S580-T582 PolarHBondContact O-N 2.77Å; T582-S596 PolarHBondContact N-O 2.92Å; T582-S596 VanDerWaalsContact OG1-C 3.28Å; T582-S596 PolarHBondContact OG1-O 2.89Å; T582-S596 VanDerWaalsContact OG1-O 3.08Å; T582-S596 PolarHBondContact OG1-OG 2.69Å; T582-T597 WeakPolarHBondContact OG1-CA 3.22Å; T582-T597 PolarHBondContact OG1-N 3.44Å; T582-T597 PolarHBondContact OG1-O 3.23Å; T582-D598 HydrophobicContact CG2-CB 3.84Å; T582-D598 VanDerWaalsContact CG2-N 3.28Å; T582-K774 HydrophobicContact CG2-CG 4.09Å; T582-I775 WeakPolarHBondContact CB-O 3.46Å; T582-I775 PolarHBondContact OG1-O 3.17Å
583	S	91.5	Very high	82.1	Confident	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	153.2	171.5	-167.4	0	0	0	0	113.5	E516 L581 C595 S596 R779	E516-S583 WeakPolarHBondContact OE2-CA 3.47Å; E516-S583 WeakPolarHBondContact OE2-CB 3.35Å; E516-S583 PolarHBondContact OE2-OG 2.97Å; L581-S583 WeakPolarHBondContact CD1-O 3.49Å; S583-C595 CarbonylContact O-C 3.59Å; S583-C595 WeakPolarHBondContact O-CA 3.46Å; S583-S596 PolarHBondContact O-N 3.17Å; S583-R779 PolarHBondContact OG-NH1 2.82Å; S583-R779 VanDerWaalsContact OG-NH1 3.16Å
584	V	91.9	Very high	83.1	Confident	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	147.5	175.6	66	0	0	0	0	109.8	E516 I518 V527 L581 L593 V594 R779	E516-V584 HydrophobicContact CB-CG1 4.2Å; E516-V584 HydrophobicContact CG-CG1 4.05Å; E516-V584 PolarHBondContact OE2-N 3.13Å; I518-V584 HydrophobicContact CD1-CG1 4.06Å; I518-V584 HydrophobicContact CD1-CG2 4.01Å; I518-V584 HydrophobicContact CG1-CG1 3.98Å; I518-V584 HydrophobicContact CG1-CG2 4.45Å; I518-V584 HydrophobicContact CG2-CG1 3.97Å; V527-V584 HydrophobicContact CG1-CG2 4.35Å; L581-V584 HydrophobicContact CD1-CB 4.45Å; L581-V584 HydrophobicContact CD2-CB 4.44Å; V584-L593 HydrophobicContact CG2-CD1 3.67Å; V584-L593 HydrophobicContact CG2-CD2 4.24Å; V584-L593 HydrophobicContact CG2-CG 4Å; V584-V594 WeakPolarHBondContact CA-O 3.46Å; V584-V594 WeakPolarHBondContact CG2-O 3.49Å; V584-R779 PolarHBondContact O-NH1 3.08Å
585	D	92.9	Very high	84	Confident	33 Å²	33	12.6 Å²	12.6	18%	0.176	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	160.8	172.1	-166.5	27.8	0	0	0	111.4	V594 R779 F780	D585-V594 HydrophobicContact CB-CG1 3.76Å; D585-V594 PolarHBondContact N-O 2.86Å; D585-V594 PolarHBondContact O-N 3.36Å; D585-R779 VanDerWaalsContact OD2-CA 3.26Å; D585-R779 WeakPolarHBondContact OD2-CA 3.43Å; D585-R779 WeakPolarHBondContact OD2-CD 3.32Å; D585-F780 PolarHBondContact OD2-N 3.07Å
586	F	89.8	Confident	84.8	Confident	24 Å²	24	11.1 Å²	11.1	11%	0.105	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	125.9	-175.9	-177.6	-96.4	0	0	0	111.6	I518 I520 D588 A592 L593 V609	I518-F586 HydrophobicContact CD1-CB 3.89Å; I520-F586 HydrophobicContact CB-CD1 4.26Å; I520-F586 HydrophobicContact CB-CD2 4.4Å; I520-F586 HydrophobicContact CB-CE1 4.28Å; I520-F586 HydrophobicContact CB-CE2 4.43Å; I520-F586 HydrophobicContact CB-CG 4.31Å; I520-F586 HydrophobicContact CB-CZ 4.36Å; I520-F586 HydrophobicContact CG2-CB 4.5Å; I520-F586 HydrophobicContact CG2-CD1 4.47Å; I520-F586 HydrophobicContact CG2-CD2 3.91Å; I520-F586 HydrophobicContact CG2-CE2 4.25Å; I520-F586 HydrophobicContact CG2-CG 4.03Å; F586-D588 WeakPolarHBondContact CD1-OD1 2.91Å; F586-D588 WeakPolarHBondContact CE1-OD1 3.43Å; F586-A592 WeakPolarHBondContact CA-O 3.45Å; F586-A592 WeakPolarHBondContact CD2-O 3.48Å; F586-L593 HydrophobicContact CB-CD1 4.34Å; F586-L593 HydrophobicContact CD2-CD1 4.15Å; F586-V609 HydrophobicContact CD2-CG2 4.42Å; F586-V609 HydrophobicContact CE2-CG2 3.73Å
587	S	89.4	Confident	85.5	Confident	7 Å²	7	11 Å²	11	5%	0.049	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	115	174.9	179.3	0	0	0	0	110.5	L590 N591 A592	S587-L590 PolarHBondContact OG-N 3.22Å; S587-N591 VanDerWaalsContact O-CA 3.23Å; S587-N591 WeakPolarHBondContact O-CA 3.25Å; S587-N591 PolarHBondContact O-N 3.46Å; S587-A592 PolarHBondContact N-O 2.87Å; S587-A592 PolarHBondContact O-N 2.69Å
588	D	83	Confident	86.1	Confident	36 Å²	36	10.6 Å²	10.6	19%	0.193	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-42.2	173.8	-71.7	-15.3	0	0	0	112.2	R416 S521 F586 L590 N591	R416-D588 IonicContact CZ-OD2 3.29Å; R416-D588 IonicContact NE-OD2 2.88Å; R416-D588 IonicContact NH1-OD2 2.66Å; R416-D588 PolarHBondContact NH1-OD2 3.25Å; R416-D588 IonicContact NH2-OD2 3.19Å; R416-D588 PolarHBondContact NH2-OD2 3.14Å; S521-D588 WeakPolarHBondContact CB-OD1 3.31Å; S521-D588 PolarHBondContact OG-OD1 3.14Å; F586-D588 WeakPolarHBondContact CD1-OD1 2.91Å; F586-D588 WeakPolarHBondContact CE1-OD1 3.43Å; D588-L590 VanDerWaalsContact C-N 3.32Å; D588-L590 PolarHBondContact O-N 3.41Å; D588-N591 PolarHBondContact O-N 2.99Å
589	S	85.2	Confident	86.7	Confident	8 Å²	8	10.2 Å²	10.2	6%	0.056	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-34.3	-177.8	-54.2	0	0	0	0	112.5	F136 S139	F136-S589 WeakPolarHBondContact CA-O 3Å; F136-S589 WeakPolarHBondContact CD2-O 3.4Å; S139-S589 PolarHBondContact OG-OG 3.48Å
590	L	84.2	Confident	87.1	Confident	9 Å²	9	10.1 Å²	10.1	5%	0.047	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-9.7	179.2	-57.5	-178.8	0	0	0	113.5	S587 D588 A592 F780 A787 T788 L807 F812	S587-L590 PolarHBondContact OG-N 3.22Å; D588-L590 VanDerWaalsContact C-N 3.32Å; D588-L590 PolarHBondContact O-N 3.41Å; L590-A592 HydrophobicContact CB-CB 3.94Å; L590-A592 PolarHBondContact O-N 3.44Å; L590-F780 HydrophobicContact CD1-CE1 4.27Å; L590-A787 HydrophobicContact CD1-CB 4.39Å; L590-A787 WeakPolarHBondContact CD1-O 3.15Å; L590-A787 HydrophobicContact CD2-CB 4.32Å; L590-A787 HydrophobicContact CG-CB 4.15Å; L590-T788 HydrophobicContact CD1-CG2 4.16Å; L590-L807 HydrophobicContact CB-CD1 4.36Å; L590-L807 HydrophobicContact CD1-CB 4.02Å; L590-L807 HydrophobicContact CD1-CD1 3.61Å; L590-L807 HydrophobicContact CD1-CG 4.48Å; L590-F812 HydrophobicContact CD2-CD2 4.4Å; L590-F812 HydrophobicContact CD2-CE2 3.61Å; L590-F812 HydrophobicContact CD2-CZ 4.04Å
591	N	81.6	Confident	87.6	Confident	7 Å²	7	9.4 Å²	9.4	4%	0.037	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	38.3	-171.9	-168.4	10.6	0	0	0	112.2	K135 S587 D588 S608	K135-N591 HydrophobicContact CB-CB 4.21Å; K135-N591 WeakPolarHBondContact CE-ND2 3.44Å; K135-N591 HydrophobicContact CG-CB 4.11Å; S587-N591 VanDerWaalsContact O-CA 3.23Å; S587-N591 WeakPolarHBondContact O-CA 3.25Å; S587-N591 PolarHBondContact O-N 3.46Å; D588-N591 PolarHBondContact O-N 2.99Å; N591-S608 WeakPolarHBondContact ND2-CB 3.45Å; N591-S608 PolarHBondContact ND2-OG 3.35Å; N591-S608 PolarHBondContact OD1-OG 3.13Å
592	A	83.6	Confident	87.9	Confident	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	143.2	-169.2	0	0	0	0	0	111.4	F586 S587 L590 I605 F780 L807	F586-A592 WeakPolarHBondContact CA-O 3.45Å; F586-A592 WeakPolarHBondContact CD2-O 3.48Å; S587-A592 PolarHBondContact N-O 2.87Å; S587-A592 PolarHBondContact O-N 2.69Å; L590-A592 HydrophobicContact CB-CB 3.94Å; L590-A592 PolarHBondContact O-N 3.44Å; A592-I605 WeakPolarHBondContact CA-O 3.41Å; A592-I605 WeakPolarHBondContact CB-O 3.45Å; A592-F780 HydrophobicContact CB-CZ 4.13Å; A592-F780 WeakPolarHBondContact O-CE2 3.27Å; A592-L807 HydrophobicContact CB-CD1 3.75Å; A592-L807 HydrophobicContact CB-CD2 4.41Å
593	L	87.6	Confident	88	Confident	2 Å²	2	9 Å²	9	1%	0.01	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	136.4	176.3	-168.9	82.4	0	0	0	109.5	I518 V527 I558 L573 V584 F586 V604 I605	I518-L593 HydrophobicContact CD1-CD1 4.2Å; V527-L593 HydrophobicContact CB-CD1 4.42Å; V527-L593 HydrophobicContact CG1-CD1 3.96Å; V527-L593 HydrophobicContact CG1-CD2 3.74Å; V527-L593 HydrophobicContact CG2-CD1 4.44Å; I558-L593 HydrophobicContact CG2-CD2 4.3Å; L573-L593 HydrophobicContact CD1-CD2 3.97Å; V584-L593 HydrophobicContact CG2-CD1 3.67Å; V584-L593 HydrophobicContact CG2-CD2 4.24Å; V584-L593 HydrophobicContact CG2-CG 4Å; F586-L593 HydrophobicContact CB-CD1 4.34Å; F586-L593 HydrophobicContact CD2-CD1 4.15Å; L593-V604 CarbonylContact O-C 3.56Å; L593-V604 VanDerWaalsContact O-CA 3.26Å; L593-V604 WeakPolarHBondContact O-CA 3.41Å; L593-I605 HydrophobicContact CB-CB 4.31Å; L593-I605 HydrophobicContact CB-CD1 4.46Å; L593-I605 HydrophobicContact CB-CG1 4.49Å; L593-I605 HydrophobicContact CD2-CD1 3.91Å; L593-I605 PolarHBondContact N-O 3.04Å; L593-I605 PolarHBondContact O-N 3.19Å
594	V	91.6	Very high	87.8	Confident	0 Å²	0	9 Å²	9	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	143.5	165.2	64.5	0	0	0	0	109.8	V584 D585 I602 V604 V778 F780 I790	V584-V594 WeakPolarHBondContact CA-O 3.46Å; V584-V594 WeakPolarHBondContact CG2-O 3.49Å; D585-V594 HydrophobicContact CB-CG1 3.76Å; D585-V594 PolarHBondContact N-O 2.86Å; D585-V594 PolarHBondContact O-N 3.36Å; V594-I602 HydrophobicContact CG2-CG2 3.78Å; V594-V604 HydrophobicContact CB-CG2 3.78Å; V594-V604 HydrophobicContact CG2-CG2 3.78Å; V594-V778 HydrophobicContact CB-CG2 4.44Å; V594-V778 HydrophobicContact CG1-CG1 4.07Å; V594-V778 HydrophobicContact CG1-CG2 3.94Å; V594-V778 HydrophobicContact CG2-CG1 4.23Å; V594-V778 HydrophobicContact CG2-CG2 3.58Å; V594-F780 HydrophobicContact CB-CD2 4.31Å; V594-F780 HydrophobicContact CB-CE2 3.63Å; V594-F780 HydrophobicContact CB-CZ 3.98Å; V594-F780 HydrophobicContact CG1-CD2 3.62Å; V594-F780 HydrophobicContact CG1-CE2 3.43Å; V594-F780 VanDerWaalsContact CG1-CE2 3.43Å; V594-F780 HydrophobicContact CG1-CZ 4.2Å; V594-I790 HydrophobicContact CB-CD1 4.12Å; V594-I790 HydrophobicContact CG2-CD1 3.93Å
595	C	91.3	Very high	87.2	Confident	1 Å²	1	9.4 Å²	9.4	1%	0.007	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	156.8	173.2	67.7	0	0	0	0	111.7	I558 I574 L581 S583 I602 E603	I558-C595 HydrophobicContact CD1-CB 3.24Å; I558-C595 WeakPolarHBondContact CD1-SG 3.43Å; I574-C595 WeakPolarHBondContact CD1-SG 3.35Å; L581-C595 HydrophobicContact CD1-CB 3.81Å; S583-C595 CarbonylContact O-C 3.59Å; S583-C595 WeakPolarHBondContact O-CA 3.46Å; C595-I602 WeakPolarHBondContact O-CA 3.29Å; C595-E603 PolarHBondContact N-O 2.94Å; C595-E603 PolarHBondContact O-N 3.44Å; C595-E603 PolarHBondContact SG-O 2.94Å
596	S	91.6	Very high	85.9	Confident	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	160.2	174.5	68.5	0	0	0	0	112.9	T582 S583 R601 I775	T582-S596 PolarHBondContact N-O 2.92Å; T582-S596 VanDerWaalsContact OG1-C 3.28Å; T582-S596 PolarHBondContact OG1-O 2.89Å; T582-S596 VanDerWaalsContact OG1-O 3.08Å; T582-S596 PolarHBondContact OG1-OG 2.69Å; S583-S596 PolarHBondContact O-N 3.17Å; S596-R601 CarbonylContact C-O 3.36Å; S596-R601 VanDerWaalsContact CA-O 3.23Å; S596-R601 WeakPolarHBondContact CA-O 3.25Å; S596-I775 VanDerWaalsContact CB-CG2 3.46Å; S596-I775 WeakPolarHBondContact OG-CG2 3.49Å
597	T	88.1	Confident	84.6	Confident	2 Å²	2	8.1 Å²	8.1	1%	0.012	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	169.3	-173.6	75.1	0	0	0	0	115	L576 Q579 S580 T582 R599 G600 R601 I775	L576-T597 HydrophobicContact CD2-CG2 3.86Å; Q579-T597 HydrophobicContact CB-CG2 4.06Å; Q579-T597 PolarHBondContact OE1-OG1 3.01Å; S580-T597 VanDerWaalsContact O-CA 3.27Å; S580-T597 WeakPolarHBondContact O-CA 3.45Å; S580-T597 WeakPolarHBondContact O-CB 3.31Å; T582-T597 WeakPolarHBondContact OG1-CA 3.22Å; T582-T597 PolarHBondContact OG1-N 3.44Å; T582-T597 PolarHBondContact OG1-O 3.23Å; T597-R599 PolarHBondContact O-N 2.87Å; T597-R599 PolarHBondContact OG1-N 3.07Å; T597-G600 PolarHBondContact O-N 3.01Å; T597-R601 HydrophobicContact CG2-CB 4.21Å; T597-R601 PolarHBondContact N-O 3.1Å; T597-R601 WeakPolarHBondContact OG1-CB 3.47Å; T597-R601 PolarHBondContact OG1-N 2.87Å; T597-I775 PolarHBondContact O-N 2.93Å; T597-I775 VanDerWaalsContact O-N 3.11Å
598	D	83.7	Confident	82.9	Confident	14 Å²	14	8.4 Å²	8.4	8%	0.075	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-8.7	173.7	70.3	-46.7	0	0	0	113.8	Q579 S580 T582 K774	Q579-D598 WeakPolarHBondContact CA-OD1 3.35Å; S580-D598 PolarHBondContact N-OD1 3.36Å; S580-D598 PolarHBondContact O-N 3.07Å; T582-D598 HydrophobicContact CG2-CB 3.84Å; T582-D598 VanDerWaalsContact CG2-N 3.28Å; D598-K774 WeakPolarHBondContact O-CA 3.39Å
599	R	82.9	Confident	81.4	Confident	36 Å²	36	7.2 Å²	7.2	14%	0.136	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	28.5	179.9	-50.9	-56.4	164.4	94.8	7.5	113.1	Q579 T597 R601 Q631 F767 T770	Q579-R599 HydrophobicContact CG-CB 4.24Å; Q579-R599 HydrophobicContact CG-CG 3.94Å; T597-R599 PolarHBondContact O-N 2.87Å; T597-R599 PolarHBondContact OG1-N 3.07Å; R599-R601 VanDerWaalsContact C-N 3.31Å; R599-R601 PolarHBondContact O-N 2.84Å; R599-Q631 PolarHBondContact O-NE2 3.15Å; R599-F767 HydrophobicContact CB-CB 4.32Å; R599-F767 HydrophobicContact CG-CB 4.38Å; R599-F767 PolarHBondContact NH1-O 3.14Å; R599-T770 WeakPolarHBondContact CD-OG1 3.48Å
600	G	87.8	Confident	79.8	Confident	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.042	C	C	.	.	S	Bend	trans	73	16.8	172.2	0	0	0	0	0	115.8	T597 Q631 W632 L773	T597-G600 PolarHBondContact O-N 3.01Å; G600-Q631 WeakPolarHBondContact O-CA 3.41Å; G600-W632 PolarHBondContact O-N 2.98Å; G600-L773 WeakPolarHBondContact CA-O 3.32Å; G600-L773 PolarHBondContact N-O 3.48Å
601	R	88.9	Confident	78.3	Confident	5 Å²	5	11.5 Å²	11.5	2%	0.019	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	139.2	178.2	-162.6	174.7	178.5	93.5	0.4	110.7	S596 T597 R599 E603 Q631 P760	S596-R601 CarbonylContact C-O 3.36Å; S596-R601 VanDerWaalsContact CA-O 3.23Å; S596-R601 WeakPolarHBondContact CA-O 3.25Å; T597-R601 HydrophobicContact CG2-CB 4.21Å; T597-R601 PolarHBondContact N-O 3.1Å; T597-R601 WeakPolarHBondContact OG1-CB 3.47Å; T597-R601 PolarHBondContact OG1-N 2.87Å; R599-R601 VanDerWaalsContact C-N 3.31Å; R599-R601 PolarHBondContact O-N 2.84Å; R601-E603 HydrophobicContact CG-CG 4.34Å; R601-E603 IonicContact CZ-OE1 3.93Å; R601-E603 IonicContact NE-OE1 3.89Å; R601-E603 PolarHBondContact NE-OE1 2.85Å; R601-E603 IonicContact NH2-OE1 2.93Å; R601-E603 PolarHBondContact NH2-OE1 2.95Å; R601-Q631 VanDerWaalsContact CB-OE1 3.3Å; R601-Q631 VanDerWaalsContact CG-OE1 3.26Å; R601-P760 PolarHBondContact NH1-O 2.99Å; R601-P760 VanDerWaalsContact NH1-O 3.14Å; R601-P760 PolarHBondContact NH2-O 3.4Å
602	I	92.3	Very high	76.7	Confident	1 Å²	1	14.3 Å²	14.3	1%	0.005	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	127.5	167.6	-59	105.3	0	0	0	109.4	V594 C595 L629 C630 I775 V792	V594-I602 HydrophobicContact CG2-CG2 3.78Å; C595-I602 WeakPolarHBondContact O-CA 3.29Å; I602-L629 HydrophobicContact CG2-CB 4.4Å; I602-L629 HydrophobicContact CG2-CD1 4.17Å; I602-L629 PolarHBondContact O-N 2.98Å; I602-C630 HydrophobicContact CB-CB 4.4Å; I602-C630 HydrophobicContact CD1-CB 3.75Å; I602-C630 PolarHBondContact N-O 2.83Å; I602-C630 PolarHBondContact O-N 2.93Å; I602-I775 HydrophobicContact CD1-CD1 4.12Å; I602-I775 HydrophobicContact CD1-CG1 4.05Å; I602-I775 HydrophobicContact CG1-CG1 4.26Å; I602-V792 HydrophobicContact CD1-CG1 3.81Å; I602-V792 HydrophobicContact CD1-CG2 4.31Å; I602-V792 HydrophobicContact CG1-CG1 4.17Å; I602-V792 HydrophobicContact CG1-CG2 4.31Å
603	E	88.9	Confident	74.8	Confident	4 Å²	4	20.4 Å²	20.4	2%	0.019	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	146.3	173	-60.8	-160.8	172.8	0	0	111.5	I574 C595 R601 R626 P628	I574-E603 HydrophobicContact CD1-CB 3.95Å; I574-E603 WeakPolarHBondContact CG2-OE2 3.49Å; C595-E603 PolarHBondContact N-O 2.94Å; C595-E603 PolarHBondContact O-N 3.44Å; C595-E603 PolarHBondContact SG-O 2.94Å; R601-E603 HydrophobicContact CG-CG 4.34Å; R601-E603 IonicContact CZ-OE1 3.93Å; R601-E603 IonicContact NE-OE1 3.89Å; R601-E603 PolarHBondContact NE-OE1 2.85Å; R601-E603 IonicContact NH2-OE1 2.93Å; R601-E603 PolarHBondContact NH2-OE1 2.95Å; E603-R626 IonicContact OE1-CZ 3.81Å; E603-R626 IonicContact OE1-NH2 2.75Å; E603-R626 PolarHBondContact OE1-NH2 3.32Å; E603-R626 IonicContact OE2-CZ 3.21Å; E603-R626 IonicContact OE2-NE 2.79Å; E603-R626 PolarHBondContact OE2-NE 3.41Å; E603-R626 IonicContact OE2-NH2 2.81Å; E603-R626 PolarHBondContact OE2-NH2 3.21Å; E603-P628 HydrophobicContact CG-CB 4.41Å
604	V	86.6	Confident	72.6	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	149.9	171.7	156.1	0	0	0	0	110.7	L593 V594 R626 I627 L629 F780 I790 L807	L593-V604 CarbonylContact O-C 3.56Å; L593-V604 VanDerWaalsContact O-CA 3.26Å; L593-V604 WeakPolarHBondContact O-CA 3.41Å; V594-V604 HydrophobicContact CB-CG2 3.78Å; V594-V604 HydrophobicContact CG2-CG2 3.78Å; V604-R626 WeakPolarHBondContact O-CA 3.35Å; V604-I627 HydrophobicContact CB-CB 4.38Å; V604-I627 HydrophobicContact CG1-CD1 4.46Å; V604-I627 PolarHBondContact N-O 2.83Å; V604-I627 PolarHBondContact O-N 2.9Å; V604-L629 HydrophobicContact CB-CD1 4.17Å; V604-L629 HydrophobicContact CB-CG 4.39Å; V604-L629 HydrophobicContact CG2-CD1 3.52Å; V604-L629 HydrophobicContact CG2-CG 4.26Å; V604-F780 HydrophobicContact CG2-CZ 4.28Å; V604-I790 HydrophobicContact CG2-CD1 3.92Å; V604-L807 HydrophobicContact CG1-CD1 3.99Å; V604-L807 HydrophobicContact CG1-CD2 4.24Å; V604-L807 HydrophobicContact CG1-CG 4.41Å
605	I	79.5	Confident	70.2	Confident	9 Å²	9	26 Å²	26	5%	0.046	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	118.4	167.3	-47.5	179.4	0	0	0	108.1	L573 I574 A592 L593 M625	L573-I605 HydrophobicContact CB-CD1 3.59Å; L573-I605 HydrophobicContact CD1-CD1 3.89Å; L573-I605 HydrophobicContact CD2-CD1 4.39Å; L573-I605 HydrophobicContact CG-CD1 4.18Å; I574-I605 HydrophobicContact CD1-CD1 3.7Å; I574-I605 HydrophobicContact CD1-CG1 3.59Å; I574-I605 HydrophobicContact CG1-CD1 3.82Å; I574-I605 HydrophobicContact CG1-CG1 4.01Å; A592-I605 WeakPolarHBondContact CA-O 3.41Å; A592-I605 WeakPolarHBondContact CB-O 3.45Å; L593-I605 HydrophobicContact CB-CB 4.31Å; L593-I605 HydrophobicContact CB-CD1 4.46Å; L593-I605 HydrophobicContact CB-CG1 4.49Å; L593-I605 HydrophobicContact CD2-CD1 3.91Å; L593-I605 PolarHBondContact N-O 3.04Å; L593-I605 PolarHBondContact O-N 3.19Å; I605-M625 WeakPolarHBondContact CA-O 3.36Å; I605-M625 HydrophobicContact CG2-CB 4.19Å
606	A	66	Low	67.9	Low	11 Å²	11	30.5 Å²	30.5	9%	0.091	15%	0.154	C	C	.	.			trans	-86.4	-5.5	-171.1	0	0	0	0	0	115.2	M625 I627 L807	A606-M625 PolarHBondContact N-O 3.33Å; A606-I627 HydrophobicContact CB-CD1 3.73Å; A606-I627 HydrophobicContact CB-CG1 4.38Å; A606-L807 HydrophobicContact CB-CD2 3.41Å; A606-L807 VanDerWaalsContact CB-CD2 3.41Å
607	E	63	Low	65.4	Low	18 Å²	18	34.8 Å²	34.8	8%	0.084	18%	0.183	C	C	.	.	S	Bend	trans	-117.8	145.5	-173.8	-169.6	173.7	-126.2	0	0	112.4	P128 V609 K611 M625	P128-E607 VanDerWaalsContact CG-OE1 3.25Å; P128-E607 WeakPolarHBondContact CG-OE1 3.42Å; E607-V609 PolarHBondContact O-N 3.07Å; E607-V609 VanDerWaalsContact O-N 3.12Å; E607-K611 VanDerWaalsContact CD-CE 3.44Å; E607-K611 VanDerWaalsContact OE1-CE 3.28Å; E607-K611 WeakPolarHBondContact OE1-CE 3.44Å; E607-K611 IonicContact OE1-NZ 3.77Å; E607-K611 PolarHBondContact OE1-NZ 2.66Å; E607-K611 WeakPolarHBondContact OE2-CD 3.43Å; E607-K611 VanDerWaalsContact OE2-CE 3.29Å; E607-K611 WeakPolarHBondContact OE2-CE 3.48Å; E607-K611 IonicContact OE2-NZ 2.68Å; E607-K611 PolarHBondContact OE2-NZ 2.88Å; E607-M625 HydrophobicContact CB-CB 4.04Å; E607-M625 HydrophobicContact CB-CG 3.67Å; E607-M625 HydrophobicContact CB-SD 3.71Å; E607-M625 HydrophobicContact CG-CG 4.48Å; E607-M625 HydrophobicContact CG-SD 4.34Å
608	S	52.7	Low	63	Low	13 Å²	13	41.5 Å²	41.5	9%	0.091	21%	0.209	C	C	.	.			trans	-48	118.4	178.5	-165.7	0	0	0	0	112.8	N591 E610 K611	N591-S608 WeakPolarHBondContact ND2-CB 3.45Å; N591-S608 PolarHBondContact ND2-OG 3.35Å; N591-S608 PolarHBondContact OD1-OG 3.13Å; S608-E610 PolarHBondContact O-N 3.01Å; S608-E610 VanDerWaalsContact OG-CB 3.24Å; S608-E610 WeakPolarHBondContact OG-CB 3.39Å; S608-E610 WeakPolarHBondContact OG-CG 3.19Å; S608-E610 PolarHBondContact OG-N 3.2Å; S608-E610 PolarHBondContact OG-OE2 2.88Å; S608-K611 PolarHBondContact O-N 2.81Å
609	V	52.8	Low	61.2	Low	11 Å²	11	44.1 Å²	44.1	7%	0.067	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-12.2	169.9	-124.1	0	0	0	0	111.5	I520 Q560 L573 F586 E607 K611	I520-V609 HydrophobicContact CD1-CB 3.99Å; I520-V609 HydrophobicContact CD1-CG2 3.89Å; Q560-V609 HydrophobicContact CB-CG1 4.06Å; Q560-V609 VanDerWaalsContact CD-CG1 3.42Å; Q560-V609 VanDerWaalsContact CD-O 3.3Å; Q560-V609 HydrophobicContact CG-CG1 3.96Å; Q560-V609 PolarHBondContact NE2-O 3.05Å; Q560-V609 PolarHBondContact OE1-O 3.04Å; Q560-V609 VanDerWaalsContact OE1-O 3.12Å; L573-V609 HydrophobicContact CD1-CG1 3.86Å; L573-V609 HydrophobicContact CD2-CG1 4.03Å; F586-V609 HydrophobicContact CD2-CG2 4.42Å; F586-V609 HydrophobicContact CE2-CG2 3.73Å; E607-V609 PolarHBondContact O-N 3.07Å; E607-V609 VanDerWaalsContact O-N 3.12Å; V609-K611 PolarHBondContact O-N 3.29Å
610	E	51.5	Low	59.4	Low	27 Å²	27	47.8 Å²	47.8	13%	0.126	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-8.9	179.2	-58.7	177.5	149.4	0	0	114.8	K135 N522 S608 R612	K135-E610 WeakPolarHBondContact CE-OE2 3.42Å; K135-E610 IonicContact NZ-OE1 3.93Å; K135-E610 PolarHBondContact NZ-OE1 3.2Å; K135-E610 IonicContact NZ-OE2 3.93Å; K135-E610 PolarHBondContact NZ-OE2 3.35Å; N522-E610 WeakPolarHBondContact ND2-CG 3.15Å; N522-E610 PolarHBondContact ND2-OE1 3Å; S608-E610 PolarHBondContact O-N 3.01Å; S608-E610 VanDerWaalsContact OG-CB 3.24Å; S608-E610 WeakPolarHBondContact OG-CB 3.39Å; S608-E610 WeakPolarHBondContact OG-CG 3.19Å; S608-E610 PolarHBondContact OG-N 3.2Å; S608-E610 PolarHBondContact OG-OE2 2.88Å; E610-R612 PolarHBondContact O-N 3.02Å
611	K	51.5	Low	57.7	Low	81 Å²	81	51.1 Å²	51.1	35%	0.352	26%	0.256	S	S	.	.			trans	-69.3	87.1	179.8	-78.7	-169.5	177.3	175.7	0	113.9	E607 S608 V609 K613	E607-K611 VanDerWaalsContact CD-CE 3.44Å; E607-K611 VanDerWaalsContact OE1-CE 3.28Å; E607-K611 WeakPolarHBondContact OE1-CE 3.44Å; E607-K611 IonicContact OE1-NZ 3.77Å; E607-K611 PolarHBondContact OE1-NZ 2.66Å; E607-K611 WeakPolarHBondContact OE2-CD 3.43Å; E607-K611 VanDerWaalsContact OE2-CE 3.29Å; E607-K611 WeakPolarHBondContact OE2-CE 3.48Å; E607-K611 IonicContact OE2-NZ 2.68Å; E607-K611 PolarHBondContact OE2-NZ 2.88Å; S608-K611 PolarHBondContact O-N 2.81Å; V609-K611 PolarHBondContact O-N 3.29Å; K611-K613 PolarHBondContact O-N 2.83Å
612	R	48.9	Very low	56.3	Low	65 Å²	65	53.5 Å²	53.5	25%	0.245	27%	0.269	C	S	.	.			trans	-64.4	10.5	176.7	-68.8	177.6	-177.8	-115	12.6	117	C120 R121 E524 F525 E610 C614	C120-R612 VanDerWaalsContact O-CZ 3.29Å; C120-R612 PolarHBondContact O-NH2 3.04Å; R121-R612 VanDerWaalsContact CG-NH1 3.28Å; E524-R612 IonicContact OE1-NH2 3.66Å; E524-R612 IonicContact OE2-CZ 2.71Å; E524-R612 IonicContact OE2-NE 2.72Å; E524-R612 PolarHBondContact OE2-NE 3.2Å; E524-R612 IonicContact OE2-NH2 2.66Å; E524-R612 PolarHBondContact OE2-NH2 3.06Å; F525-R612 HydrophobicContact CE1-CG 4.33Å; F525-R612 HydrophobicContact CZ-CG 3.65Å; E610-R612 PolarHBondContact O-N 3.02Å; R612-C614 PolarHBondContact O-N 2.88Å
613	K	43.6	Very low	54.5	Low	129 Å²	129	57.5 Å²	57.5	56%	0.561	30%	0.295	S	S	*	.			trans	-99.5	63.1	179.5	-90.3	-179.4	-176.9	156.3	0	112.5	D125 K611	D125-K613 IonicContact OD1-NZ 3.71Å; D125-K613 IonicContact OD2-NZ 2.69Å; D125-K613 PolarHBondContact OD2-NZ 3Å; K611-K613 PolarHBondContact O-N 2.83Å
614	C	42.1	Very low	53	Low	27 Å²	27	63.9 Å²	63.9	18%	0.182	33%	0.325	C	S	.	.			trans	-91.9	128.7	147.5	-76.3	0	0	0	0	108.3	R612 P616	R612-C614 PolarHBondContact O-N 2.88Å; C614-P616 WeakPolarHBondContact O-CD 3.28Å
615	D	40.5	Very low	52	Low	92 Å²	92	65.4 Å²	65.4	49%	0.492	33%	0.332	S	S	.	.			trans	-68.6	119.8	163.8	179.7	-25.8	0	0	0	106.4	S617 R618	D615-S617 PolarHBondContact O-N 3.4Å; D615-S617 VanDerWaalsContact OD1-CB 3.3Å; D615-S617 WeakPolarHBondContact OD1-CB 3.42Å; D615-S617 PolarHBondContact OD1-N 3.08Å; D615-S617 PolarHBondContact OD1-OG 3.01Å; D615-S617 PolarHBondContact OD2-OG 3.4Å; D615-R618 CarbonylContact O-C 3.23Å; D615-R618 PolarHBondContact O-N 3.37Å
616	P	43	Very low	51.8	Low	96 Å²	96	66.6 Å²	66.6	62%	0.623	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-14.4	-176.3	24.3	-33.9	0	0	0	113.3	C614	C614-P616 WeakPolarHBondContact O-CD 3.28Å
617	S	38.4	Very low	52.5	Low	89 Å²	89	66.2 Å²	66.2	62%	0.622	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-14.2	172.2	72.9	0	0	0	0	114.4	D615	D615-S617 PolarHBondContact O-N 3.4Å; D615-S617 VanDerWaalsContact OD1-CB 3.3Å; D615-S617 WeakPolarHBondContact OD1-CB 3.42Å; D615-S617 PolarHBondContact OD1-N 3.08Å; D615-S617 PolarHBondContact OD1-OG 3.01Å; D615-S617 PolarHBondContact OD2-OG 3.4Å
618	R	37.7	Very low	53.6	Low	144 Å²	144	66.3 Å²	66.3	54%	0.543	34%	0.335	S	S	.	.	S	Bend	trans	-145.9	109.4	179.2	-75.6	-171	168.1	-166.9	-7.7	112.3	D615 K620	D615-R618 CarbonylContact O-C 3.23Å; D615-R618 PolarHBondContact O-N 3.37Å; R618-K620 PolarHBondContact O-N 2.85Å
619	P	46.1	Very low	55.3	Low	69 Å²	69	65.8 Å²	65.8	45%	0.448	33%	0.331	S	S	.	.			trans	-63.4	104.7	164.9	27.5	-32.6	0	0	0	108.8	H572 Y621	H572-P619 HydrophobicContact CB-CB 4.11Å; H572-P619 WeakPolarHBondContact CD2-CB 3.27Å; P619-Y621 PolarHBondContact O-N 3.35Å
620	K	46.5	Very low	57.1	Low	113 Å²	113	65.2 Å²	65.2	49%	0.491	33%	0.328	S	S	.	.			trans	-81.5	109.6	169.7	-76.3	-170.4	174.9	-172.1	0	107.8	R618	R618-K620 PolarHBondContact O-N 2.85Å
621	Y	50.8	Low	58.8	Low	70 Å²	70	64 Å²	64	28%	0.275	32%	0.322	S	S	.	.			trans	-51.8	145.5	155.3	-69.3	-66.4	0	0	0	109.3	D555 H572 P575 P619 P623	D555-Y621 PolarHBondContact OD1-OH 3.24Å; D555-Y621 PolarHBondContact OD2-OH 3.22Å; H572-Y621 HydrophobicContact CB-CD1 3.92Å; H572-Y621 HydrophobicContact CB-CE1 3.83Å; H572-Y621 AromaticContact ND1-CE1 4Å; H572-Y621 WeakPolarHBondContact O-CA 3.4Å; P575-Y621 HydrophobicContact CB-CD1 4.13Å; P575-Y621 HydrophobicContact CB-CE1 3.66Å; P575-Y621 HydrophobicContact CG-CD1 4.05Å; P575-Y621 HydrophobicContact CG-CE1 4.1Å; P619-Y621 PolarHBondContact O-N 3.35Å; Y621-P623 WeakPolarHBondContact O-CD 3.38Å
622	I	59.5	Low	60.6	Low	54 Å²	54	60.2 Å²	60.2	28%	0.277	31%	0.305	S	S	.	.			trans	-112.2	83.6	179	-50.8	176.8	0	0	0	108.1	L573 M625	L573-I622 HydrophobicContact CD2-CD1 4.4Å; I622-M625 HydrophobicContact CG2-CB 3.86Å; I622-M625 HydrophobicContact CG2-CG 3.62Å
623	P	55	Low	62.3	Low	86 Å²	86	58 Å²	58	56%	0.558	30%	0.3	S	S	*	.			trans	-76.5	-27.6	-171.5	-11	29.6	0	0	0	112.1	Y621 M625	Y621-P623 WeakPolarHBondContact O-CD 3.38Å; P623-M625 VanDerWaalsContact C-N 3.33Å; P623-M625 PolarHBondContact O-N 3.29Å
624	E	57.5	Low	64.1	Low	137 Å²	137	53.2 Å²	53.2	64%	0.64	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-24.3	-172.2	-68.4	162.6	-153.5	0	0	113.4
625	M	65.6	Low	66	Low	32 Å²	32	55 Å²	55	16%	0.158	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	0.9	-177.2	-56.4	-59.8	169.3	0	0	113.2	I605 A606 E607 I622 P623	I605-M625 WeakPolarHBondContact CA-O 3.36Å; I605-M625 HydrophobicContact CG2-CB 4.19Å; A606-M625 PolarHBondContact N-O 3.33Å; E607-M625 HydrophobicContact CB-CB 4.04Å; E607-M625 HydrophobicContact CB-CG 3.67Å; E607-M625 HydrophobicContact CB-SD 3.71Å; E607-M625 HydrophobicContact CG-CG 4.48Å; E607-M625 HydrophobicContact CG-SD 4.34Å; I622-M625 HydrophobicContact CG2-CB 3.86Å; I622-M625 HydrophobicContact CG2-CG 3.62Å; P623-M625 VanDerWaalsContact C-N 3.33Å; P623-M625 PolarHBondContact O-N 3.29Å
626	R	75.3	Confident	68	Low	34 Å²	34	58 Å²	58	13%	0.128	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	125.7	-179.8	-75.9	173.5	60.4	-140.2	-1.9	110.6	I574 E603 V604	I574-R626 HydrophobicContact CG1-CG 3.97Å; E603-R626 IonicContact OE1-CZ 3.81Å; E603-R626 IonicContact OE1-NH2 2.75Å; E603-R626 PolarHBondContact OE1-NH2 3.32Å; E603-R626 IonicContact OE2-CZ 3.21Å; E603-R626 IonicContact OE2-NE 2.79Å; E603-R626 PolarHBondContact OE2-NE 3.41Å; E603-R626 IonicContact OE2-NH2 2.81Å; E603-R626 PolarHBondContact OE2-NH2 3.21Å; V604-R626 WeakPolarHBondContact O-CA 3.35Å
627	I	80.5	Confident	69.7	Low	3 Å²	3	55.6 Å²	55.6	2%	0.015	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	98.2	177.1	-49.7	-179.6	0	0	0	107.1	V604 A606 L629 Q806 L807 Y827	V604-I627 HydrophobicContact CB-CB 4.38Å; V604-I627 HydrophobicContact CG1-CD1 4.46Å; V604-I627 PolarHBondContact N-O 2.83Å; V604-I627 PolarHBondContact O-N 2.9Å; A606-I627 HydrophobicContact CB-CD1 3.73Å; A606-I627 HydrophobicContact CB-CG1 4.38Å; I627-L629 HydrophobicContact CB-CD2 4.42Å; I627-L629 HydrophobicContact CG2-CD2 3.66Å; I627-L629 PolarHBondContact O-N 3.05Å; I627-Q806 HydrophobicContact CD1-CB 3.69Å; I627-Q806 HydrophobicContact CG2-CB 4.21Å; I627-Q806 HydrophobicContact CG2-CG 4.16Å; I627-L807 HydrophobicContact CD1-CD2 4.26Å; I627-Y827 HydrophobicContact CD1-CD1 4.03Å; I627-Y827 HydrophobicContact CD1-CD2 4.18Å; I627-Y827 HydrophobicContact CD1-CE1 4.45Å; I627-Y827 HydrophobicContact CD1-CG 3.87Å; I627-Y827 HydrophobicContact CG1-CD1 3.89Å; I627-Y827 HydrophobicContact CG1-CE1 3.96Å; I627-Y827 HydrophobicContact CG1-CG 4.25Å
628	P	85.4	Confident	71.4	Confident	20 Å²	20	56.3 Å²	56.3	13%	0.13	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	121.6	169.7	30	-32.3	0	0	0	108.3	E603 V759	E603-P628 HydrophobicContact CG-CB 4.41Å; P628-V759 HydrophobicContact CB-CB 4.13Å; P628-V759 HydrophobicContact CB-CG1 3.73Å
629	L	89.1	Confident	72.3	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	-43.7	-173.3	-63.6	-177.7	0	0	0	112.5	I602 V604 I627 K756 I790 I802 V804	I602-L629 HydrophobicContact CG2-CB 4.4Å; I602-L629 HydrophobicContact CG2-CD1 4.17Å; I602-L629 PolarHBondContact O-N 2.98Å; V604-L629 HydrophobicContact CB-CD1 4.17Å; V604-L629 HydrophobicContact CB-CG 4.39Å; V604-L629 HydrophobicContact CG2-CD1 3.52Å; V604-L629 HydrophobicContact CG2-CG 4.26Å; I627-L629 HydrophobicContact CB-CD2 4.42Å; I627-L629 HydrophobicContact CG2-CD2 3.66Å; I627-L629 PolarHBondContact O-N 3.05Å; L629-K756 PolarHBondContact O-N 3.1Å; L629-I790 HydrophobicContact CD1-CD1 4.05Å; L629-I802 HydrophobicContact CD1-CG2 4.42Å; L629-V804 HydrophobicContact CD1-CG1 4.47Å; L629-V804 HydrophobicContact CD1-CG2 3.55Å; L629-V804 HydrophobicContact CD2-CG1 3.8Å; L629-V804 HydrophobicContact CD2-CG2 4.12Å
630	C	90.1	Very high	72.5	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	141.5	-171.7	-178	0	0	0	0	110.3	I602 W632 L754 L755 Q800 I802	I602-C630 HydrophobicContact CB-CB 4.4Å; I602-C630 HydrophobicContact CD1-CB 3.75Å; I602-C630 PolarHBondContact N-O 2.83Å; I602-C630 PolarHBondContact O-N 2.93Å; C630-W632 PolarHBondContact SG-NE1 2.84Å; C630-L754 CarbonylContact C-O 3.53Å; C630-L754 VanDerWaalsContact CA-O 3.25Å; C630-L754 WeakPolarHBondContact CA-O 3.37Å; C630-L755 HydrophobicContact CB-CD2 3.98Å; C630-Q800 PolarHBondContact SG-OE1 2.67Å; C630-Q800 VanDerWaalsContact SG-OE1 3.36Å; C630-I802 HydrophobicContact CB-CD1 3.85Å
631	Q	88.5	Confident	72	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	117.1	170.7	174.7	67.3	71.8	0	0	108.2	R599 G600 R601 L754 V759 F767	R599-Q631 PolarHBondContact O-NE2 3.15Å; G600-Q631 WeakPolarHBondContact O-CA 3.41Å; R601-Q631 VanDerWaalsContact CB-OE1 3.3Å; R601-Q631 VanDerWaalsContact CG-OE1 3.26Å; Q631-L754 HydrophobicContact CB-CB 4.38Å; Q631-L754 PolarHBondContact N-O 3.48Å; Q631-L754 WeakPolarHBondContact O-CB 3.4Å; Q631-L754 PolarHBondContact O-N 3.12Å; Q631-V759 HydrophobicContact CB-CG1 3.71Å; Q631-F767 HydrophobicContact CG-CE1 4.1Å; Q631-F767 HydrophobicContact CG-CZ 3.72Å
632	W	88	Confident	71.1	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.008	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	134	172.1	-61.5	52.4	0	0	0	108.4	L221 G600 C630 I751 R752 I753 L773 I796 F798	L221-W632 HydrophobicContact CD2-CH2 3.87Å; L221-W632 HydrophobicContact CD2-CZ2 4.05Å; G600-W632 PolarHBondContact O-N 2.98Å; C630-W632 PolarHBondContact SG-NE1 2.84Å; W632-I751 HydrophobicContact CE3-CG2 3.53Å; W632-I751 HydrophobicContact CZ3-CG2 3.92Å; W632-R752 WeakPolarHBondContact CA-O 3.28Å; W632-I753 HydrophobicContact CD2-CD1 4.42Å; W632-I753 HydrophobicContact CD2-CG1 4.16Å; W632-I753 HydrophobicContact CE3-CD1 4.15Å; W632-I753 HydrophobicContact CE3-CG1 4.07Å; W632-I753 HydrophobicContact CH2-CD1 3.63Å; W632-I753 HydrophobicContact CH2-CG1 4.39Å; W632-I753 HydrophobicContact CZ2-CD1 3.98Å; W632-I753 HydrophobicContact CZ3-CD1 3.71Å; W632-I753 HydrophobicContact CZ3-CG1 4.14Å; W632-L773 HydrophobicContact CB-CB 4.25Å; W632-L773 HydrophobicContact CB-CD1 3.98Å; W632-L773 WeakPolarHBondContact O-CD1 3.28Å; W632-I796 HydrophobicContact CE3-CD1 3.88Å; W632-I796 HydrophobicContact CZ3-CD1 3.58Å; W632-F798 HydrophobicContact CH2-CB 3.66Å; W632-F798 AromaticContact CH2-CD2 3.56Å; W632-F798 HydrophobicContact CH2-CD2 3.56Å; W632-F798 HydrophobicContact CH2-CE2 4.39Å; W632-F798 AromaticContact CH2-CG 3.83Å; W632-F798 HydrophobicContact CH2-CG 3.83Å; W632-F798 HydrophobicContact CZ2-CB 4.49Å; W632-F798 HydrophobicContact CZ3-CB 4.41Å; W632-F798 AromaticContact CZ3-CD2 3.49Å; W632-F798 HydrophobicContact CZ3-CD2 3.49Å; W632-F798 VanDerWaalsContact CZ3-CD2 3.49Å; W632-F798 HydrophobicContact CZ3-CE2 4.04Å; W632-F798 HydrophobicContact CZ3-CG 4.25Å
633	S	84.5	Confident	69.9	Low	20 Å²	20	65.4 Å²	65.4	14%	0.14	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	167.5	168.3	63	0	0	0	0	110.4	I751 R752 L773	S633-I751 WeakPolarHBondContact O-CA 3.27Å; S633-R752 PolarHBondContact N-O 3.36Å; S633-R752 PolarHBondContact O-N 3.49Å; S633-L773 VanDerWaalsContact C-CD1 3.47Å
634	M	82.7	Confident	68.6	Low	27 Å²	27	70.1 Å²	70.1	13%	0.133	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	124.4	-177.3	179.4	-176.8	74.6	0	0	108.1	M740 L745 Y749 Q750 N769 T770 L773	M634-M740 HydrophobicContact CE-CE 3.72Å; M634-M740 HydrophobicContact CE-SD 4.17Å; M634-M740 HydrophobicContact SD-CE 3.65Å; M634-L745 HydrophobicContact CG-CD1 4.2Å; M634-L745 HydrophobicContact SD-CD1 3.77Å; M634-Y749 HydrophobicContact CE-CD1 4.02Å; M634-Y749 HydrophobicContact CE-CE1 3.99Å; M634-Y749 HydrophobicContact CE-CG 4.48Å; M634-Y749 HydrophobicContact CG-CD1 3.65Å; M634-Y749 HydrophobicContact CG-CE1 4.49Å; M634-Y749 HydrophobicContact CG-CG 3.9Å; M634-Y749 HydrophobicContact SD-CD1 4.03Å; M634-Y749 HydrophobicContact SD-CG 4.02Å; M634-Q750 WeakPolarHBondContact CA-O 3.35Å; M634-N769 WeakPolarHBondContact CE-O 3.16Å; M634-T770 HydrophobicContact CB-CG2 4.36Å; M634-L773 HydrophobicContact CB-CD1 4.05Å
635	E	82.1	Confident	67	Low	66 Å²	66	67.9 Å²	67.9	31%	0.308	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	142.5	-176.2	-68.7	168.1	-179.1	0	0	109	Y749 Q750 R752	E635-Y749 CarbonylContact O-C 3.37Å; E635-Y749 VanDerWaalsContact O-CA 3.25Å; E635-Y749 WeakPolarHBondContact O-CA 3.29Å; E635-Y749 WeakPolarHBondContact O-CB 3.42Å; E635-Y749 WeakPolarHBondContact O-CD1 3.32Å; E635-Q750 HydrophobicContact CB-CG 3.87Å; E635-Q750 PolarHBondContact N-O 3.35Å; E635-Q750 PolarHBondContact O-N 3.01Å; E635-Q750 PolarHBondContact OE2-NE2 2.98Å; E635-R752 WeakPolarHBondContact OE1-CD 3.31Å; E635-R752 IonicContact OE1-NE 3.96Å
636	K	81.4	Confident	65.2	Low	155 Å²	155	73 Å²	73	67%	0.674	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.4	135.1	173.3	-167.9	-179.7	178.8	-175.7	0	108.3	Y749	K636-Y749 HydrophobicContact CB-CD1 4.22Å; K636-Y749 HydrophobicContact CB-CE1 4.04Å; K636-Y749 HydrophobicContact CG-CE1 4.45Å
637	R	79.6	Confident	62.8	Low	44 Å²	44	77.7 Å²	77.7	17%	0.166	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-61.2	142.2	175.6	-67.7	179.1	-167.2	165.7	8.5	109.9	I199 S639 W746 S747 N748 Y749 Q750	I199-R637 VanDerWaalsContact CD1-CZ 3.46Å; R637-S639 PolarHBondContact O-N 3.08Å; R637-W746 VanDerWaalsContact CZ-O 3.22Å; R637-W746 PolarHBondContact NH1-O 3.03Å; R637-W746 PolarHBondContact NH2-O 2.91Å; R637-S747 PolarHBondContact NH1-O 3.43Å; R637-N748 PolarHBondContact N-O 2.89Å; R637-Y749 VanDerWaalsContact CZ-O 3.24Å; R637-Y749 PolarHBondContact NE-O 3.03Å; R637-Y749 PolarHBondContact NH2-O 3.17Å; R637-Q750 HydrophobicContact CG-CB 4.35Å
638	P	72.6	Confident	60.3	Low	105 Å²	105	82.1 Å²	82.1	68%	0.682	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-60	135	167.1	26.9	-33	0	0	0	109
639	S	58.6	Low	57.6	Low	64 Å²	64	90.8 Å²	90.8	45%	0.448	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-71.7	135.2	174.5	43.9	0	0	0	0	110.1	R637 E641 F642	R637-S639 PolarHBondContact O-N 3.08Å; S639-E641 PolarHBondContact O-N 3.1Å; S639-F642 PolarHBondContact O-N 2.67Å
640	E	49.2	Very low	54.7	Low	170 Å²	170	96.2 Å²	96.2	79%	0.794	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-59	-21.3	-173	-61.7	-169	141.6	0	0	113.9	F642 A643	E640-F642 PolarHBondContact O-N 2.95Å; E640-A643 WeakPolarHBondContact O-CB 3.44Å; E640-A643 PolarHBondContact O-N 3.26Å
641	E	35.4	Very low	51.7	Low	170 Å²	170	105.8 Å²	105.8	79%	0.794	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-56.2	-20.5	173.6	-63.4	-175.2	141.9	0	0	114.1	S639	S639-E641 PolarHBondContact O-N 3.1Å
642	F	33.2	Very low	48.8	Very low	155 Å²	155	113.6 Å²	113.6	68%	0.68	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-86.6	-9.8	174.4	-74.8	-79.4	0	0	0	114.7	S639 E640 H644	S639-F642 PolarHBondContact O-N 2.67Å; E640-F642 PolarHBondContact O-N 2.95Å; F642-H644 PolarHBondContact O-N 3.25Å
643	A	32.9	Very low	45.9	Very low	82 Å²	82	123.4 Å²	123.4	68%	0.678	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-74.9	-7.6	178.6	0	0	0	0	0	113.8	E640	E640-A643 WeakPolarHBondContact O-CB 3.44Å; E640-A643 PolarHBondContact O-N 3.26Å
644	H	28.8	Very low	43.1	Very low	184 Å²	184	128.4 Å²	128.4	85%	0.852	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-123	16.9	-176.8	-82.6	12.1	0	0	0	114.6	F642	F642-H644 PolarHBondContact O-N 3.25Å
645	C	24.4	Very low	40.4	Very low	91 Å²	91	136.2 Å²	136.2	62%	0.615	70%	0.704	S	S	*	*	S	Bend	trans	-131.9	131.2	168.6	-90.8	0	0	0	0	113.2
646	N	26.7	Very low	37.8	Very low	140 Å²	140	139.9 Å²	139.9	75%	0.749	72%	0.721	S	S	*	*			trans	82.9	68.6	162.2	-55.7	-19.5	0	0	0	118.8	S648	N646-S648 PolarHBondContact O-N 2.87Å; N646-S648 VanDerWaalsContact O-N 3.12Å
647	S	25.9	Very low	35.1	Very low	132 Å²	132	138 Å²	138	92%	0.923	73%	0.727	S	S	*	*			trans	-71.3	72	137.8	49.3	0	0	0	0	111.6
648	S	28.3	Very low	32.6	Very low	96 Å²	96	140.4 Å²	140.4	67%	0.671	75%	0.747	S	S	*	*			trans	-153	142.9	160.7	56.5	0	0	0	0	113.5	N646	N646-S648 PolarHBondContact O-N 2.87Å; N646-S648 VanDerWaalsContact O-N 3.12Å
649	K	27.5	Very low	30.5	Very low	201 Å²	201	140.3 Å²	140.3	87%	0.874	74%	0.74	S	S	*	*			trans	-69.1	140.7	-177.1	-55.8	163.1	178.3	175.6	0	110.9
650	T	28	Very low	29.2	Very low	117 Å²	117	143.7 Å²	143.7	72%	0.718	75%	0.753	S	S	*	*				-156.3	127.8	124.3	-60.2	0	0	0	0	108.7	E652	T650-E652 HydrophobicContact CG2-CG 3.94Å; T650-E652 PolarHBondContact O-N 3.11Å
651	E	26.8	Very low	28.4	Very low	200 Å²	200	140.5 Å²	140.5	94%	0.935	75%	0.745	S	S	*	*			trans	-81	101.9	163.3	-69.6	178.4	138.9	0	0	108.7
652	E	28.4	Very low	28.1	Very low	164 Å²	164	137.7 Å²	137.7	77%	0.766	74%	0.74	S	S	*	*			trans	-110.5	127.5	162.3	-84	-169.9	153.6	0	0	110.2	T650 L654	T650-E652 HydrophobicContact CG2-CG 3.94Å; T650-E652 PolarHBondContact O-N 3.11Å; E652-L654 PolarHBondContact O-N 2.99Å
653	K	26.3	Very low	27.8	Very low	208 Å²	208	133 Å²	133	90%	0.904	73%	0.725	S	S	*	*			trans	-70.7	94.3	171.2	-79.6	-175.3	170.8	-172.6	0	109.2	E655	K653-E655 PolarHBondContact O-N 3.19Å; K653-E655 VanDerWaalsContact O-N 3.15Å
654	L	27.1	Very low	27.5	Very low	126 Å²	126	136 Å²	136	66%	0.66	73%	0.73	S	S	*	*			trans	-81.2	87.8	169.3	-149.3	73.9	0	0	0	109.5	E652 E656	E652-L654 PolarHBondContact O-N 2.99Å; L654-E656 HydrophobicContact CD2-CB 4.08Å; L654-E656 VanDerWaalsContact CD2-CD 3.48Å; L654-E656 HydrophobicContact CD2-CG 3.88Å; L654-E656 HydrophobicContact CG-CB 4.03Å; L654-E656 HydrophobicContact CG-CG 3.92Å; L654-E656 PolarHBondContact O-N 3.39Å
655	E	25	Very low	27.4	Very low	191 Å²	191	132.1 Å²	132.1	89%	0.893	71%	0.709	S	S	*	*			trans	-71.8	67.3	157.1	-76.3	-172.2	164.3	0	0	108.8	K653 S657	K653-E655 PolarHBondContact O-N 3.19Å; K653-E655 VanDerWaalsContact O-N 3.15Å; E655-S657 PolarHBondContact O-N 2.95Å; E655-S657 VanDerWaalsContact O-N 3.16Å
656	E	27	Very low	27.6	Very low	142 Å²	142	132.9 Å²	132.9	66%	0.664	71%	0.707	S	S	*	*			trans	-76.9	101.2	170.8	-113.5	-179.7	-169.2	0	0	109.2	L654 V658	L654-E656 HydrophobicContact CD2-CB 4.08Å; L654-E656 VanDerWaalsContact CD2-CD 3.48Å; L654-E656 HydrophobicContact CD2-CG 3.88Å; L654-E656 HydrophobicContact CG-CB 4.03Å; L654-E656 HydrophobicContact CG-CG 3.92Å; L654-E656 PolarHBondContact O-N 3.39Å; E656-V658 VanDerWaalsContact C-N 3.26Å; E656-V658 PolarHBondContact O-N 3.32Å
657	S	26.1	Very low	27.9	Very low	115 Å²	115	129.1 Å²	129.1	80%	0.804	69%	0.686	S	S	*	*			trans	-66.5	89.3	163.5	58.4	0	0	0	0	108.7	E655 D659	E655-S657 PolarHBondContact O-N 2.95Å; E655-S657 VanDerWaalsContact O-N 3.16Å; S657-D659 PolarHBondContact O-N 3.39Å
658	V	27.3	Very low	28.2	Very low	95 Å²	95	125.3 Å²	125.3	58%	0.576	66%	0.655	S	S	*	*			trans	-57	108.2	175.1	178.8	0	0	0	0	108.8	E656 L660	E656-V658 VanDerWaalsContact C-N 3.26Å; E656-V658 PolarHBondContact O-N 3.32Å; V658-L660 PolarHBondContact O-N 2.94Å
659	D	27.4	Very low	28.5	Very low	103 Å²	103	125 Å²	125	55%	0.551	65%	0.646	S	S	*	*			trans	-73.4	99.7	173.3	-166.2	-18	0	0	0	107.5	S657 T661 T662	S657-D659 PolarHBondContact O-N 3.39Å; D659-T661 VanDerWaalsContact CG-OG1 3.23Å; D659-T661 PolarHBondContact O-N 3.14Å; D659-T661 PolarHBondContact OD1-N 3.26Å; D659-T661 PolarHBondContact OD1-OG1 2.96Å; D659-T662 PolarHBondContact O-N 2.96Å; D659-T662 VanDerWaalsContact O-N 3.12Å; D659-T662 PolarHBondContact O-OG1 2.66Å; D659-T662 VanDerWaalsContact O-OG1 3.11Å
660	L	31	Very low	28.9	Very low	135 Å²	135	118.6 Å²	118.6	71%	0.707	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.7	5.6	-178	-75.9	160.5	0	0	0	114.5	V658	V658-L660 PolarHBondContact O-N 2.94Å
661	T	32.4	Very low	29.1	Very low	104 Å²	104	117.1 Å²	117.1	64%	0.638	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	-11	175.8	60.8	0	0	0	0	114.5	D659	D659-T661 VanDerWaalsContact CG-OG1 3.23Å; D659-T661 PolarHBondContact O-N 3.14Å; D659-T661 PolarHBondContact OD1-N 3.26Å; D659-T661 PolarHBondContact OD1-OG1 2.96Å
662	T	30.5	Very low	29.5	Very low	111 Å²	111	110 Å²	110	68%	0.681	58%	0.583	S	S	*	*	S	Bend	trans	-101.4	-10.1	177.8	51.7	0	0	0	0	114.7	D659 D664	D659-T662 PolarHBondContact O-N 2.96Å; D659-T662 VanDerWaalsContact O-N 3.12Å; D659-T662 PolarHBondContact O-OG1 2.66Å; D659-T662 VanDerWaalsContact O-OG1 3.11Å; T662-D664 PolarHBondContact O-N 3.21Å; T662-D664 VanDerWaalsContact O-N 3.11Å
663	C	26.9	Very low	29.8	Very low	56 Å²	56	106.3 Å²	106.3	38%	0.378	57%	0.565	S	S	.	*			trans	-78	88.1	163.3	-62.6	0	0	0	0	109	Y665	C663-Y665 HydrophobicContact CB-CD2 3.69Å; C663-Y665 HydrophobicContact CB-CE2 3.4Å; C663-Y665 VanDerWaalsContact CB-CE2 3.4Å; C663-Y665 VanDerWaalsContact O-CD2 3.26Å; C663-Y665 WeakPolarHBondContact O-CD2 3.3Å; C663-Y665 PolarHBondContact O-N 2.82Å
664	D	25	Very low	30.2	Very low	145 Å²	145	100.9 Å²	100.9	78%	0.775	54%	0.544	S	S	*	.			trans	-65.8	82.9	161.2	-84.7	-36.2	0	0	0	108.4	T662 D666	T662-D664 PolarHBondContact O-N 3.21Å; T662-D664 VanDerWaalsContact O-N 3.11Å; D664-D666 PolarHBondContact O-N 3.17Å
665	Y	27.9	Very low	30.6	Very low	103 Å²	103	98.9 Å²	98.9	40%	0.404	53%	0.534	S	S	.	.			trans	-66.7	86.3	163.6	-68.2	-93.5	0	0	0	107.2	C663 I667 D766	C663-Y665 HydrophobicContact CB-CD2 3.69Å; C663-Y665 HydrophobicContact CB-CE2 3.4Å; C663-Y665 VanDerWaalsContact CB-CE2 3.4Å; C663-Y665 VanDerWaalsContact O-CD2 3.26Å; C663-Y665 WeakPolarHBondContact O-CD2 3.3Å; C663-Y665 PolarHBondContact O-N 2.82Å; Y665-I667 VanDerWaalsContact C-N 3.35Å; Y665-I667 WeakPolarHBondContact O-CG1 3.38Å; Y665-I667 PolarHBondContact O-N 2.8Å; Y665-D766 PolarHBondContact OH-OD1 3.26Å
666	D	28.4	Very low	31.3	Very low	106 Å²	106	92.5 Å²	92.5	57%	0.567	50%	0.504	S	S	*	.			trans	-62.6	96.6	171.4	-98	-15.7	0	0	0	109.1	D664 I668 Q738	D664-D666 PolarHBondContact O-N 3.17Å; D666-I668 PolarHBondContact O-N 2.93Å; D666-Q738 HydrophobicContact CB-CG 4.49Å; D666-Q738 PolarHBondContact OD2-NE2 2.86Å
667	I	33.1	Very low	31.8	Very low	62 Å²	62	88.8 Å²	88.8	32%	0.318	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-64.7	120.5	-173.4	-72.8	165.2	0	0	0	109.6	W547 Y665 D669	W547-I667 HydrophobicContact CD2-CD1 4.15Å; W547-I667 VanDerWaalsContact CE2-CD1 3.41Å; W547-I667 HydrophobicContact CH2-CD1 4.02Å; W547-I667 HydrophobicContact CZ2-CD1 3.36Å; Y665-I667 VanDerWaalsContact C-N 3.35Å; Y665-I667 WeakPolarHBondContact O-CG1 3.38Å; Y665-I667 PolarHBondContact O-N 2.8Å; I667-D669 PolarHBondContact O-N 3.11Å
668	I	31.8	Very low	32.3	Very low	52 Å²	52	88.7 Å²	88.7	27%	0.267	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-46.4	123.1	167	-65	175.7	0	0	0	108.8	D666 I670 A672 Q738	D666-I668 PolarHBondContact O-N 2.93Å; I668-I670 PolarHBondContact O-N 3.42Å; I668-A672 HydrophobicContact CG2-CB 4.31Å; I668-Q738 WeakPolarHBondContact CG1-O 3.22Å
669	D	35.1	Very low	32.5	Very low	90 Å²	90	89.2 Å²	89.2	48%	0.481	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-46.2	126.5	-171.5	-171	-5.1	0	0	0	112	I667 N671 A672	I667-D669 PolarHBondContact O-N 3.11Å; D669-N671 VanDerWaalsContact CG-ND2 3.27Å; D669-N671 PolarHBondContact O-N 2.88Å; D669-N671 VanDerWaalsContact O-N 3.12Å; D669-N671 WeakPolarHBondContact OD1-CB 3.2Å; D669-N671 VanDerWaalsContact OD1-CG 3.25Å; D669-N671 PolarHBondContact OD1-N 3.45Å; D669-N671 PolarHBondContact OD1-ND2 3.19Å; D669-N671 WeakPolarHBondContact OD2-CB 3.49Å; D669-N671 PolarHBondContact OD2-ND2 2.94Å; D669-A672 WeakPolarHBondContact O-CA 3.38Å; D669-A672 WeakPolarHBondContact O-CB 3.38Å; D669-A672 PolarHBondContact O-N 2.84Å
670	I	34.9	Very low	32.5	Very low	65 Å²	65	90.7 Å²	90.7	33%	0.333	48%	0.476	S	S	.	.	H	α-helix	trans	-59.5	-23.6	173.9	-68.9	173.7	0	0	0	110.4	F534 W547 I668 A672 F673 I674	F534-I670 HydrophobicContact CD2-CD1 4.26Å; F534-I670 HydrophobicContact CE2-CD1 4.18Å; F534-I670 HydrophobicContact CZ-CD1 4.43Å; W547-I670 HydrophobicContact CH2-CD1 4.47Å; I668-I670 PolarHBondContact O-N 3.42Å; I670-A672 PolarHBondContact O-N 3.04Å; I670-F673 PolarHBondContact O-N 2.77Å; I670-I674 HydrophobicContact CG2-CD1 3.95Å; I670-I674 HydrophobicContact CG2-CG1 4.37Å; I670-I674 WeakPolarHBondContact O-CG1 3.34Å; I670-I674 PolarHBondContact O-N 3.48Å
671	N	32.6	Very low	32.3	Very low	87 Å²	87	93.1 Å²	93.1	47%	0.465	48%	0.482	S	S	.	.	H	α-helix	trans	-63.1	-26.8	169.1	-56.3	-49.6	0	0	0	112.8	D669 I674 N675	D669-N671 VanDerWaalsContact CG-ND2 3.27Å; D669-N671 PolarHBondContact O-N 2.88Å; D669-N671 VanDerWaalsContact O-N 3.12Å; D669-N671 WeakPolarHBondContact OD1-CB 3.2Å; D669-N671 VanDerWaalsContact OD1-CG 3.25Å; D669-N671 PolarHBondContact OD1-N 3.45Å; D669-N671 PolarHBondContact OD1-ND2 3.19Å; D669-N671 WeakPolarHBondContact OD2-CB 3.49Å; D669-N671 PolarHBondContact OD2-ND2 2.94Å; N671-I674 PolarHBondContact O-N 2.86Å; N671-N675 WeakPolarHBondContact O-CB 3.46Å; N671-N675 PolarHBondContact O-N 3.07Å; N671-N675 PolarHBondContact O-ND2 2.96Å
672	A	34.3	Very low	32.1	Very low	49 Å²	49	93.4 Å²	93.4	41%	0.405	48%	0.483	S	S	.	.	H	α-helix	trans	-67	-43	173.3	0	0	0	0	0	111.2	I668 D669 I670 N675 E676	I668-A672 HydrophobicContact CG2-CB 4.31Å; D669-A672 WeakPolarHBondContact O-CA 3.38Å; D669-A672 WeakPolarHBondContact O-CB 3.38Å; D669-A672 PolarHBondContact O-N 2.84Å; I670-A672 PolarHBondContact O-N 3.04Å; A672-N675 PolarHBondContact O-N 2.83Å; A672-E676 PolarHBondContact O-N 2.93Å
673	F	34.9	Very low	31.9	Very low	88 Å²	88	96.6 Å²	96.6	39%	0.386	50%	0.495	S	S	.	.	H	α-helix	trans	-65.1	-39.7	172.7	-178.9	-101.9	0	0	0	111.8	I670 N675 E676 Y677	I670-F673 PolarHBondContact O-N 2.77Å; F673-N675 VanDerWaalsContact C-N 3.34Å; F673-E676 PolarHBondContact O-N 2.78Å; F673-Y677 HydrophobicContact CD2-CE2 4.38Å; F673-Y677 HydrophobicContact CE2-CD2 4.45Å; F673-Y677 AromaticContact CE2-CE2 3.93Å; F673-Y677 HydrophobicContact CE2-CE2 3.93Å; F673-Y677 HydrophobicContact CZ-CD2 4.48Å; F673-Y677 HydrophobicContact CZ-CE2 4.19Å; F673-Y677 WeakPolarHBondContact O-CD2 3.49Å
674	I	34.9	Very low	31.9	Very low	94 Å²	94	99.6 Å²	99.6	48%	0.482	51%	0.511	S	S	.	.	H	α-helix	trans	-68.2	-34.2	174.4	-66	169.4	0	0	0	111.3	I670 N671 Y677 K678	I670-I674 HydrophobicContact CG2-CD1 3.95Å; I670-I674 HydrophobicContact CG2-CG1 4.37Å; I670-I674 WeakPolarHBondContact O-CG1 3.34Å; I670-I674 PolarHBondContact O-N 3.48Å; N671-I674 PolarHBondContact O-N 2.86Å; I674-Y677 CarbonylContact O-C 3.44Å; I674-Y677 PolarHBondContact O-N 2.8Å; I674-K678 PolarHBondContact O-N 2.82Å
675	N	36.5	Very low	32	Very low	84 Å²	84	100.6 Å²	100.6	45%	0.449	52%	0.517	S	S	.	.	H	α-helix	trans	-72.2	-29.2	175.6	-82	-44.8	0	0	0	113.1	N671 A672 F673 Y677 K678	N671-N675 WeakPolarHBondContact O-CB 3.46Å; N671-N675 PolarHBondContact O-N 3.07Å; N671-N675 PolarHBondContact O-ND2 2.96Å; A672-N675 PolarHBondContact O-N 2.83Å; F673-N675 VanDerWaalsContact C-N 3.34Å; N675-Y677 PolarHBondContact O-N 3.38Å; N675-K678 WeakPolarHBondContact O-CG 3.39Å; N675-K678 VanDerWaalsContact OD1-CE 3.31Å; N675-K678 WeakPolarHBondContact OD1-CE 3.33Å
676	E	39	Very low	32	Very low	56 Å²	56	101.1 Å²	101.1	26%	0.262	54%	0.535	S	S	.	.	H	α-helix	trans	-62.1	-24.9	169.9	-163.2	-174.9	165	0	0	111.3	A672 F673 K774	A672-E676 PolarHBondContact O-N 2.93Å; F673-E676 PolarHBondContact O-N 2.78Å; E676-K774 IonicContact OE1-NZ 2.73Å; E676-K774 PolarHBondContact OE1-NZ 3.13Å
677	Y	38.5	Very low	32	Very low	65 Å²	65	101.2 Å²	101.2	26%	0.255	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-115.6	5.3	-176	-71.6	-73.7	0	0	0	115.7	F673 I674 N675 I679	F673-Y677 HydrophobicContact CD2-CE2 4.38Å; F673-Y677 HydrophobicContact CE2-CD2 4.45Å; F673-Y677 AromaticContact CE2-CE2 3.93Å; F673-Y677 HydrophobicContact CE2-CE2 3.93Å; F673-Y677 HydrophobicContact CZ-CD2 4.48Å; F673-Y677 HydrophobicContact CZ-CE2 4.19Å; F673-Y677 WeakPolarHBondContact O-CD2 3.49Å; I674-Y677 CarbonylContact O-C 3.44Å; I674-Y677 PolarHBondContact O-N 2.8Å; N675-Y677 PolarHBondContact O-N 3.38Å; Y677-I679 VanDerWaalsContact O-CG1 3.31Å; Y677-I679 WeakPolarHBondContact O-CG1 3.46Å; Y677-I679 PolarHBondContact O-N 2.99Å
678	K	35.3	Very low	31.6	Very low	113 Å²	113	103.6 Å²	103.6	49%	0.491	57%	0.573	S	S	.	*			trans	-6.3	85.4	-174.6	-84.9	-179.5	-176.8	-177.2	0	115	I674 N675 D680	I674-K678 PolarHBondContact O-N 2.82Å; N675-K678 WeakPolarHBondContact O-CG 3.39Å; N675-K678 VanDerWaalsContact OD1-CE 3.31Å; N675-K678 WeakPolarHBondContact OD1-CE 3.33Å; K678-D680 VanDerWaalsContact C-N 3.35Å; K678-D680 PolarHBondContact O-N 3.22Å; K678-D680 VanDerWaalsContact O-N 3.07Å
679	I	31.3	Very low	31.5	Very low	105 Å²	105	106.3 Å²	106.3	54%	0.538	60%	0.597	S	S	.	*			trans	-84.1	82.7	178.9	-51.1	179.8	0	0	0	108.2	Y677 F681	Y677-I679 VanDerWaalsContact O-CG1 3.31Å; Y677-I679 WeakPolarHBondContact O-CG1 3.46Å; Y677-I679 PolarHBondContact O-N 2.99Å; I679-F681 VanDerWaalsContact C-N 3.3Å; I679-F681 HydrophobicContact CG2-CD2 3.69Å; I679-F681 HydrophobicContact CG2-CE2 3.59Å; I679-F681 PolarHBondContact O-N 3.11Å
680	D	28.5	Very low	31	Very low	135 Å²	135	108.3 Å²	108.3	72%	0.722	61%	0.613	S	S	*	*			trans	-69.3	85.1	175	-78.3	-25.1	0	0	0	111	K678 V682	K678-D680 VanDerWaalsContact C-N 3.35Å; K678-D680 PolarHBondContact O-N 3.22Å; K678-D680 VanDerWaalsContact O-N 3.07Å; D680-V682 VanDerWaalsContact C-N 3.32Å; D680-V682 PolarHBondContact O-N 3.38Å; D680-V682 VanDerWaalsContact O-N 3.11Å
681	F	26.2	Very low	30.7	Very low	186 Å²	186	111.1 Å²	111.1	82%	0.816	63%	0.633	S	S	*	*			trans	-73.7	87.9	156.8	-81.2	-80.5	0	0	0	109.2	I679	I679-F681 VanDerWaalsContact C-N 3.3Å; I679-F681 HydrophobicContact CG2-CD2 3.69Å; I679-F681 HydrophobicContact CG2-CE2 3.59Å; I679-F681 PolarHBondContact O-N 3.11Å
682	V	27.7	Very low	30.4	Very low	110 Å²	110	112.9 Å²	112.9	67%	0.667	65%	0.647	S	S	*	*			trans	170.1	129.3	137.4	151.3	0	0	0	0	110.1	D680 T684	D680-V682 VanDerWaalsContact C-N 3.32Å; D680-V682 PolarHBondContact O-N 3.38Å; D680-V682 VanDerWaalsContact O-N 3.11Å; V682-T684 HydrophobicContact CG1-CG2 3.73Å; V682-T684 VanDerWaalsContact CG1-OG1 3.25Å; V682-T684 WeakPolarHBondContact CG1-OG1 3.35Å
683	L	27.2	Very low	30	Very low	178 Å²	178	115.9 Å²	115.9	93%	0.932	66%	0.661	S	S	*	*			trans	-91	99.2	166.6	-143.4	111.9	0	0	0	108.3
684	T	26.8	Very low	29.7	Very low	118 Å²	118	117.5 Å²	117.5	72%	0.724	68%	0.678	S	S	*	*			trans	-137.5	130.3	168	43.4	0	0	0	0	112.1	V682 S686	V682-T684 HydrophobicContact CG1-CG2 3.73Å; V682-T684 VanDerWaalsContact CG1-OG1 3.25Å; V682-T684 WeakPolarHBondContact CG1-OG1 3.35Å; T684-S686 PolarHBondContact O-N 2.96Å
685	N	27.3	Very low	29.3	Very low	166 Å²	166	119.7 Å²	119.7	89%	0.888	69%	0.69	S	S	*	*			trans	-68.4	124.3	179.2	-64.1	-37.7	0	0	0	112.4
686	S	28.6	Very low	29.1	Very low	114 Å²	114	122.4 Å²	122.4	80%	0.797	71%	0.71	S	S	*	*			trans	-160.4	116.3	145.9	54.4	0	0	0	0	110	T684	T684-S686 PolarHBondContact O-N 2.96Å
687	A	26.9	Very low	28.5	Very low	109 Å²	109	125.2 Å²	125.2	90%	0.901	73%	0.731	S	S	*	*			trans	-89	118.5	179.6	0	0	0	0	0	111.2
688	S	25.5	Very low	27.9	Very low	111 Å²	111	128 Å²	128	78%	0.776	76%	0.756	S	S	*	*			trans	-169.4	80.9	157.9	57.3	0	0	0	0	110.9
689	S	28.6	Very low	27.7	Very low	110 Å²	110	129.4 Å²	129.4	77%	0.769	77%	0.773	S	S	*	*			trans	-99.2	102.7	169	60.3	0	0	0	0	109.9	T691	S689-T691 PolarHBondContact O-N 2.79Å
690	T	25.4	Very low	27.5	Very low	132 Å²	132	129.7 Å²	129.7	81%	0.81	79%	0.785	S	S	*	*			trans	-69.8	108.2	172.3	-39.3	0	0	0	0	108.9	T692	T690-T692 PolarHBondContact O-N 2.89Å; T690-T692 VanDerWaalsContact O-N 3.15Å
691	T	27.9	Very low	27.6	Very low	124 Å²	124	129.4 Å²	129.4	76%	0.761	79%	0.788	S	S	*	*			trans	-76.1	98.1	176.7	17.1	0	0	0	0	110.8	S689 T693	S689-T691 PolarHBondContact O-N 2.79Å; T691-T693 PolarHBondContact O-N 3.15Å; T691-T693 VanDerWaalsContact O-N 3.11Å
692	T	26.4	Very low	27.8	Very low	124 Å²	124	124.6 Å²	124.6	76%	0.761	78%	0.783	S	S	*	*			trans	-77.6	88.8	167.1	-18.7	0	0	0	0	109.4	T690 T694	T690-T692 PolarHBondContact O-N 2.89Å; T690-T692 VanDerWaalsContact O-N 3.15Å; T692-T694 PolarHBondContact O-N 3.04Å; T692-T694 VanDerWaalsContact O-N 3.11Å
693	T	25.8	Very low	28	Very low	112 Å²	112	125.1 Å²	125.1	69%	0.687	78%	0.78	S	S	*	*			trans	-72.7	96.2	169.7	42	0	0	0	0	110.3	T691 N695	T691-T693 PolarHBondContact O-N 3.15Å; T691-T693 VanDerWaalsContact O-N 3.11Å; T693-N695 PolarHBondContact O-N 2.95Å
694	T	29.2	Very low	28.1	Very low	121 Å²	121	122.5 Å²	122.5	74%	0.742	77%	0.772	S	S	*	*			trans	-77.4	98.9	165.2	45.9	0	0	0	0	109.7	T692 T696	T692-T694 PolarHBondContact O-N 3.04Å; T692-T694 VanDerWaalsContact O-N 3.11Å; T694-T696 PolarHBondContact O-N 3.35Å
695	N	25.7	Very low	28.3	Very low	140 Å²	140	122 Å²	122	75%	0.749	77%	0.773	S	S	*	*			trans	-74.1	99.7	170.9	-69.3	-22.8	0	0	0	110	T693 T697	T693-N695 PolarHBondContact O-N 2.95Å; N695-T697 PolarHBondContact O-N 2.82Å
696	T	32.5	Very low	28.5	Very low	142 Å²	142	116.8 Å²	116.8	87%	0.871	75%	0.754	S	S	*	*			trans	-89.4	87.3	164.3	16.8	0	0	0	0	110.3	T694	T694-T696 PolarHBondContact O-N 3.35Å
697	T	26.3	Very low	28.8	Very low	114 Å²	114	116.9 Å²	116.9	70%	0.699	74%	0.744	S	S	*	*			trans	-79.2	167.6	163.1	-37.7	0	0	0	0	109.6	N695	N695-T697 PolarHBondContact O-N 2.82Å
698	T	27.2	Very low	29.1	Very low	125 Å²	125	121.6 Å²	121.6	77%	0.767	75%	0.745	S	S	*	*			trans	65.8	92.2	170	48.6	0	0	0	0	118.7
699	T	30	Very low	29.4	Very low	141 Å²	141	119.9 Å²	119.9	87%	0.865	73%	0.732	S	S	*	*				-172	72.2	120	29.9	0	0	0	0	110
700	S	27.9	Very low	29.8	Very low	111 Å²	111	124.1 Å²	124.1	78%	0.776	74%	0.74	S	S	*	*			trans	-112.8	26.7	-171.7	66.6	0	0	0	0	114.7
701	T	30.6	Very low	30.2	Very low	129 Å²	129	123.2 Å²	123.2	79%	0.791	73%	0.728	S	S	*	*	S	Bend	trans	-133.8	1.2	-169.3	30.7	0	0	0	0	116.3
702	A	30.2	Very low	30.7	Very low	85 Å²	85	123.3 Å²	123.3	70%	0.702	72%	0.724	S	S	*	*	S	Bend	trans	-108.8	-13.3	-178.1	0	0	0	0	0	115.6
703	I	32.3	Very low	31.6	Very low	121 Å²	121	119.7 Å²	119.7	62%	0.621	70%	0.702	S	S	*	*	S	Bend	trans	-96.4	-9.3	-169.8	-60.8	173.7	0	0	0	112.6	S705 L707	I703-S705 VanDerWaalsContact C-N 3.28Å; I703-S705 PolarHBondContact O-N 2.68Å; I703-L707 HydrophobicContact CG2-CD1 4.49Å
704	T	30.2	Very low	32.5	Very low	124 Å²	124	117.9 Å²	117.9	76%	0.761	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-8.1	-170.8	-28.6	0	0	0	0	114.6
705	S	30	Very low	33.1	Very low	107 Å²	107	121 Å²	121	75%	0.748	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-20.1	-176.4	44.6	0	0	0	0	115.2	I703	I703-S705 VanDerWaalsContact C-N 3.28Å; I703-S705 PolarHBondContact O-N 2.68Å
706	A	31.7	Very low	34	Very low	57 Å²	57	116.3 Å²	116.3	47%	0.471	69%	0.686	S	S	.	*	S	Bend	trans	-87.8	-10.1	-174.3	0	0	0	0	0	114.9
707	L	34.7	Very low	34.9	Very low	115 Å²	115	114.5 Å²	114.5	60%	0.602	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	28.4	-167.5	-68.8	166.7	0	0	0	114.3	I703	I703-L707 HydrophobicContact CG2-CD1 4.49Å
708	K	33.5	Very low	36.1	Very low	209 Å²	209	112.9 Å²	112.9	91%	0.909	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	-9.4	173.6	-88.9	-170.3	175.2	-176.6	0	114.6
709	S	32.1	Very low	37.4	Very low	74 Å²	74	109.4 Å²	109.4	52%	0.517	64%	0.642	S	S	.	*	S	Bend	trans	-106.9	137.5	169.6	36.5	0	0	0	0	109.2	M711	S709-M711 PolarHBondContact O-N 3.48Å
710	E	35.6	Very low	38.5	Very low	200 Å²	200	108.2 Å²	108.2	94%	0.935	63%	0.626	S	S	*	*			trans	-66.7	84.3	152.9	-67.8	177	137.3	0	0	106.6	D712	E710-D712 PolarHBondContact O-N 3.49Å
711	M	34.1	Very low	39.9	Very low	113 Å²	113	103.6 Å²	103.6	56%	0.557	59%	0.593	S	S	*	*			trans	-66.5	121.8	168.1	-82.4	-179.4	65.5	0	0	107.7	S709 V713 L716	S709-M711 PolarHBondContact O-N 3.48Å; M711-V713 PolarHBondContact O-N 2.71Å; M711-L716 HydrophobicContact CE-CD2 4.28Å
712	D	38.3	Very low	41.1	Very low	126 Å²	126	101.8 Å²	101.8	67%	0.674	58%	0.575	S	S	*	*			trans	-67.2	131.5	173.1	-154.9	-2	0	0	0	108.6	E710 G714	E710-D712 PolarHBondContact O-N 3.49Å; D712-G714 PolarHBondContact O-N 3.21Å; D712-G714 VanDerWaalsContact O-N 3.09Å
713	V	46.3	Very low	42.5	Very low	48 Å²	48	104.3 Å²	104.3	29%	0.291	57%	0.572	S	S	.	*	G	3₁₀ helix	trans	-75.3	-3.4	-167.9	-179.8	0	0	0	0	111.5	I196 M711 E715 L721	I196-V713 HydrophobicContact CD1-CG1 3.84Å; I196-V713 HydrophobicContact CD1-CG2 4.38Å; M711-V713 PolarHBondContact O-N 2.71Å; V713-E715 VanDerWaalsContact C-N 3.26Å; V713-E715 PolarHBondContact O-N 2.84Å; V713-L721 HydrophobicContact CG1-CD1 3.72Å
714	G	43.4	Very low	43.7	Very low	73 Å²	73	104 Å²	104	75%	0.753	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-68.2	-12.1	180	0	0	0	0	0	116.2	D712	D712-G714 PolarHBondContact O-N 3.21Å; D712-G714 VanDerWaalsContact O-N 3.09Å
715	E	43.5	Very low	44.9	Very low	186 Å²	186	98.6 Å²	98.6	87%	0.869	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-116.9	6.2	-176.6	-66.8	-168.7	148.6	0	0	115.1	V713	V713-E715 VanDerWaalsContact C-N 3.26Å; V713-E715 PolarHBondContact O-N 2.84Å
716	L	43.9	Very low	46.5	Very low	43 Å²	43	94.6 Å²	94.6	23%	0.225	50%	0.502	C	S	.	.			trans	-80.8	125.7	176.6	-73.3	169.9	0	0	0	111.6	M711 E720 L721	M711-L716 HydrophobicContact CE-CD2 4.28Å; L716-E720 HydrophobicContact CD2-CB 4.11Å; L716-E720 WeakPolarHBondContact CD2-OE2 3.34Å; L716-L721 HydrophobicContact CB-CB 4.4Å; L716-L721 HydrophobicContact CB-CD1 4.27Å; L716-L721 HydrophobicContact CD1-CD1 4.06Å
717	D	51.1	Low	47.4	Very low	104 Å²	104	96.3 Å²	96.3	56%	0.556	51%	0.509	S	S	*	.			trans	-49.1	138.1	162.8	175	-15.7	0	0	0	109.8	A719 E720 L721	D717-A719 PolarHBondContact O-N 2.81Å; D717-A719 VanDerWaalsContact O-N 3.09Å; D717-A719 WeakPolarHBondContact OD1-CB 3.39Å; D717-A719 PolarHBondContact OD1-N 2.81Å; D717-E720 HydrophobicContact CB-CB 4.43Å; D717-E720 HydrophobicContact CB-CG 4.3Å; D717-E720 PolarHBondContact O-N 3.17Å; D717-L721 WeakPolarHBondContact O-CB 3.33Å; D717-L721 PolarHBondContact O-N 2.95Å
718	D	51	Low	48.5	Very low	80 Å²	80	94 Å²	94	43%	0.428	50%	0.502	S	S	.	.	H	α-helix	trans	-54.9	-28.1	179	-118.1	13.6	0	0	0	112.5	Q722	D718-Q722 WeakPolarHBondContact O-CB 3.48Å; D718-Q722 VanDerWaalsContact O-CG 3.27Å; D718-Q722 WeakPolarHBondContact O-CG 3.33Å; D718-Q722 PolarHBondContact O-N 2.99Å
719	A	54.3	Low	49.6	Very low	51 Å²	51	88.6 Å²	88.6	42%	0.421	49%	0.489	S	S	.	.	H	α-helix	trans	-72.6	-42	173	0	0	0	0	0	113.2	D717 Q722 H723	D717-A719 PolarHBondContact O-N 2.81Å; D717-A719 VanDerWaalsContact O-N 3.09Å; D717-A719 WeakPolarHBondContact OD1-CB 3.39Å; D717-A719 PolarHBondContact OD1-N 2.81Å; A719-Q722 PolarHBondContact O-N 3.4Å; A719-H723 PolarHBondContact O-N 3.13Å
720	E	54.1	Low	51	Low	117 Å²	117	91.7 Å²	91.7	55%	0.547	50%	0.499	S	S	.	.	H	α-helix	trans	-69.1	-38.6	173.5	-67.5	-162.9	148.3	0	0	111	L716 D717 H723 F724	L716-E720 HydrophobicContact CD2-CB 4.11Å; L716-E720 WeakPolarHBondContact CD2-OE2 3.34Å; D717-E720 HydrophobicContact CB-CB 4.43Å; D717-E720 HydrophobicContact CB-CG 4.3Å; D717-E720 PolarHBondContact O-N 3.17Å; E720-H723 PolarHBondContact O-N 3.24Å; E720-F724 WeakPolarHBondContact O-CB 3.4Å; E720-F724 PolarHBondContact O-N 2.98Å
721	L	56.2	Low	52.6	Low	13 Å²	13	83.6 Å²	83.6	7%	0.068	47%	0.465	C	S	.	.	H	α-helix	trans	-61.6	-43.9	173.3	-165.3	77.3	0	0	0	110.8	I196 V713 L716 D717 F724 L725	I196-L721 HydrophobicContact CD1-CD1 4.39Å; V713-L721 HydrophobicContact CG1-CD1 3.72Å; L716-L721 HydrophobicContact CB-CB 4.4Å; L716-L721 HydrophobicContact CB-CD1 4.27Å; L716-L721 HydrophobicContact CD1-CD1 4.06Å; D717-L721 WeakPolarHBondContact O-CB 3.33Å; D717-L721 PolarHBondContact O-N 2.95Å; L721-F724 PolarHBondContact O-N 2.85Å; L721-L725 HydrophobicContact CD2-CD1 4.17Å; L721-L725 HydrophobicContact CG-CD1 3.84Å; L721-L725 HydrophobicContact CG-CG 4.33Å; L721-L725 VanDerWaalsContact O-CB 3.3Å; L721-L725 WeakPolarHBondContact O-CB 3.36Å; L721-L725 WeakPolarHBondContact O-CG 3.36Å; L721-L725 PolarHBondContact O-N 3.45Å
722	Q	57.7	Low	54.2	Low	92 Å²	92	86.4 Å²	86.4	43%	0.43	48%	0.476	S	S	.	.	H	α-helix	trans	-58.8	-49.3	172.9	-83.2	-178.5	34	0	0	111.8	D718 A719 F724 L725 F726	D718-Q722 WeakPolarHBondContact O-CB 3.48Å; D718-Q722 VanDerWaalsContact O-CG 3.27Å; D718-Q722 WeakPolarHBondContact O-CG 3.33Å; D718-Q722 PolarHBondContact O-N 2.99Å; A719-Q722 PolarHBondContact O-N 3.4Å; Q722-F724 VanDerWaalsContact C-N 3.27Å; Q722-F724 PolarHBondContact O-N 2.87Å; Q722-L725 PolarHBondContact O-N 3.26Å; Q722-F726 WeakPolarHBondContact O-CB 3.37Å; Q722-F726 WeakPolarHBondContact O-CD2 3.27Å; Q722-F726 PolarHBondContact O-N 3.04Å
723	H	58.6	Low	55.6	Low	138 Å²	138	85.3 Å²	85.3	64%	0.639	47%	0.467	S	S	*	.	H	α-helix	trans	-61.9	-33	177.2	-92.9	-66.3	0	0	0	113.4	A719 E720	A719-H723 PolarHBondContact O-N 3.13Å; E720-H723 PolarHBondContact O-N 3.24Å
724	F	56.9	Low	56.8	Low	113 Å²	113	85.5 Å²	85.5	50%	0.496	47%	0.47	S	S	.	.	H	α-helix	trans	-75	-38.4	176.9	-173.5	-94.6	0	0	0	113	P195 E720 L721 Q722	P195-F724 HydrophobicContact CG-CD1 4.31Å; P195-F724 HydrophobicContact CG-CE1 3.92Å; E720-F724 WeakPolarHBondContact O-CB 3.4Å; E720-F724 PolarHBondContact O-N 2.98Å; L721-F724 PolarHBondContact O-N 2.85Å; Q722-F724 VanDerWaalsContact C-N 3.27Å; Q722-F724 PolarHBondContact O-N 2.87Å
725	L	56.4	Low	57.8	Low	12 Å²	12	85.4 Å²	85.4	6%	0.063	47%	0.469	C	S	.	.	H	α-helix	trans	-74.2	-33.1	178.4	-70.7	170.4	0	0	0	112.7	P194 P195 I196 L721 Q722 P727	P194-L725 HydrophobicContact CB-CD2 4.19Å; P195-L725 HydrophobicContact CG-CD2 4.26Å; I196-L725 HydrophobicContact CB-CD2 3.8Å; I196-L725 HydrophobicContact CD1-CD2 4.14Å; I196-L725 HydrophobicContact CG1-CD2 4.01Å; L721-L725 HydrophobicContact CD2-CD1 4.17Å; L721-L725 HydrophobicContact CG-CD1 3.84Å; L721-L725 HydrophobicContact CG-CG 4.33Å; L721-L725 VanDerWaalsContact O-CB 3.3Å; L721-L725 WeakPolarHBondContact O-CB 3.36Å; L721-L725 WeakPolarHBondContact O-CG 3.36Å; L721-L725 PolarHBondContact O-N 3.45Å; Q722-L725 PolarHBondContact O-N 3.26Å; L725-P727 WeakPolarHBondContact O-CD 3.34Å
726	F	63.2	Low	58.8	Low	22 Å²	22	79.9 Å²	79.9	10%	0.096	45%	0.448	C	S	.	.			trans	-123.9	89.8	-169	-58.7	-63.8	0	0	0	112.1	Q722 S728 H743 W746	Q722-F726 WeakPolarHBondContact O-CB 3.37Å; Q722-F726 WeakPolarHBondContact O-CD2 3.27Å; Q722-F726 PolarHBondContact O-N 3.04Å; F726-S728 PolarHBondContact O-N 3.49Å; F726-H743 VanDerWaalsContact CB-CD2 3.49Å; F726-H743 WeakPolarHBondContact CB-CD2 3.24Å; F726-H743 AromaticContact CD1-CD2 3.26Å; F726-H743 WeakPolarHBondContact CD1-CD2 3.37Å; F726-H743 AromaticContact CD1-NE2 3.43Å; F726-H743 WeakPolarHBondContact CD1-NE2 3.48Å; F726-H743 AromaticContact CD2-CD2 3.77Å; F726-H743 AromaticContact CE1-CD2 3.98Å; F726-H743 AromaticContact CG-CD2 3.18Å; F726-H743 WeakPolarHBondContact CG-CD2 3.45Å; F726-H743 AromaticContact CG-NE2 3.62Å; F726-W746 HydrophobicContact CE2-CB 3.9Å; F726-W746 HydrophobicContact CE2-CG 4.44Å; F726-W746 HydrophobicContact CZ-CB 3.46Å; F726-W746 VanDerWaalsContact CZ-CB 3.46Å; F726-W746 HydrophobicContact CZ-CD2 4.32Å; F726-W746 AromaticContact CZ-CG 3.68Å; F726-W746 HydrophobicContact CZ-CG 3.68Å
727	P	50.6	Low	59.6	Low	94 Å²	94	85.3 Å²	85.3	61%	0.61	48%	0.477	S	S	*	.	S	Bend	trans	-69.5	-3.8	179.4	28	-34.4	0	0	0	114.2	Q193 L725 P729	Q193-P727 VanDerWaalsContact OE1-CG 3.32Å; L725-P727 WeakPolarHBondContact O-CD 3.34Å; P727-P729 WeakPolarHBondContact O-CD 3.39Å
728	S	58.1	Low	60	Low	66 Å²	66	86 Å²	86	46%	0.462	48%	0.477	S	S	.	.			trans	-110.1	95.3	172.3	-178.7	0	0	0	0	109.8	F726 N730	F726-S728 PolarHBondContact O-N 3.49Å; S728-N730 PolarHBondContact O-N 2.94Å
729	P	56.1	Low	60.6	Low	96 Å²	96	83.5 Å²	83.5	62%	0.623	47%	0.466	S	S	*	.			trans	-68.2	-14.6	178.4	27	-34.5	0	0	0	113.4	P727 C731	P727-P729 WeakPolarHBondContact O-CD 3.39Å; P729-C731 PolarHBondContact O-N 3.39Å
730	N	61	Low	61.3	Low	138 Å²	138	83 Å²	83	74%	0.738	46%	0.455	S	S	*	.			trans	-105	55.2	-170.3	-64	-5.3	0	0	0	112.3	S728 E732	S728-N730 PolarHBondContact O-N 2.94Å; N730-E732 PolarHBondContact O-N 2.81Å
731	C	69.7	Low	62.3	Low	31 Å²	31	77.7 Å²	77.7	21%	0.209	43%	0.431	C	S	.	.			trans	-76.2	110.1	174.3	-176.3	0	0	0	0	111.1	P729 H733 C734 H743	P729-C731 PolarHBondContact O-N 3.39Å; C731-H733 PolarHBondContact O-N 2.76Å; C731-C734 HydrophobicContact CB-CB 4.27Å; C731-C734 VanDerWaalsContact CB-SG 3.56Å; C731-C734 WeakPolarHBondContact O-CB 3.38Å; C731-C734 PolarHBondContact O-N 3.18Å; C731-H743 WeakPolarHBondContact CB-CE1 3.3Å; C731-H743 WeakPolarHBondContact CB-ND1 3.37Å; C731-H743 PolarHBondContact SG-ND1 3.4Å
732	E	66.9	Low	63.2	Low	171 Å²	171	78.9 Å²	78.9	80%	0.799	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-29.1	179.3	-60.7	-178.1	175.8	0	0	113.2	N730	N730-E732 PolarHBondContact O-N 2.81Å
733	H	67.7	Low	64.1	Low	103 Å²	103	76 Å²	76	48%	0.477	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-8	-179.3	-60.8	-47.4	0	0	0	115	C731 T736 S739 C741	C731-H733 PolarHBondContact O-N 2.76Å; H733-T736 PolarHBondContact O-OG1 3.41Å; H733-S739 PolarHBondContact O-OG 3.31Å; H733-S739 VanDerWaalsContact O-OG 3.04Å; H733-C741 HydrophobicContact CB-CB 3.78Å
734	C	72	Confident	65.1	Low	53 Å²	53	70.5 Å²	70.5	36%	0.358	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-42.5	176.3	-81.4	0	0	0	0	111.9	C731 T736 C741 H743 K744	C731-C734 HydrophobicContact CB-CB 4.27Å; C731-C734 VanDerWaalsContact CB-SG 3.56Å; C731-C734 WeakPolarHBondContact O-CB 3.38Å; C731-C734 PolarHBondContact O-N 3.18Å; C734-T736 PolarHBondContact O-N 2.97Å; C734-C741 VanDerWaalsContact SG-SG 3.65Å; C734-H743 WeakPolarHBondContact SG-CB 3.43Å; C734-K744 WeakPolarHBondContact O-CE 3.41Å
735	G	64.6	Low	66.2	Low	71 Å²	71	65.1 Å²	65.1	73%	0.732	37%	0.372	S	S	*	.	S	Bend	trans	-81.5	-6.1	-175.4	0	0	0	0	0	115.6
736	T	65.7	Low	67.4	Low	70 Å²	70	65.1 Å²	65.1	43%	0.429	37%	0.371	S	S	.	.			trans	-101.3	104.7	178.9	37.8	0	0	0	0	110.2	H733 C734 Q738 S739 K744	H733-T736 PolarHBondContact O-OG1 3.41Å; C734-T736 PolarHBondContact O-N 2.97Å; T736-Q738 VanDerWaalsContact C-N 3.3Å; T736-Q738 PolarHBondContact O-N 3.22Å; T736-Q738 VanDerWaalsContact O-N 3.17Å; T736-S739 PolarHBondContact O-N 2.78Å; T736-S739 PolarHBondContact O-OG 3.06Å; T736-S739 PolarHBondContact OG1-OG 2.84Å; T736-K744 PolarHBondContact O-NZ 3.41Å
737	D	60.5	Low	68.1	Low	156 Å²	156	65.3 Å²	65.3	83%	0.834	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.4	-49.2	-171.6	-72	-39.7	0	0	0	113.7	S739 K744	D737-S739 VanDerWaalsContact C-N 3.33Å; D737-S739 PolarHBondContact O-N 3.45Å; D737-K744 PolarHBondContact O-NZ 2.97Å
738	Q	59.3	Low	69.6	Low	118 Å²	118	64.2 Å²	64.2	55%	0.551	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-18.8	-176.5	-67.8	174.2	-14.3	0	0	114.8	D666 I668 T736	D666-Q738 HydrophobicContact CB-CG 4.49Å; D666-Q738 PolarHBondContact OD2-NE2 2.86Å; I668-Q738 WeakPolarHBondContact CG1-O 3.22Å; T736-Q738 VanDerWaalsContact C-N 3.3Å; T736-Q738 PolarHBondContact O-N 3.22Å; T736-Q738 VanDerWaalsContact O-N 3.17Å
739	S	63	Low	70.9	Confident	29 Å²	29	63.6 Å²	63.6	20%	0.203	35%	0.352	C	S	.	.			trans	-92.5	127.8	-179.9	68.5	0	0	0	0	112.3	H733 T736 D737 K744	H733-S739 PolarHBondContact O-OG 3.31Å; H733-S739 VanDerWaalsContact O-OG 3.04Å; T736-S739 PolarHBondContact O-N 2.78Å; T736-S739 PolarHBondContact O-OG 3.06Å; T736-S739 PolarHBondContact OG1-OG 2.84Å; D737-S739 VanDerWaalsContact C-N 3.33Å; D737-S739 PolarHBondContact O-N 3.45Å; S739-K744 WeakPolarHBondContact O-CD 3.28Å; S739-K744 PolarHBondContact O-NZ 2.8Å
740	M	69.3	Low	72.4	Confident	39 Å²	39	60.6 Å²	60.6	19%	0.192	33%	0.33	C	S	.	.			trans	-79.5	136.4	169	-80.4	-61.1	-60.3	0	0	111.4	M634 L745 Y749 M772	M634-M740 HydrophobicContact CE-CE 3.72Å; M634-M740 HydrophobicContact CE-SD 4.17Å; M634-M740 HydrophobicContact SD-CE 3.65Å; M740-L745 HydrophobicContact CE-CB 4.3Å; M740-Y749 HydrophobicContact CE-CD2 3.83Å; M740-Y749 HydrophobicContact CE-CE2 3.68Å; M740-Y749 HydrophobicContact SD-CD2 4.33Å; M740-Y749 HydrophobicContact SD-CE2 3.55Å; M740-Y749 VanDerWaalsContact SD-CE2 3.55Å; M740-M772 HydrophobicContact CB-CG 4.41Å; M740-M772 HydrophobicContact CB-SD 4Å; M740-M772 HydrophobicContact CE-SD 4.01Å
741	C	75.5	Confident	73.7	Confident	7 Å²	7	54 Å²	54	5%	0.047	30%	0.295	C	S	.	.			trans	-141.2	165.2	174.3	74.9	0	0	0	0	110.9	H733 C734 H743 K744 L745	H733-C741 HydrophobicContact CB-CB 3.78Å; C734-C741 VanDerWaalsContact SG-SG 3.65Å; C741-H743 VanDerWaalsContact C-N 3.32Å; C741-H743 PolarHBondContact O-N 2.96Å; C741-K744 PolarHBondContact O-N 2.74Å; C741-L745 PolarHBondContact O-N 3.04Å
742	W	74.9	Confident	74.5	Confident	38 Å²	38	55.5 Å²	55.5	14%	0.144	30%	0.296	C	S	.	.	H	α-helix	trans	-59.9	-39	-176.3	-62.4	98.3	0	0	0	113.4	P262 D263 L745 W746 M772 S795 I796	P262-W742 HydrophobicContact CB-CD2 3.48Å; P262-W742 VanDerWaalsContact CB-CD2 3.48Å; P262-W742 VanDerWaalsContact CB-CE2 3.5Å; P262-W742 HydrophobicContact CB-CE3 3.54Å; P262-W742 HydrophobicContact CB-CG 4.14Å; P262-W742 HydrophobicContact CB-CH2 3.71Å; P262-W742 HydrophobicContact CB-CZ2 3.62Å; P262-W742 HydrophobicContact CB-CZ3 3.66Å; P262-W742 HydrophobicContact CG-CD2 4.33Å; P262-W742 HydrophobicContact CG-CE3 4.18Å; P262-W742 HydrophobicContact CG-CZ3 4.48Å; P262-W742 VanDerWaalsContact O-CZ2 3.27Å; P262-W742 WeakPolarHBondContact O-CZ2 3.37Å; P262-W742 PolarHBondContact O-NE1 3.47Å; D263-W742 VanDerWaalsContact CA-NE1 3.32Å; W742-L745 HydrophobicContact CE3-CD2 4.18Å; W742-L745 HydrophobicContact CZ3-CD2 4.16Å; W742-L745 PolarHBondContact O-N 2.91Å; W742-W746 HydrophobicContact CE3-CE3 4.3Å; W742-W746 HydrophobicContact CE3-CH2 4.03Å; W742-W746 AromaticContact CE3-CZ3 3.43Å; W742-W746 HydrophobicContact CE3-CZ3 3.43Å; W742-W746 VanDerWaalsContact CE3-CZ3 3.43Å; W742-W746 HydrophobicContact CZ3-CH2 4.16Å; W742-W746 AromaticContact CZ3-CZ3 3.8Å; W742-W746 HydrophobicContact CZ3-CZ3 3.8Å; W742-W746 PolarHBondContact O-N 2.92Å; W742-M772 HydrophobicContact CD2-CE 3.29Å; W742-M772 HydrophobicContact CE3-CE 3.71Å; W742-M772 HydrophobicContact CG-CE 3.79Å; W742-M772 HydrophobicContact CH2-CE 3.93Å; W742-M772 HydrophobicContact CZ2-CE 3.54Å; W742-M772 HydrophobicContact CZ3-CE 4.01Å; W742-S795 VanDerWaalsContact CH2-O 3.29Å; W742-S795 WeakPolarHBondContact CH2-O 3.41Å; W742-I796 HydrophobicContact CH2-CB 4.38Å; W742-I796 HydrophobicContact CH2-CG2 3.8Å; W742-I796 HydrophobicContact CZ3-CB 3.95Å; W742-I796 HydrophobicContact CZ3-CG2 3.57Å
743	H	76.2	Confident	75.6	Confident	31 Å²	31	47.5 Å²	47.5	14%	0.144	26%	0.258	C	S	.	.	H	α-helix	trans	-57.6	-54.5	172.6	-54.1	88.5	0	0	0	111.2	F726 C731 C734 C741 L745 W746 S747	F726-H743 VanDerWaalsContact CB-CD2 3.49Å; F726-H743 WeakPolarHBondContact CB-CD2 3.24Å; F726-H743 AromaticContact CD1-CD2 3.26Å; F726-H743 WeakPolarHBondContact CD1-CD2 3.37Å; F726-H743 AromaticContact CD1-NE2 3.43Å; F726-H743 WeakPolarHBondContact CD1-NE2 3.48Å; F726-H743 AromaticContact CD2-CD2 3.77Å; F726-H743 AromaticContact CE1-CD2 3.98Å; F726-H743 AromaticContact CG-CD2 3.18Å; F726-H743 WeakPolarHBondContact CG-CD2 3.45Å; F726-H743 AromaticContact CG-NE2 3.62Å; C731-H743 WeakPolarHBondContact CB-CE1 3.3Å; C731-H743 WeakPolarHBondContact CB-ND1 3.37Å; C731-H743 PolarHBondContact SG-ND1 3.4Å; C734-H743 WeakPolarHBondContact SG-CB 3.43Å; C741-H743 VanDerWaalsContact C-N 3.32Å; C741-H743 PolarHBondContact O-N 2.96Å; H743-L745 VanDerWaalsContact C-N 3.31Å; H743-L745 PolarHBondContact O-N 2.86Å; H743-W746 PolarHBondContact O-N 3.43Å; H743-W746 VanDerWaalsContact O-N 3.15Å; H743-S747 PolarHBondContact O-N 2.76Å; H743-S747 PolarHBondContact O-OG 2.87Å
744	K	79	Confident	76.5	Confident	22 Å²	22	44 Å²	44	10%	0.096	24%	0.243	C	C	.	.	H	α-helix	trans	-56.9	-43.1	177.3	-74.8	-179	-179.5	-177.6	0	111.9	C734 T736 D737 S739 C741 W746 S747 N748 Y749	C734-K744 WeakPolarHBondContact O-CE 3.41Å; T736-K744 PolarHBondContact O-NZ 3.41Å; D737-K744 PolarHBondContact O-NZ 2.97Å; S739-K744 WeakPolarHBondContact O-CD 3.28Å; S739-K744 PolarHBondContact O-NZ 2.8Å; C741-K744 PolarHBondContact O-N 2.74Å; K744-W746 VanDerWaalsContact C-N 3.34Å; K744-W746 PolarHBondContact O-N 2.83Å; K744-S747 PolarHBondContact O-N 3.35Å; K744-S747 PolarHBondContact O-OG 3.25Å; K744-N748 WeakPolarHBondContact O-CA 3.26Å; K744-N748 WeakPolarHBondContact O-CB 3.36Å; K744-N748 PolarHBondContact O-N 2.81Å; K744-Y749 WeakPolarHBondContact O-CD2 3.47Å
745	L	80.1	Confident	77.2	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.4	-43.8	178	173.1	55.3	0	0	0	111.7	M634 M740 C741 W742 H743 Y749 I751 M772 I796	M634-L745 HydrophobicContact CG-CD1 4.2Å; M634-L745 HydrophobicContact SD-CD1 3.77Å; M740-L745 HydrophobicContact CE-CB 4.3Å; C741-L745 PolarHBondContact O-N 3.04Å; W742-L745 HydrophobicContact CE3-CD2 4.18Å; W742-L745 HydrophobicContact CZ3-CD2 4.16Å; W742-L745 PolarHBondContact O-N 2.91Å; H743-L745 VanDerWaalsContact C-N 3.31Å; H743-L745 PolarHBondContact O-N 2.86Å; L745-Y749 PolarHBondContact O-N 2.81Å; L745-Y749 VanDerWaalsContact O-O 3.09Å; L745-I751 HydrophobicContact CD1-CD1 4.24Å; L745-I751 HydrophobicContact CD1-CG1 4.21Å; L745-M772 HydrophobicContact CB-SD 4.34Å; L745-M772 HydrophobicContact CD2-CB 4.23Å; L745-M772 HydrophobicContact CD2-CE 4.42Å; L745-M772 HydrophobicContact CD2-SD 4.09Å; L745-I796 HydrophobicContact CD2-CG2 4.14Å
746	W	82.4	Confident	77.9	Confident	13 Å²	13	43.5 Å²	43.5	5%	0.049	22%	0.217	C	C	.	.	H	α-helix	trans	-78.4	-25.7	179.2	-97.1	-111.2	0	0	0	114.7	P194 I196 S197 P198 R637 F726 W742 H743 K744	P194-W746 HydrophobicContact CG-CD2 4.32Å; P194-W746 HydrophobicContact CG-CH2 4.11Å; P194-W746 HydrophobicContact CG-CZ2 3.23Å; I196-W746 PolarHBondContact O-NE1 3.4Å; S197-W746 PolarHBondContact O-NE1 3.05Å; P198-W746 HydrophobicContact CB-CD2 4.28Å; P198-W746 HydrophobicContact CB-CE3 4.33Å; P198-W746 HydrophobicContact CB-CZ3 4.46Å; P198-W746 HydrophobicContact CG-CD2 4.06Å; P198-W746 HydrophobicContact CG-CE3 3.9Å; P198-W746 HydrophobicContact CG-CH2 3.47Å; P198-W746 VanDerWaalsContact CG-CH2 3.47Å; P198-W746 HydrophobicContact CG-CZ2 3.62Å; P198-W746 HydrophobicContact CG-CZ3 3.57Å; R637-W746 VanDerWaalsContact CZ-O 3.22Å; R637-W746 PolarHBondContact NH1-O 3.03Å; R637-W746 PolarHBondContact NH2-O 2.91Å; F726-W746 HydrophobicContact CE2-CB 3.9Å; F726-W746 HydrophobicContact CE2-CG 4.44Å; F726-W746 HydrophobicContact CZ-CB 3.46Å; F726-W746 VanDerWaalsContact CZ-CB 3.46Å; F726-W746 HydrophobicContact CZ-CD2 4.32Å; F726-W746 AromaticContact CZ-CG 3.68Å; F726-W746 HydrophobicContact CZ-CG 3.68Å; W742-W746 HydrophobicContact CE3-CE3 4.3Å; W742-W746 HydrophobicContact CE3-CH2 4.03Å; W742-W746 AromaticContact CE3-CZ3 3.43Å; W742-W746 HydrophobicContact CE3-CZ3 3.43Å; W742-W746 VanDerWaalsContact CE3-CZ3 3.43Å; W742-W746 HydrophobicContact CZ3-CH2 4.16Å; W742-W746 AromaticContact CZ3-CZ3 3.8Å; W742-W746 HydrophobicContact CZ3-CZ3 3.8Å; W742-W746 PolarHBondContact O-N 2.92Å; H743-W746 PolarHBondContact O-N 3.43Å; H743-W746 VanDerWaalsContact O-N 3.15Å; K744-W746 VanDerWaalsContact C-N 3.34Å; K744-W746 PolarHBondContact O-N 2.83Å
747	S	78.5	Confident	78.4	Confident	25 Å²	25	47.2 Å²	47.2	18%	0.175	23%	0.234	C	C	.	.	H	α-helix	trans	-89.9	-45.4	178.5	67.5	0	0	0	0	112.5	R637 H743 K744	R637-S747 PolarHBondContact NH1-O 3.43Å; H743-S747 PolarHBondContact O-N 2.76Å; H743-S747 PolarHBondContact O-OG 2.87Å; K744-S747 PolarHBondContact O-N 3.35Å; K744-S747 PolarHBondContact O-OG 3.25Å
748	N	81.8	Confident	79.4	Confident	72 Å²	72	44.9 Å²	44.9	39%	0.385	22%	0.216	S	C	.	.	H	α-helix	trans	-111.3	-11.6	-162.8	-58.4	-3.7	0	0	0	114.2	R637 K744	R637-N748 PolarHBondContact N-O 2.89Å; K744-N748 WeakPolarHBondContact O-CA 3.26Å; K744-N748 WeakPolarHBondContact O-CB 3.36Å; K744-N748 PolarHBondContact O-N 2.81Å
749	Y	84.7	Confident	80.5	Confident	53 Å²	53	39.7 Å²	39.7	21%	0.208	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	153.1	-173.4	-66.1	-90.3	0	0	0	112.9	M634 E635 K636 R637 M740 K744 L745	M634-Y749 HydrophobicContact CE-CD1 4.02Å; M634-Y749 HydrophobicContact CE-CE1 3.99Å; M634-Y749 HydrophobicContact CE-CG 4.48Å; M634-Y749 HydrophobicContact CG-CD1 3.65Å; M634-Y749 HydrophobicContact CG-CE1 4.49Å; M634-Y749 HydrophobicContact CG-CG 3.9Å; M634-Y749 HydrophobicContact SD-CD1 4.03Å; M634-Y749 HydrophobicContact SD-CG 4.02Å; E635-Y749 CarbonylContact O-C 3.37Å; E635-Y749 VanDerWaalsContact O-CA 3.25Å; E635-Y749 WeakPolarHBondContact O-CA 3.29Å; E635-Y749 WeakPolarHBondContact O-CB 3.42Å; E635-Y749 WeakPolarHBondContact O-CD1 3.32Å; K636-Y749 HydrophobicContact CB-CD1 4.22Å; K636-Y749 HydrophobicContact CB-CE1 4.04Å; K636-Y749 HydrophobicContact CG-CE1 4.45Å; R637-Y749 VanDerWaalsContact CZ-O 3.24Å; R637-Y749 PolarHBondContact NE-O 3.03Å; R637-Y749 PolarHBondContact NH2-O 3.17Å; M740-Y749 HydrophobicContact CE-CD2 3.83Å; M740-Y749 HydrophobicContact CE-CE2 3.68Å; M740-Y749 HydrophobicContact SD-CD2 4.33Å; M740-Y749 HydrophobicContact SD-CE2 3.55Å; M740-Y749 VanDerWaalsContact SD-CE2 3.55Å; K744-Y749 WeakPolarHBondContact O-CD2 3.47Å; L745-Y749 PolarHBondContact O-N 2.81Å; L745-Y749 VanDerWaalsContact O-O 3.09Å
750	Q	87.2	Confident	81.1	Confident	33 Å²	33	39.5 Å²	39.5	15%	0.154	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	152	167.7	68	-172.1	18.3	0	0	108.8	I199 L201 M634 E635 R637	I199-Q750 HydrophobicContact CB-CB 4.41Å; I199-Q750 HydrophobicContact CG2-CB 4.12Å; L201-Q750 VanDerWaalsContact CD1-CD 3.47Å; L201-Q750 HydrophobicContact CD1-CG 4.17Å; L201-Q750 VanDerWaalsContact CD1-NE2 3.32Å; M634-Q750 WeakPolarHBondContact CA-O 3.35Å; E635-Q750 HydrophobicContact CB-CG 3.87Å; E635-Q750 PolarHBondContact N-O 3.35Å; E635-Q750 PolarHBondContact O-N 3.01Å; E635-Q750 PolarHBondContact OE2-NE2 2.98Å; R637-Q750 HydrophobicContact CG-CB 4.35Å
751	I	88.6	Confident	81.2	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.5	-179.7	-61.5	-175.3	0	0	0	108.5	P198 I199 Y200 L201 W632 S633 L745 I753 L773 I796	P198-I751 HydrophobicContact CB-CD1 3.75Å; P198-I751 HydrophobicContact CB-CG1 4.26Å; P198-I751 HydrophobicContact CG-CD1 3.69Å; I199-I751 PolarHBondContact O-N 3.18Å; Y200-I751 CarbonylContact C-O 3.53Å; Y200-I751 WeakPolarHBondContact CA-O 3.46Å; L201-I751 PolarHBondContact N-O 2.93Å; W632-I751 HydrophobicContact CE3-CG2 3.53Å; W632-I751 HydrophobicContact CZ3-CG2 3.92Å; S633-I751 WeakPolarHBondContact O-CA 3.27Å; L745-I751 HydrophobicContact CD1-CD1 4.24Å; L745-I751 HydrophobicContact CD1-CG1 4.21Å; I751-I753 HydrophobicContact CG2-CG1 4.2Å; I751-L773 HydrophobicContact CD1-CD2 4.1Å; I751-L773 HydrophobicContact CG1-CD2 4.37Å; I751-L773 HydrophobicContact CG2-CD2 4.41Å; I751-I796 HydrophobicContact CD1-CD1 3.3Å
752	R	87.4	Confident	80.7	Confident	62 Å²	62	53.7 Å²	53.7	23%	0.234	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	132	176.1	-160.5	169	-159.6	-123.5	5	109.4	L201 E204 W632 S633 E635	L201-R752 HydrophobicContact CB-CG 4.3Å; L201-R752 WeakPolarHBondContact O-CA 3.37Å; E204-R752 VanDerWaalsContact CD-NH2 3.34Å; E204-R752 IonicContact OE1-CZ 3.7Å; E204-R752 IonicContact OE1-NH1 3.93Å; E204-R752 IonicContact OE1-NH2 2.67Å; E204-R752 PolarHBondContact OE1-NH2 2.87Å; W632-R752 WeakPolarHBondContact CA-O 3.28Å; S633-R752 PolarHBondContact N-O 3.36Å; S633-R752 PolarHBondContact O-N 3.49Å; E635-R752 WeakPolarHBondContact OE1-CD 3.31Å; E635-R752 IonicContact OE1-NE 3.96Å
753	I	88.3	Confident	80.1	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.015	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	98.3	-173.6	-55.6	177.3	0	0	0	107.6	Y200 L201 L221 W632 I751 L755	Y200-I753 HydrophobicContact CD2-CD1 3.94Å; Y200-I753 HydrophobicContact CG-CD1 4.42Å; L201-I753 PolarHBondContact O-N 3.14Å; L221-I753 HydrophobicContact CD1-CD1 3.5Å; W632-I753 HydrophobicContact CD2-CD1 4.42Å; W632-I753 HydrophobicContact CD2-CG1 4.16Å; W632-I753 HydrophobicContact CE3-CD1 4.15Å; W632-I753 HydrophobicContact CE3-CG1 4.07Å; W632-I753 HydrophobicContact CH2-CD1 3.63Å; W632-I753 HydrophobicContact CH2-CG1 4.39Å; W632-I753 HydrophobicContact CZ2-CD1 3.98Å; W632-I753 HydrophobicContact CZ3-CD1 3.71Å; W632-I753 HydrophobicContact CZ3-CG1 4.14Å; I751-I753 HydrophobicContact CG2-CG1 4.2Å; I753-L755 HydrophobicContact CG2-CD2 4.19Å; I753-L755 HydrophobicContact CG2-CG 4.21Å
754	L	87.1	Confident	79.1	Confident	29 Å²	29	57.7 Å²	57.7	15%	0.152	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	128.9	176	-57	175.5	0	0	0	108.8	C630 Q631 K758 V759	C630-L754 CarbonylContact C-O 3.53Å; C630-L754 VanDerWaalsContact CA-O 3.25Å; C630-L754 WeakPolarHBondContact CA-O 3.37Å; Q631-L754 HydrophobicContact CB-CB 4.38Å; Q631-L754 PolarHBondContact N-O 3.48Å; Q631-L754 WeakPolarHBondContact O-CB 3.4Å; Q631-L754 PolarHBondContact O-N 3.12Å; L754-K758 HydrophobicContact CD2-CB 4.46Å; L754-V759 HydrophobicContact CB-CG2 4.13Å; L754-V759 VanDerWaalsContact O-CG2 3.31Å; L754-V759 WeakPolarHBondContact O-CG2 3.21Å
755	L	87.1	Confident	77.7	Confident	49 Å²	49	62 Å²	62	26%	0.257	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	149.8	-176.6	-70	176	0	0	0	112.5	C630 I753 D757 K758	C630-L755 HydrophobicContact CB-CD2 3.98Å; I753-L755 HydrophobicContact CG2-CD2 4.19Å; I753-L755 HydrophobicContact CG2-CG 4.21Å; L755-D757 PolarHBondContact O-N 3.35Å; L755-K758 WeakPolarHBondContact O-CB 3.29Å; L755-K758 PolarHBondContact O-N 3.35Å
756	K	78.9	Confident	76.2	Confident	65 Å²	65	66.7 Å²	66.7	28%	0.283	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	48.1	-120.1	172.2	-58.9	178.1	-177.3	177.5	0	110.3	E291 L629 K758 V759	E291-K756 VanDerWaalsContact CD-NZ 3.3Å; E291-K756 IonicContact OE1-NZ 3.44Å; E291-K756 PolarHBondContact OE1-NZ 3.12Å; E291-K756 IonicContact OE2-NZ 2.59Å; E291-K756 PolarHBondContact OE2-NZ 3.08Å; L629-K756 PolarHBondContact O-N 3.1Å; K756-K758 VanDerWaalsContact C-N 3.26Å; K756-K758 PolarHBondContact O-N 3.02Å; K756-V759 WeakPolarHBondContact O-CG2 3.23Å; K756-V759 PolarHBondContact O-N 3.36Å
757	D	76.4	Confident	74.7	Confident	148 Å²	148	66.9 Å²	66.9	79%	0.791	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-71.1	-14.2	-173.6	-55.2	-57.5	0	0	0	114.8	L755 V759	L755-D757 PolarHBondContact O-N 3.35Å; D757-V759 PolarHBondContact O-N 3.16Å
758	K	82.5	Confident	73.2	Confident	107 Å²	107	67.6 Å²	67.6	47%	0.465	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-75.3	-7.8	173.9	-60.5	-179.2	-175.2	172	0	112.8	D203 L754 L755 K756 P760	D203-K758 IonicContact OD1-NZ 3.19Å; D203-K758 PolarHBondContact OD1-NZ 3.25Å; L754-K758 HydrophobicContact CD2-CB 4.46Å; L755-K758 WeakPolarHBondContact O-CB 3.29Å; L755-K758 PolarHBondContact O-N 3.35Å; K756-K758 VanDerWaalsContact C-N 3.26Å; K756-K758 PolarHBondContact O-N 3.02Å; K758-P760 WeakPolarHBondContact O-CD 3.44Å
759	V	81.9	Confident	71.7	Confident	8 Å²	8	67.4 Å²	67.4	5%	0.048	33%	0.325	C	S	.	.	S	Bend	trans	-86.1	124.3	-174.5	-174.8	0	0	0	0	112.1	P628 Q631 L754 K756 D757 K761	P628-V759 HydrophobicContact CB-CB 4.13Å; P628-V759 HydrophobicContact CB-CG1 3.73Å; Q631-V759 HydrophobicContact CB-CG1 3.71Å; L754-V759 HydrophobicContact CB-CG2 4.13Å; L754-V759 VanDerWaalsContact O-CG2 3.31Å; L754-V759 WeakPolarHBondContact O-CG2 3.21Å; K756-V759 WeakPolarHBondContact O-CG2 3.23Å; K756-V759 PolarHBondContact O-N 3.36Å; D757-V759 PolarHBondContact O-N 3.16Å; V759-K761 PolarHBondContact O-N 3.12Å
760	P	76.2	Confident	70.4	Confident	25 Å²	25	65.2 Å²	65.2	16%	0.162	32%	0.316	C	S	.	.			trans	-58	126.4	177.9	-28.1	36.5	0	0	0	113.4	R601 K758 K762 E764	R601-P760 PolarHBondContact NH1-O 2.99Å; R601-P760 VanDerWaalsContact NH1-O 3.14Å; R601-P760 PolarHBondContact NH2-O 3.4Å; K758-P760 WeakPolarHBondContact O-CD 3.44Å; P760-K762 CarbonylContact C-O 3.37Å; P760-K762 VanDerWaalsContact CB-O 3.25Å; P760-K762 WeakPolarHBondContact CB-O 3.44Å; P760-K762 PolarHBondContact O-N 3.14Å; P760-E764 HydrophobicContact CB-CG 4.28Å; P760-E764 HydrophobicContact CG-CG 4.5Å
761	K	70.2	Confident	69.2	Low	172 Å²	172	66.2 Å²	66.2	75%	0.748	33%	0.326	S	S	*	.	S	Bend	trans	-62.4	-25.5	-179.2	-71.2	-173.8	178.3	178.2	0	114.3	V759	V759-K761 PolarHBondContact O-N 3.12Å
762	K	66.3	Low	68.6	Low	172 Å²	172	67 Å²	67	75%	0.748	33%	0.33	S	S	*	.	S	Bend	trans	-112.2	144	164.9	-73.5	-177.2	173.9	-175.9	0	107.9	P760 E764	P760-K762 CarbonylContact C-O 3.37Å; P760-K762 VanDerWaalsContact CB-O 3.25Å; P760-K762 WeakPolarHBondContact CB-O 3.44Å; P760-K762 PolarHBondContact O-N 3.14Å; K762-E764 PolarHBondContact O-N 3.16Å
763	P	61.5	Low	68.4	Low	39 Å²	39	64.1 Å²	64.1	25%	0.253	32%	0.319	S	S	.	.			trans	-62	124.9	165.8	27.3	-32.5	0	0	0	109.1	F767	P763-F767 HydrophobicContact CB-CD2 4.44Å; P763-F767 HydrophobicContact CB-CE2 4.47Å
764	E	54.1	Low	68.3	Low	115 Å²	115	65.3 Å²	65.3	54%	0.537	32%	0.324	S	S	.	.			trans	-70.5	162.4	171.7	-70.4	165.9	174.4	0	0	110.6	P760 K762 F767	P760-E764 HydrophobicContact CB-CG 4.28Å; P760-E764 HydrophobicContact CG-CG 4.5Å; K762-E764 PolarHBondContact O-N 3.16Å; E764-F767 HydrophobicContact CB-CE2 4.17Å; E764-F767 WeakPolarHBondContact O-CD2 3.45Å
765	L	49.8	Very low	68.5	Low	112 Å²	112	63.9 Å²	63.9	59%	0.586	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-79.1	-18	-170.6	-88.8	140.5	0	0	0	114.1	F551 F767	F551-L765 HydrophobicContact CD1-CD2 4.21Å; F551-L765 HydrophobicContact CD2-CD2 4.05Å; F551-L765 HydrophobicContact CE1-CD2 4.19Å; F551-L765 HydrophobicContact CE2-CD2 3.99Å; F551-L765 HydrophobicContact CG-CD2 4.19Å; F551-L765 HydrophobicContact CZ-CD2 4.09Å; L765-F767 PolarHBondContact O-N 3.16Å
766	D	48.9	Very low	68.6	Low	99 Å²	99	62.6 Å²	62.6	53%	0.529	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-68.7	-4.6	-174.9	-74.8	-55.8	0	0	0	115.6	Y665 I768	Y665-D766 PolarHBondContact OH-OD1 3.26Å; D766-I768 PolarHBondContact O-N 3.27Å
767	F	51.4	Low	69.3	Low	16 Å²	16	61.1 Å²	61.1	7%	0.07	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-72.8	14.2	-179	-60.8	-57.4	0	0	0	115.3	R599 Q631 P763 E764 L765 N769 T770	R599-F767 HydrophobicContact CB-CB 4.32Å; R599-F767 HydrophobicContact CG-CB 4.38Å; R599-F767 PolarHBondContact NH1-O 3.14Å; Q631-F767 HydrophobicContact CG-CE1 4.1Å; Q631-F767 HydrophobicContact CG-CZ 3.72Å; P763-F767 HydrophobicContact CB-CD2 4.44Å; P763-F767 HydrophobicContact CB-CE2 4.47Å; E764-F767 HydrophobicContact CB-CE2 4.17Å; E764-F767 WeakPolarHBondContact O-CD2 3.45Å; L765-F767 PolarHBondContact O-N 3.16Å; F767-N769 PolarHBondContact O-N 3.17Å; F767-T770 HydrophobicContact CD1-CG2 4.3Å; F767-T770 PolarHBondContact O-N 3.17Å; F767-T770 PolarHBondContact O-OG1 2.71Å
768	I	47.9	Very low	70.3	Confident	40 Å²	40	54 Å²	54	21%	0.205	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-59.3	-36.9	178	-63.7	178.1	0	0	0	111.1	D766	D766-I768 PolarHBondContact O-N 3.27Å
769	N	48.6	Very low	70.9	Confident	69 Å²	69	51.1 Å²	51.1	37%	0.369	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-92.7	10	-173.3	-66.9	-17.9	0	0	0	115.6	M634 F767 P771	M634-N769 WeakPolarHBondContact CE-O 3.16Å; F767-N769 PolarHBondContact O-N 3.17Å; N769-P771 WeakPolarHBondContact O-CD 3.35Å
770	T	58.4	Low	71.6	Confident	6 Å²	6	51.2 Å²	51.2	4%	0.037	25%	0.252	C	S	.	.			trans	-105.9	23.3	-171.1	57.4	0	0	0	0	118.7	R599 M634 F767 M772 L773	R599-T770 WeakPolarHBondContact CD-OG1 3.48Å; M634-T770 HydrophobicContact CB-CG2 4.36Å; F767-T770 HydrophobicContact CD1-CG2 4.3Å; F767-T770 PolarHBondContact O-N 3.17Å; F767-T770 PolarHBondContact O-OG1 2.71Å; T770-M772 PolarHBondContact O-N 3.13Å; T770-L773 HydrophobicContact CG2-CD1 3.7Å; T770-L773 HydrophobicContact CG2-CG 4.38Å; T770-L773 PolarHBondContact O-N 3.5Å
771	P	62.4	Low	72.5	Confident	55 Å²	55	50.1 Å²	50.1	36%	0.357	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-63	-18.3	177.9	29.2	-34.9	0	0	0	113.2	N769 L773 K774	N769-P771 WeakPolarHBondContact O-CD 3.35Å; P771-L773 VanDerWaalsContact C-N 3.25Å; P771-L773 PolarHBondContact O-N 2.89Å; P771-K774 WeakPolarHBondContact O-CB 3.39Å; P771-K774 PolarHBondContact O-N 3.3Å
772	M	74.9	Confident	73.5	Confident	17 Å²	17	44.6 Å²	44.6	8%	0.084	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-66.4	-25	172.5	-55.1	-147.3	78.8	0	0	113	M740 W742 L745 T770 K774 S795 I796	M740-M772 HydrophobicContact CB-CG 4.41Å; M740-M772 HydrophobicContact CB-SD 4Å; M740-M772 HydrophobicContact CE-SD 4.01Å; W742-M772 HydrophobicContact CD2-CE 3.29Å; W742-M772 HydrophobicContact CE3-CE 3.71Å; W742-M772 HydrophobicContact CG-CE 3.79Å; W742-M772 HydrophobicContact CH2-CE 3.93Å; W742-M772 HydrophobicContact CZ2-CE 3.54Å; W742-M772 HydrophobicContact CZ3-CE 4.01Å; L745-M772 HydrophobicContact CB-SD 4.34Å; L745-M772 HydrophobicContact CD2-CB 4.23Å; L745-M772 HydrophobicContact CD2-CE 4.42Å; L745-M772 HydrophobicContact CD2-SD 4.09Å; T770-M772 PolarHBondContact O-N 3.13Å; M772-K774 VanDerWaalsContact C-N 3.27Å; M772-K774 PolarHBondContact O-N 3.13Å; M772-S795 PolarHBondContact O-OG 3.02Å; M772-I796 WeakPolarHBondContact O-CG2 3.32Å
773	L	83.5	Confident	74.7	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-86.8	11	-178.3	-53.7	-177.2	0	0	0	113.7	G600 W632 S633 M634 I751 T770 P771 I775 I796	G600-L773 WeakPolarHBondContact CA-O 3.32Å; G600-L773 PolarHBondContact N-O 3.48Å; W632-L773 HydrophobicContact CB-CB 4.25Å; W632-L773 HydrophobicContact CB-CD1 3.98Å; W632-L773 WeakPolarHBondContact O-CD1 3.28Å; S633-L773 VanDerWaalsContact C-CD1 3.47Å; M634-L773 HydrophobicContact CB-CD1 4.05Å; I751-L773 HydrophobicContact CD1-CD2 4.1Å; I751-L773 HydrophobicContact CG1-CD2 4.37Å; I751-L773 HydrophobicContact CG2-CD2 4.41Å; T770-L773 HydrophobicContact CG2-CD1 3.7Å; T770-L773 HydrophobicContact CG2-CG 4.38Å; T770-L773 PolarHBondContact O-N 3.5Å; P771-L773 VanDerWaalsContact C-N 3.25Å; P771-L773 PolarHBondContact O-N 2.89Å; L773-I775 PolarHBondContact O-N 3.26Å; L773-I796 HydrophobicContact CD2-CD1 4.43Å
774	K	86.3	Confident	76	Confident	28 Å²	28	34.8 Å²	34.8	12%	0.122	18%	0.18	C	C	.	.			trans	-49	125.6	179.8	170.5	172.6	179.2	178.1	0	112.7	T582 D598 E676 P771 M772 S795	T582-K774 HydrophobicContact CG2-CG 4.09Å; D598-K774 WeakPolarHBondContact O-CA 3.39Å; E676-K774 IonicContact OE1-NZ 2.73Å; E676-K774 PolarHBondContact OE1-NZ 3.13Å; P771-K774 WeakPolarHBondContact O-CB 3.39Å; P771-K774 PolarHBondContact O-N 3.3Å; M772-K774 VanDerWaalsContact C-N 3.27Å; M772-K774 PolarHBondContact O-N 3.13Å; K774-S795 PolarHBondContact N-OG 2.98Å; K774-S795 PolarHBondContact O-N 3.01Å; K774-S795 PolarHBondContact O-OG 3.25Å
775	I	91	Very high	77.6	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	122.3	167.9	-53.1	-52	0	0	0	107.5	T582 S596 T597 I602 L773 V792 A793	T582-I775 WeakPolarHBondContact CB-O 3.46Å; T582-I775 PolarHBondContact OG1-O 3.17Å; S596-I775 VanDerWaalsContact CB-CG2 3.46Å; S596-I775 WeakPolarHBondContact OG-CG2 3.49Å; T597-I775 PolarHBondContact O-N 2.93Å; T597-I775 VanDerWaalsContact O-N 3.11Å; I602-I775 HydrophobicContact CD1-CD1 4.12Å; I602-I775 HydrophobicContact CD1-CG1 4.05Å; I602-I775 HydrophobicContact CG1-CG1 4.26Å; L773-I775 PolarHBondContact O-N 3.26Å; I775-V792 HydrophobicContact CD1-CG1 3.92Å; I775-V792 HydrophobicContact CG1-CG1 4.37Å; I775-V792 HydrophobicContact CG2-CG1 3.63Å; I775-A793 CarbonylContact C-O 3.48Å; I775-A793 WeakPolarHBondContact CG2-O 3.43Å
776	N	90.4	Very high	79.7	Confident	21 Å²	21	24 Å²	24	11%	0.112	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-40.1	-178.6	-80	-28.1	0	0	0	112.7	V228 A793	V228-N776 VanDerWaalsContact O-CB 3.27Å; V228-N776 WeakPolarHBondContact O-CB 3.15Å; V228-N776 PolarHBondContact O-ND2 2.83Å; N776-A793 PolarHBondContact N-O 3.13Å
777	K	93.8	Very high	81.7	Confident	34 Å²	34	19.3 Å²	19.3	15%	0.148	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	147.1	178.4	-76.8	-66.2	-175.8	168.7	0	110.9	L231 E516 R779 A793	L231-K777 HydrophobicContact CB-CB 3.84Å; L231-K777 HydrophobicContact CB-CG 4.49Å; L231-K777 HydrophobicContact CD2-CB 4.24Å; E516-K777 IonicContact OE1-NZ 2.68Å; E516-K777 PolarHBondContact OE1-NZ 3.09Å; K777-R779 VanDerWaalsContact NZ-NH2 3.17Å; K777-A793 HydrophobicContact CB-CB 4.34Å; K777-A793 PolarHBondContact N-O 2.93Å; K777-A793 PolarHBondContact O-N 3.47Å
778	V	95.6	Very high	83.7	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	134.5	169.1	62	0	0	0	0	108.6	V594 I790 A791 V792	V594-V778 HydrophobicContact CB-CG2 4.44Å; V594-V778 HydrophobicContact CG1-CG1 4.07Å; V594-V778 HydrophobicContact CG1-CG2 3.94Å; V594-V778 HydrophobicContact CG2-CG1 4.23Å; V594-V778 HydrophobicContact CG2-CG2 3.58Å; V778-I790 HydrophobicContact CG2-CG2 3.36Å; V778-A791 WeakPolarHBondContact CA-O 3.45Å; V778-V792 HydrophobicContact CG2-CG2 4.09Å
779	R	96.4	Very high	86	Confident	45 Å²	45	16.8 Å²	16.8	17%	0.17	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	129.5	-177.3	-66.9	-63.5	177.4	-113.8	17.7	112.8	W233 E516 S583 V584 D585 K777 I790 A791	W233-R779 PolarHBondContact NE1-O 3.03Å; E516-R779 IonicContact OE1-CZ 3.94Å; E516-R779 IonicContact OE1-NH2 3.15Å; E516-R779 PolarHBondContact OE1-NH2 3.07Å; E516-R779 IonicContact OE2-NH1 2.74Å; S583-R779 PolarHBondContact OG-NH1 2.82Å; S583-R779 VanDerWaalsContact OG-NH1 3.16Å; V584-R779 PolarHBondContact O-NH1 3.08Å; D585-R779 VanDerWaalsContact OD2-CA 3.26Å; D585-R779 WeakPolarHBondContact OD2-CA 3.43Å; D585-R779 WeakPolarHBondContact OD2-CD 3.32Å; K777-R779 VanDerWaalsContact NZ-NH2 3.17Å; R779-I790 WeakPolarHBondContact O-CA 3.35Å; R779-A791 PolarHBondContact N-O 3.4Å; R779-A791 PolarHBondContact O-N 2.96Å
780	F	95.2	Very high	88.3	Confident	10 Å²	10	13.5 Å²	13.5	4%	0.044	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	147.6	167.6	-80.4	-77.1	0	0	0	110.6	D585 L590 A592 V594 V604 P782 I790 L807	D585-F780 PolarHBondContact OD2-N 3.07Å; L590-F780 HydrophobicContact CD1-CE1 4.27Å; A592-F780 HydrophobicContact CB-CZ 4.13Å; A592-F780 WeakPolarHBondContact O-CE2 3.27Å; V594-F780 HydrophobicContact CB-CD2 4.31Å; V594-F780 HydrophobicContact CB-CE2 3.63Å; V594-F780 HydrophobicContact CB-CZ 3.98Å; V594-F780 HydrophobicContact CG1-CD2 3.62Å; V594-F780 HydrophobicContact CG1-CE2 3.43Å; V594-F780 VanDerWaalsContact CG1-CE2 3.43Å; V594-F780 HydrophobicContact CG1-CZ 4.2Å; V604-F780 HydrophobicContact CG2-CZ 4.28Å; F780-P782 WeakPolarHBondContact O-CD 3.16Å; F780-I790 HydrophobicContact CD1-CD1 3.9Å; F780-I790 HydrophobicContact CD1-CG1 3.58Å; F780-I790 HydrophobicContact CE1-CD1 3.49Å; F780-I790 VanDerWaalsContact CE1-CD1 3.49Å; F780-I790 HydrophobicContact CE1-CG1 3.68Å; F780-I790 HydrophobicContact CG-CG1 4.27Å; F780-I790 HydrophobicContact CZ-CD1 3.86Å; F780-I790 HydrophobicContact CZ-CG1 4.46Å; F780-L807 HydrophobicContact CE1-CD1 4.26Å; F780-L807 HydrophobicContact CZ-CD1 4.45Å
781	N	95.3	Very high	90.1	Very high	3 Å²	3	13.2 Å²	13.2	2%	0.016	7%	0.069	C	C	.	.			trans	-71.7	121.9	170.4	-172	-23.3	0	0	0	109.7	W233 S252 N783 S786 W789	W233-N781 HydrophobicContact CD2-CB 4.23Å; W233-N781 HydrophobicContact CG-CB 4.5Å; W233-N781 HydrophobicContact CZ2-CB 4.29Å; S252-N781 WeakPolarHBondContact CB-ND2 3.23Å; S252-N781 PolarHBondContact OG-ND2 3.1Å; N781-N783 PolarHBondContact O-N 3.49Å; N781-N783 WeakPolarHBondContact OD1-CB 3.46Å; N781-N783 PolarHBondContact OD1-N 3.04Å; N781-S786 VanDerWaalsContact CG-OG 3.31Å; N781-S786 PolarHBondContact ND2-OG 3.02Å; N781-W789 HydrophobicContact CB-CB 4.17Å; N781-W789 WeakPolarHBondContact CB-O 3.23Å; N781-W789 PolarHBondContact N-O 3.03Å
782	P	92	Very high	91.8	Very high	55 Å²	55	10.7 Å²	10.7	36%	0.357	5%	0.053	S	C	.	.			trans	-75.1	-11.4	-177.2	31.8	-37.1	0	0	0	113.4	W233 F780 P784	W233-P782 HydrophobicContact CB-CG 3.97Å; F780-P782 WeakPolarHBondContact O-CD 3.16Å; P782-P784 WeakPolarHBondContact O-CD 3.36Å
783	N	90.4	Very high	92.7	Very high	5 Å²	5	9.9 Å²	9.9	3%	0.027	5%	0.049	C	C	.	.			trans	-74	121.1	176.5	177.8	3.4	0	0	0	110.5	P236 N781 T785 S786 A787	P236-N783 HydrophobicContact CB-CB 4.08Å; N781-N783 PolarHBondContact O-N 3.49Å; N781-N783 WeakPolarHBondContact OD1-CB 3.46Å; N781-N783 PolarHBondContact OD1-N 3.04Å; N783-T785 PolarHBondContact ND2-OG1 3.06Å; N783-T785 PolarHBondContact O-N 3.07Å; N783-T785 VanDerWaalsContact O-N 3.14Å; N783-T785 PolarHBondContact OD1-N 3.28Å; N783-T785 PolarHBondContact OD1-OG1 2.85Å; N783-S786 CarbonylContact O-C 3.58Å; N783-S786 PolarHBondContact O-N 3.49Å; N783-S786 PolarHBondContact O-OG 2.79Å; N783-A787 PolarHBondContact O-N 3.34Å; N783-A787 VanDerWaalsContact O-N 3.08Å
784	P	88.9	Confident	93.1	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.006	5%	0.049	C	C	.	.	G	3₁₀ helix	trans	-55.3	-29.8	177.7	-26.9	35.9	0	0	0	114.7	F136 L140 L143 L289 P782 S786	F136-P784 HydrophobicContact CZ-CB 4.23Å; F136-P784 WeakPolarHBondContact CZ-O 3.48Å; L140-P784 HydrophobicContact CD2-CB 3.57Å; L140-P784 HydrophobicContact CD2-CG 3.89Å; L140-P784 HydrophobicContact CG-CB 4.49Å; L143-P784 HydrophobicContact CD1-CG 3.96Å; L289-P784 WeakPolarHBondContact CD2-O 3.46Å; P782-P784 WeakPolarHBondContact O-CD 3.36Å; P784-S786 PolarHBondContact O-N 2.84Å
785	T	89.6	Confident	93.1	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	-71.4	-13.4	-179.3	71.3	0	0	0	0	113.7	L238 I247 G288 L289 N783 L816	L238-T785 HydrophobicContact CD2-CG2 4.38Å; I247-T785 HydrophobicContact CG2-CG2 3.84Å; G288-T785 CarbonylContact C-O 3.47Å; G288-T785 VanDerWaalsContact C-O 3.23Å; G288-T785 WeakPolarHBondContact CA-O 3.48Å; L289-T785 PolarHBondContact N-O 2.8Å; N783-T785 PolarHBondContact ND2-OG1 3.06Å; N783-T785 PolarHBondContact O-N 3.07Å; N783-T785 VanDerWaalsContact O-N 3.14Å; N783-T785 PolarHBondContact OD1-N 3.28Å; N783-T785 PolarHBondContact OD1-OG1 2.85Å; T785-L816 HydrophobicContact CG2-CD1 4.43Å; T785-L816 HydrophobicContact CG2-CD2 4.39Å
786	S	92.6	Very high	93	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	-139.3	24.9	-175.5	52.5	0	0	0	0	112.3	S252 L287 N781 N783 P784 T788 W789	S252-S786 PolarHBondContact OG-OG 3.16Å; L287-S786 WeakPolarHBondContact O-CB 3.49Å; N781-S786 VanDerWaalsContact CG-OG 3.31Å; N781-S786 PolarHBondContact ND2-OG 3.02Å; N783-S786 CarbonylContact O-C 3.58Å; N783-S786 PolarHBondContact O-N 3.49Å; N783-S786 PolarHBondContact O-OG 2.79Å; P784-S786 PolarHBondContact O-N 2.84Å; S786-T788 PolarHBondContact O-N 3.32Å; S786-W789 WeakPolarHBondContact O-CB 3.45Å; S786-W789 PolarHBondContact O-N 3.19Å
787	A	91.7	Very high	93	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.9	-170.4	0	0	0	0	0	114.8	F136 L590 N783 W789	F136-A787 HydrophobicContact CE2-CB 4.41Å; L590-A787 HydrophobicContact CD1-CB 4.39Å; L590-A787 WeakPolarHBondContact CD1-O 3.15Å; L590-A787 HydrophobicContact CD2-CB 4.32Å; L590-A787 HydrophobicContact CG-CB 4.15Å; N783-A787 PolarHBondContact O-N 3.34Å; N783-A787 VanDerWaalsContact O-N 3.08Å; A787-W789 VanDerWaalsContact C-N 3.28Å
788	T	92.7	Very high	92.9	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-13.2	175.8	48.4	0	0	0	0	113.5	L289 L590 S786 V804	L289-T788 VanDerWaalsContact C-OG1 3.27Å; L289-T788 WeakPolarHBondContact CA-OG1 3.22Å; L289-T788 HydrophobicContact CD2-CG2 4.49Å; L289-T788 PolarHBondContact O-OG1 2.87Å; L590-T788 HydrophobicContact CD1-CG2 4.16Å; S786-T788 PolarHBondContact O-N 3.32Å; T788-V804 PolarHBondContact O-N 3.43Å
789	W	96.2	Very high	93	Very high	3 Å²	3	6.6 Å²	6.6	1%	0.011	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	135.7	178.5	-73.3	88	0	0	0	112.5	L287 G288 E291 S294 L296 N781 S786 A787 F801 C803	L287-W789 HydrophobicContact CB-CG 4.42Å; L287-W789 HydrophobicContact CD1-CB 4.33Å; L287-W789 HydrophobicContact CD1-CD2 4.17Å; L287-W789 HydrophobicContact CD1-CG 3.98Å; L287-W789 HydrophobicContact CD2-CZ2 4.35Å; G288-W789 PolarHBondContact O-NE1 3.33Å; E291-W789 HydrophobicContact CG-CH2 4.36Å; E291-W789 HydrophobicContact CG-CZ2 4.43Å; S294-W789 WeakPolarHBondContact OG-CZ2 3.25Å; S294-W789 PolarHBondContact OG-NE1 3.39Å; L296-W789 HydrophobicContact CB-CH2 4.33Å; L296-W789 HydrophobicContact CD2-CH2 3.85Å; L296-W789 HydrophobicContact CD2-CZ3 3.72Å; N781-W789 HydrophobicContact CB-CB 4.17Å; N781-W789 WeakPolarHBondContact CB-O 3.23Å; N781-W789 PolarHBondContact N-O 3.03Å; S786-W789 WeakPolarHBondContact O-CB 3.45Å; S786-W789 PolarHBondContact O-N 3.19Å; A787-W789 VanDerWaalsContact C-N 3.28Å; W789-F801 HydrophobicContact CE3-CB 4.08Å; W789-F801 HydrophobicContact CZ3-CB 3.92Å; W789-C803 HydrophobicContact CD2-CB 3.94Å; W789-C803 HydrophobicContact CE3-CB 3.99Å; W789-C803 HydrophobicContact CH2-CB 3.78Å; W789-C803 HydrophobicContact CZ2-CB 3.7Å; W789-C803 HydrophobicContact CZ3-CB 3.9Å
790	I	96.7	Very high	92.9	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	135.7	174.9	-57.7	-175.3	0	0	0	108.6	V594 V604 L629 V778 R779 F780 V792 F801 I802 V804	V594-I790 HydrophobicContact CB-CD1 4.12Å; V594-I790 HydrophobicContact CG2-CD1 3.93Å; V604-I790 HydrophobicContact CG2-CD1 3.92Å; L629-I790 HydrophobicContact CD1-CD1 4.05Å; V778-I790 HydrophobicContact CG2-CG2 3.36Å; R779-I790 WeakPolarHBondContact O-CA 3.35Å; F780-I790 HydrophobicContact CD1-CD1 3.9Å; F780-I790 HydrophobicContact CD1-CG1 3.58Å; F780-I790 HydrophobicContact CE1-CD1 3.49Å; F780-I790 VanDerWaalsContact CE1-CD1 3.49Å; F780-I790 HydrophobicContact CE1-CG1 3.68Å; F780-I790 HydrophobicContact CG-CG1 4.27Å; F780-I790 HydrophobicContact CZ-CD1 3.86Å; F780-I790 HydrophobicContact CZ-CG1 4.46Å; I790-V792 HydrophobicContact CG2-CG2 4.16Å; I790-F801 WeakPolarHBondContact O-CA 3.17Å; I790-I802 PolarHBondContact N-O 2.78Å; I790-I802 PolarHBondContact O-N 3.35Å; I790-V804 HydrophobicContact CD1-CG2 3.51Å; I790-V804 HydrophobicContact CG1-CG2 3.93Å
791	A	97.6	Very high	93	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	138.2	164.7	0	0	0	0	0	109.8	L231 W233 L254 V778 R779 Q800 F801	L231-A791 HydrophobicContact CD1-CB 4.29Å; L231-A791 HydrophobicContact CD2-CB 3.92Å; L231-A791 WeakPolarHBondContact CD2-O 3.5Å; L231-A791 HydrophobicContact CG-CB 4.37Å; W233-A791 HydrophobicContact CZ2-CB 3.69Å; L254-A791 HydrophobicContact CD1-CB 3.98Å; L254-A791 HydrophobicContact CD2-CB 4.16Å; V778-A791 WeakPolarHBondContact CA-O 3.45Å; R779-A791 PolarHBondContact N-O 3.4Å; R779-A791 PolarHBondContact O-N 2.96Å; A791-Q800 WeakPolarHBondContact CA-O 3.34Å; A791-F801 HydrophobicContact CB-CD1 4.49Å; A791-F801 HydrophobicContact CB-CE1 4.39Å
792	V	97.1	Very high	93	Very high	2 Å²	2	4.7 Å²	4.7	1%	0.012	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.5	-178.1	179.1	0	0	0	0	108.5	I602 I775 V778 I790 I799 Q800 I802	I602-V792 HydrophobicContact CD1-CG1 3.81Å; I602-V792 HydrophobicContact CD1-CG2 4.31Å; I602-V792 HydrophobicContact CG1-CG1 4.17Å; I602-V792 HydrophobicContact CG1-CG2 4.31Å; I775-V792 HydrophobicContact CD1-CG1 3.92Å; I775-V792 HydrophobicContact CG1-CG1 4.37Å; I775-V792 HydrophobicContact CG2-CG1 3.63Å; V778-V792 HydrophobicContact CG2-CG2 4.09Å; I790-V792 HydrophobicContact CG2-CG2 4.16Å; V792-I799 CarbonylContact O-C 3.52Å; V792-I799 WeakPolarHBondContact O-CA 3.22Å; V792-Q800 HydrophobicContact CB-CB 4.2Å; V792-Q800 PolarHBondContact N-O 3.45Å; V792-Q800 PolarHBondContact O-N 2.96Å; V792-I802 HydrophobicContact CG2-CD1 4.03Å
793	A	94.6	Very high	93.1	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.011	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128.8	176.9	0	0	0	0	0	111.2	V228 L231 I775 N776 K777	V228-A793 HydrophobicContact CB-CB 3.98Å; V228-A793 HydrophobicContact CG1-CB 3.55Å; L231-A793 HydrophobicContact CB-CB 4.11Å; L231-A793 HydrophobicContact CD1-CB 4.27Å; L231-A793 HydrophobicContact CD2-CB 3.88Å; L231-A793 HydrophobicContact CG-CB 4.33Å; I775-A793 CarbonylContact C-O 3.48Å; I775-A793 WeakPolarHBondContact CG2-O 3.43Å; N776-A793 PolarHBondContact N-O 3.13Å; K777-A793 HydrophobicContact CB-CB 4.34Å; K777-A793 PolarHBondContact N-O 2.93Å; K777-A793 PolarHBondContact O-N 3.47Å
794	S	91.4	Very high	93.1	Very high	1 Å²	1	1.8 Å²	1.8	1%	0.007	1%	0.01	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	154.8	-178.6	65.7	0	0	0	0	113.3	V228 I796 G797 F798	V228-S794 PolarHBondContact N-O 2.83Å; S794-I796 PolarHBondContact O-N 2.98Å; S794-I796 WeakPolarHBondContact OG-CG1 3.39Å; S794-G797 PolarHBondContact O-N 2.99Å; S794-G797 PolarHBondContact OG-N 3.04Å; S794-F798 PolarHBondContact N-O 3.02Å; S794-F798 WeakPolarHBondContact OG-CA 3.31Å; S794-F798 PolarHBondContact OG-N 3.31Å; S794-F798 PolarHBondContact OG-O 3.49Å
795	S	86.8	Confident	93	Very high	12 Å²	12	4.7 Å²	4.7	8%	0.084	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-22.1	171	43.3	0	0	0	0	113.9	A227 W742 M772 K774	A227-S795 VanDerWaalsContact CA-O 3.23Å; A227-S795 WeakPolarHBondContact CA-O 3.2Å; A227-S795 WeakPolarHBondContact CB-O 3.33Å; W742-S795 VanDerWaalsContact CH2-O 3.29Å; W742-S795 WeakPolarHBondContact CH2-O 3.41Å; M772-S795 PolarHBondContact O-OG 3.02Å; K774-S795 PolarHBondContact N-OG 2.98Å; K774-S795 PolarHBondContact O-N 3.01Å; K774-S795 PolarHBondContact O-OG 3.25Å
796	I	87.2	Confident	92.7	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-2.1	-177.9	64.6	178.5	0	0	0	114	W632 W742 L745 I751 M772 L773 S794 F798	W632-I796 HydrophobicContact CE3-CD1 3.88Å; W632-I796 HydrophobicContact CZ3-CD1 3.58Å; W742-I796 HydrophobicContact CH2-CB 4.38Å; W742-I796 HydrophobicContact CH2-CG2 3.8Å; W742-I796 HydrophobicContact CZ3-CB 3.95Å; W742-I796 HydrophobicContact CZ3-CG2 3.57Å; L745-I796 HydrophobicContact CD2-CG2 4.14Å; I751-I796 HydrophobicContact CD1-CD1 3.3Å; M772-I796 WeakPolarHBondContact O-CG2 3.32Å; L773-I796 HydrophobicContact CD2-CD1 4.43Å; S794-I796 PolarHBondContact O-N 2.98Å; S794-I796 WeakPolarHBondContact OG-CG1 3.39Å; I796-F798 HydrophobicContact CD1-CD2 3.53Å; I796-F798 HydrophobicContact CD1-CE2 3.84Å; I796-F798 HydrophobicContact CG1-CD2 3.71Å; I796-F798 HydrophobicContact CG1-CE2 4.31Å
797	G	90.3	Very high	92.4	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.031	C	C	.	.	S	Bend	trans	98.8	5.5	172.3	0	0	0	0	0	116.9	Y223 A224 G225 G226 S794	Y223-G797 WeakPolarHBondContact CD2-O 3.39Å; A224-G797 PolarHBondContact N-O 3.29Å; G225-G797 PolarHBondContact N-O 2.88Å; G226-G797 WeakPolarHBondContact O-CA 3.41Å; S794-G797 PolarHBondContact O-N 2.99Å; S794-G797 PolarHBondContact OG-N 3.04Å
798	F	93.6	Very high	92.2	Very high	1 Å²	1	6.5 Å²	6.5	0%	0.004	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	145.9	167.7	-66.3	-68.6	0	0	0	112.7	S197 P198 Y200 L210 L221 I222 Y223 W632 S794 I796	S197-F798 VanDerWaalsContact CB-CZ 3.44Å; P198-F798 HydrophobicContact CG-CE2 4.22Å; Y200-F798 AromaticContact CD1-CE1 3.98Å; Y200-F798 HydrophobicContact CD1-CE1 3.98Å; Y200-F798 HydrophobicContact CD1-CE2 4.47Å; Y200-F798 AromaticContact CD1-CZ 3.55Å; Y200-F798 HydrophobicContact CD1-CZ 3.55Å; Y200-F798 AromaticContact CE1-CE1 3.98Å; Y200-F798 HydrophobicContact CE1-CE1 3.98Å; Y200-F798 HydrophobicContact CE1-CZ 4.04Å; Y200-F798 HydrophobicContact CG-CZ 4.22Å; L210-F798 HydrophobicContact CD1-CE1 4.2Å; L221-F798 HydrophobicContact CD2-CB 3.94Å; L221-F798 HydrophobicContact CD2-CD1 4.26Å; L221-F798 HydrophobicContact CD2-CG 4.23Å; I222-F798 CarbonylContact O-C 3.23Å; I222-F798 VanDerWaalsContact O-CA 3.3Å; I222-F798 WeakPolarHBondContact O-CA 3.11Å; Y223-F798 HydrophobicContact CD2-CD1 4.06Å; Y223-F798 HydrophobicContact CD2-CE1 4.09Å; Y223-F798 HydrophobicContact CG-CE1 4.42Å; W632-F798 HydrophobicContact CH2-CB 3.66Å; W632-F798 AromaticContact CH2-CD2 3.56Å; W632-F798 HydrophobicContact CH2-CD2 3.56Å; W632-F798 HydrophobicContact CH2-CE2 4.39Å; W632-F798 AromaticContact CH2-CG 3.83Å; W632-F798 HydrophobicContact CH2-CG 3.83Å; W632-F798 HydrophobicContact CZ2-CB 4.49Å; W632-F798 HydrophobicContact CZ3-CB 4.41Å; W632-F798 AromaticContact CZ3-CD2 3.49Å; W632-F798 HydrophobicContact CZ3-CD2 3.49Å; W632-F798 VanDerWaalsContact CZ3-CD2 3.49Å; W632-F798 HydrophobicContact CZ3-CE2 4.04Å; W632-F798 HydrophobicContact CZ3-CG 4.25Å; S794-F798 PolarHBondContact N-O 3.02Å; S794-F798 WeakPolarHBondContact OG-CA 3.31Å; S794-F798 PolarHBondContact OG-N 3.31Å; S794-F798 PolarHBondContact OG-O 3.49Å; I796-F798 HydrophobicContact CD1-CD2 3.53Å; I796-F798 HydrophobicContact CD1-CE2 3.84Å; I796-F798 HydrophobicContact CG1-CD2 3.71Å; I796-F798 HydrophobicContact CG1-CE2 4.31Å
799	I	96.3	Very high	92	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	121.9	163.7	-55.8	-178.6	0	0	0	107.7	L221 I222 A224 V228 L231 L254 T256 V792 F801	L221-I799 WeakPolarHBondContact CA-O 3.43Å; I222-I799 HydrophobicContact CB-CB 4.38Å; I222-I799 PolarHBondContact N-O 2.85Å; I222-I799 PolarHBondContact O-N 3.13Å; A224-I799 HydrophobicContact CB-CD1 3.9Å; A224-I799 HydrophobicContact CB-CG1 4.18Å; V228-I799 HydrophobicContact CG1-CD1 4.23Å; V228-I799 HydrophobicContact CG1-CG1 4.36Å; V228-I799 HydrophobicContact CG2-CD1 4.25Å; V228-I799 HydrophobicContact CG2-CG1 4.02Å; L231-I799 HydrophobicContact CD1-CD1 4.46Å; L231-I799 HydrophobicContact CD1-CG2 4.24Å; L254-I799 HydrophobicContact CD2-CG2 4.01Å; T256-I799 HydrophobicContact CG2-CD1 3.37Å; V792-I799 CarbonylContact O-C 3.52Å; V792-I799 WeakPolarHBondContact O-CA 3.22Å; I799-F801 HydrophobicContact CG2-CE2 4.12Å; I799-F801 HydrophobicContact CG2-CZ 4.16Å
800	Q	95.5	Very high	91.7	Very high	3 Å²	3	9.8 Å²	9.8	1%	0.014	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	137.3	-179.9	-166.2	174	31.5	0	0	110.6	L221 C630 A791 V792 I802	L221-Q800 HydrophobicContact CD2-CB 3.62Å; L221-Q800 HydrophobicContact CD2-CG 3.79Å; L221-Q800 HydrophobicContact CG-CG 4.25Å; C630-Q800 PolarHBondContact SG-OE1 2.67Å; C630-Q800 VanDerWaalsContact SG-OE1 3.36Å; A791-Q800 WeakPolarHBondContact CA-O 3.34Å; V792-Q800 HydrophobicContact CB-CB 4.2Å; V792-Q800 PolarHBondContact N-O 3.45Å; V792-Q800 PolarHBondContact O-N 2.96Å; Q800-I802 HydrophobicContact CG-CG1 4.07Å
801	F	96.4	Very high	91.4	Very high	3 Å²	3	12 Å²	12	1%	0.013	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124.2	171	-58.9	-94.2	0	0	0	109.4	N220 I222 W233 L254 C284 L296 P298 W789 I790 A791 I799	N220-F801 HydrophobicContact CB-CB 4.3Å; N220-F801 VanDerWaalsContact CB-O 3.3Å; N220-F801 WeakPolarHBondContact CB-O 3.25Å; N220-F801 PolarHBondContact O-N 2.96Å; I222-F801 HydrophobicContact CD1-CE2 3.48Å; I222-F801 VanDerWaalsContact CD1-CE2 3.48Å; I222-F801 HydrophobicContact CD1-CZ 3.87Å; I222-F801 HydrophobicContact CG1-CE2 3.9Å; W233-F801 AromaticContact CH2-CD1 3.88Å; W233-F801 HydrophobicContact CH2-CD1 3.88Å; W233-F801 AromaticContact CH2-CE1 3.64Å; W233-F801 HydrophobicContact CH2-CE1 3.64Å; W233-F801 HydrophobicContact CZ2-CD1 4.07Å; W233-F801 HydrophobicContact CZ2-CE1 4.04Å; L254-F801 HydrophobicContact CD2-CE1 3.78Å; L254-F801 HydrophobicContact CD2-CZ 3.66Å; C284-F801 HydrophobicContact CB-CE1 4.48Å; C284-F801 WeakPolarHBondContact SG-CE1 3.49Å; L296-F801 HydrophobicContact CD1-CB 4.4Å; L296-F801 HydrophobicContact CD1-CD1 4.24Å; L296-F801 HydrophobicContact CD1-CG 4.12Å; L296-F801 HydrophobicContact CD2-CB 3.85Å; L296-F801 HydrophobicContact CD2-CG 4.29Å; P298-F801 HydrophobicContact CB-CE2 4.49Å; P298-F801 HydrophobicContact CG-CD2 4.36Å; P298-F801 HydrophobicContact CG-CE2 3.95Å; P298-F801 HydrophobicContact CG-CZ 4.25Å; W789-F801 HydrophobicContact CE3-CB 4.08Å; W789-F801 HydrophobicContact CZ3-CB 3.92Å; I790-F801 WeakPolarHBondContact O-CA 3.17Å; A791-F801 HydrophobicContact CB-CD1 4.49Å; A791-F801 HydrophobicContact CB-CE1 4.39Å; I799-F801 HydrophobicContact CG2-CE2 4.12Å; I799-F801 HydrophobicContact CG2-CZ 4.16Å
802	I	94.9	Very high	91.1	Very high	12 Å²	12	12 Å²	12	6%	0.062	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	120.6	-179.8	-55	178.5	0	0	0	107.9	L629 C630 I790 V792 Q800 V804	L629-I802 HydrophobicContact CD1-CG2 4.42Å; C630-I802 HydrophobicContact CB-CD1 3.85Å; I790-I802 PolarHBondContact N-O 2.78Å; I790-I802 PolarHBondContact O-N 3.35Å; V792-I802 HydrophobicContact CG2-CD1 4.03Å; Q800-I802 HydrophobicContact CG-CG1 4.07Å; I802-V804 HydrophobicContact CG2-CG2 4.36Å
803	C	94	Very high	90.8	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	116.5	168.1	-168.8	0	0	0	0	109	E291 W789 E805	E291-C803 HydrophobicContact CG-CB 3.4Å; E291-C803 VanDerWaalsContact CG-CB 3.4Å; W789-C803 HydrophobicContact CD2-CB 3.94Å; W789-C803 HydrophobicContact CE3-CB 3.99Å; W789-C803 HydrophobicContact CH2-CB 3.78Å; W789-C803 HydrophobicContact CZ2-CB 3.7Å; W789-C803 HydrophobicContact CZ3-CB 3.9Å; C803-E805 VanDerWaalsContact C-N 3.29Å; C803-E805 HydrophobicContact CB-CG 4.41Å; C803-E805 PolarHBondContact O-N 3.4Å; C803-E805 VanDerWaalsContact O-N 3.13Å
804	V	90.8	Very high	90.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.087	C	C	.	.			trans	-89.7	70.5	178.7	-165.8	0	0	0	0	109.4	L629 T788 I790 I802 Q806 L807	L629-V804 HydrophobicContact CD1-CG1 4.47Å; L629-V804 HydrophobicContact CD1-CG2 3.55Å; L629-V804 HydrophobicContact CD2-CG1 3.8Å; L629-V804 HydrophobicContact CD2-CG2 4.12Å; T788-V804 PolarHBondContact O-N 3.43Å; I790-V804 HydrophobicContact CD1-CG2 3.51Å; I790-V804 HydrophobicContact CG1-CG2 3.93Å; I802-V804 HydrophobicContact CG2-CG2 4.36Å; V804-Q806 HydrophobicContact CG1-CB 4.34Å; V804-Q806 PolarHBondContact O-N 3.03Å; V804-Q806 VanDerWaalsContact O-N 3.1Å; V804-L807 HydrophobicContact CB-CD1 4.3Å; V804-L807 HydrophobicContact CB-CG 4.38Å; V804-L807 HydrophobicContact CG1-CB 4.47Å; V804-L807 HydrophobicContact CG1-CD1 3.99Å; V804-L807 HydrophobicContact CG1-CG 3.75Å; V804-L807 PolarHBondContact O-N 3.37Å
805	E	87.8	Confident	90.5	Very high	61 Å²	61	19.2 Å²	19.2	29%	0.285	10%	0.1	S	C	.	.	G	3₁₀ helix	trans	-59.4	-20.3	176.1	-59.6	-168	138.9	0	0	112.2	T290 E291 C803 L807 Y808	T290-E805 WeakPolarHBondContact CA-OE1 3.17Å; T290-E805 VanDerWaalsContact CB-OE1 3.3Å; T290-E805 WeakPolarHBondContact CB-OE1 3.4Å; E291-E805 PolarHBondContact N-OE1 3.25Å; C803-E805 VanDerWaalsContact C-N 3.29Å; C803-E805 HydrophobicContact CB-CG 4.41Å; C803-E805 PolarHBondContact O-N 3.4Å; C803-E805 VanDerWaalsContact O-N 3.13Å; E805-L807 PolarHBondContact O-N 3.5Å; E805-L807 VanDerWaalsContact O-N 3.12Å; E805-Y808 VanDerWaalsContact O-CB 3.3Å; E805-Y808 WeakPolarHBondContact O-CB 3.41Å; E805-Y808 PolarHBondContact O-N 2.96Å
806	Q	83.3	Confident	90.5	Very high	30 Å²	30	18.7 Å²	18.7	14%	0.14	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-65.1	-7.5	170.5	-56.2	85.8	-5.1	0	0	113.9	I627 V804 S825 Y827	I627-Q806 HydrophobicContact CD1-CB 3.69Å; I627-Q806 HydrophobicContact CG2-CB 4.21Å; I627-Q806 HydrophobicContact CG2-CG 4.16Å; V804-Q806 HydrophobicContact CG1-CB 4.34Å; V804-Q806 PolarHBondContact O-N 3.03Å; V804-Q806 VanDerWaalsContact O-N 3.1Å; Q806-S825 VanDerWaalsContact C-OG 3.24Å; Q806-S825 WeakPolarHBondContact CA-OG 3.42Å; Q806-S825 WeakPolarHBondContact O-CB 2.89Å; Q806-S825 PolarHBondContact O-OG 3.44Å; Q806-Y827 HydrophobicContact CB-CD2 3.72Å; Q806-Y827 HydrophobicContact CB-CE2 4.03Å; Q806-Y827 HydrophobicContact CG-CD2 3.98Å; Q806-Y827 HydrophobicContact CG-CE2 3.78Å
807	L	84.5	Confident	90.5	Very high	5 Å²	5	24 Å²	24	3%	0.026	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-103.7	-2.8	169.3	-61.7	179.1	0	0	0	113.2	L590 A592 V604 A606 I627 F780 V804 E805 F812	L590-L807 HydrophobicContact CB-CD1 4.36Å; L590-L807 HydrophobicContact CD1-CB 4.02Å; L590-L807 HydrophobicContact CD1-CD1 3.61Å; L590-L807 HydrophobicContact CD1-CG 4.48Å; A592-L807 HydrophobicContact CB-CD1 3.75Å; A592-L807 HydrophobicContact CB-CD2 4.41Å; V604-L807 HydrophobicContact CG1-CD1 3.99Å; V604-L807 HydrophobicContact CG1-CD2 4.24Å; V604-L807 HydrophobicContact CG1-CG 4.41Å; A606-L807 HydrophobicContact CB-CD2 3.41Å; A606-L807 VanDerWaalsContact CB-CD2 3.41Å; I627-L807 HydrophobicContact CD1-CD2 4.26Å; F780-L807 HydrophobicContact CE1-CD1 4.26Å; F780-L807 HydrophobicContact CZ-CD1 4.45Å; V804-L807 HydrophobicContact CB-CD1 4.3Å; V804-L807 HydrophobicContact CB-CG 4.38Å; V804-L807 HydrophobicContact CG1-CB 4.47Å; V804-L807 HydrophobicContact CG1-CD1 3.99Å; V804-L807 HydrophobicContact CG1-CG 3.75Å; V804-L807 PolarHBondContact O-N 3.37Å; E805-L807 PolarHBondContact O-N 3.5Å; E805-L807 VanDerWaalsContact O-N 3.12Å; L807-F812 VanDerWaalsContact O-CE2 3.3Å; L807-F812 WeakPolarHBondContact O-CE2 3.43Å
808	Y	88.6	Confident	90.4	Very high	3 Å²	3	26.5 Å²	26.5	1%	0.012	13%	0.134	C	C	.	.			trans	-72.9	140.1	-176.1	171	-92.2	0	0	0	112.9	L289 T290 E805 Q810 D813 T821 G822 K823 S825 L828	L289-Y808 HydrophobicContact CB-CD2 3.77Å; L289-Y808 HydrophobicContact CB-CE2 4.03Å; L289-Y808 HydrophobicContact CD1-CD2 4.44Å; L289-Y808 HydrophobicContact CD1-CE2 4.34Å; T290-Y808 HydrophobicContact CG2-CD1 4.43Å; T290-Y808 HydrophobicContact CG2-CD2 3.83Å; T290-Y808 HydrophobicContact CG2-CE2 4.01Å; T290-Y808 HydrophobicContact CG2-CG 4.04Å; E805-Y808 VanDerWaalsContact O-CB 3.3Å; E805-Y808 WeakPolarHBondContact O-CB 3.41Å; E805-Y808 PolarHBondContact O-N 2.96Å; Y808-Q810 HydrophobicContact CE1-CG 3.93Å; Y808-D813 WeakPolarHBondContact CE2-OD2 3.41Å; Y808-D813 PolarHBondContact OH-OD2 3.45Å; Y808-D813 VanDerWaalsContact OH-OD2 3.05Å; Y808-T821 PolarHBondContact OH-N 2.59Å; Y808-T821 VanDerWaalsContact OH-N 3.11Å; Y808-G822 VanDerWaalsContact CE1-C 3.45Å; Y808-G822 WeakPolarHBondContact CE1-O 3.31Å; Y808-G822 PolarHBondContact OH-N 2.9Å; Y808-G822 VanDerWaalsContact OH-N 3.14Å; Y808-G822 PolarHBondContact OH-O 3.47Å; Y808-K823 VanDerWaalsContact CD1-O 3.27Å; Y808-K823 WeakPolarHBondContact CD1-O 3.22Å; Y808-S825 WeakPolarHBondContact O-CB 3.46Å; Y808-S825 PolarHBondContact O-N 3.27Å; Y808-L828 WeakPolarHBondContact O-CD1 3.37Å
809	C	88	Confident	90.2	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.007	17%	0.173	C	C	.	.			trans	-132.3	137.9	168.9	-176.1	0	0	0	0	110	S811 F812 D824 L828	C809-S811 PolarHBondContact O-N 2.75Å; C809-F812 HydrophobicContact CB-CD1 4.14Å; C809-F812 HydrophobicContact CB-CD2 4.16Å; C809-F812 HydrophobicContact CB-CE1 3.95Å; C809-F812 HydrophobicContact CB-CE2 3.99Å; C809-F812 HydrophobicContact CB-CG 4.24Å; C809-F812 HydrophobicContact CB-CZ 3.88Å; C809-F812 VanDerWaalsContact O-CB 3.31Å; C809-F812 WeakPolarHBondContact O-CB 3.41Å; C809-F812 WeakPolarHBondContact O-CG 3.28Å; C809-F812 PolarHBondContact O-N 2.85Å; C809-D824 WeakPolarHBondContact CA-OD1 3.43Å; C809-D824 PolarHBondContact SG-OD1 2.95Å; C809-L828 HydrophobicContact CB-CD1 3.75Å
810	Q	91	Very high	89.9	Confident	72 Å²	72	38 Å²	38	34%	0.336	19%	0.19	S	C	.	.	H	α-helix	trans	-58.3	-30.1	177.9	-64.7	-172.7	-28.1	0	0	112.7	Y808 F812 D813 I814 P820 G822 D824	Y808-Q810 HydrophobicContact CE1-CG 3.93Å; Q810-F812 PolarHBondContact O-N 3.02Å; Q810-D813 PolarHBondContact O-N 3.13Å; Q810-I814 WeakPolarHBondContact O-CG1 3.2Å; Q810-I814 PolarHBondContact O-N 2.93Å; Q810-P820 HydrophobicContact CB-CB 3.93Å; Q810-P820 HydrophobicContact CB-CG 4.06Å; Q810-P820 HydrophobicContact CG-CB 3.93Å; Q810-G822 WeakPolarHBondContact CG-O 3.21Å; Q810-G822 PolarHBondContact NE2-O 3Å; Q810-D824 PolarHBondContact N-OD1 3.36Å
811	S	89.5	Confident	89.6	Confident	45 Å²	45	40.5 Å²	40.5	32%	0.315	21%	0.206	S	C	.	.	H	α-helix	trans	-61.4	-22.8	174.5	-56.7	0	0	0	0	113.4	C809 I814 L815	C809-S811 PolarHBondContact O-N 2.75Å; S811-I814 PolarHBondContact O-N 2.86Å; S811-L815 WeakPolarHBondContact O-CB 3.24Å; S811-L815 WeakPolarHBondContact O-CG 3.24Å; S811-L815 PolarHBondContact O-N 3.38Å
812	F	90.7	Very high	89.2	Confident	1 Å²	1	41.5 Å²	41.5	0%	0.004	22%	0.217	C	C	.	.	H	α-helix	trans	-68.8	-47.5	176.1	-57.9	-20.1	0	0	0	111.6	A132 F136 L289 L590 L807 C809 Q810 I814 L815 L816	A132-F812 HydrophobicContact CB-CE1 4.22Å; A132-F812 HydrophobicContact CB-CZ 4.04Å; F136-F812 HydrophobicContact CB-CD1 3.71Å; F136-F812 HydrophobicContact CB-CE1 3.65Å; F136-F812 HydrophobicContact CD1-CB 4.18Å; F136-F812 AromaticContact CD1-CD1 3.9Å; F136-F812 HydrophobicContact CD1-CD1 3.9Å; F136-F812 HydrophobicContact CD1-CG 4.23Å; F136-F812 HydrophobicContact CD2-CB 4.48Å; F136-F812 AromaticContact CD2-CD1 3.89Å; F136-F812 HydrophobicContact CD2-CD1 3.89Å; F136-F812 HydrophobicContact CD2-CD2 4.31Å; F136-F812 HydrophobicContact CD2-CE1 4.14Å; F136-F812 AromaticContact CD2-CG 3.99Å; F136-F812 HydrophobicContact CD2-CG 3.99Å; F136-F812 HydrophobicContact CD2-CZ 4.44Å; F136-F812 HydrophobicContact CE1-CB 3.93Å; F136-F812 HydrophobicContact CE1-CD1 4.49Å; F136-F812 HydrophobicContact CE1-CG 4.38Å; F136-F812 HydrophobicContact CE2-CB 4.28Å; F136-F812 HydrophobicContact CE2-CD2 4.4Å; F136-F812 HydrophobicContact CE2-CG 4.17Å; F136-F812 HydrophobicContact CG-CB 4.45Å; F136-F812 AromaticContact CG-CD1 3.56Å; F136-F812 HydrophobicContact CG-CD1 3.56Å; F136-F812 AromaticContact CG-CE1 3.93Å; F136-F812 HydrophobicContact CG-CE1 3.93Å; F136-F812 HydrophobicContact CG-CG 4.03Å; F136-F812 HydrophobicContact CZ-CB 3.99Å; F136-F812 HydrophobicContact CZ-CG 4.36Å; L289-F812 HydrophobicContact CD1-CB 3.5Å; L289-F812 VanDerWaalsContact CD1-CB 3.5Å; L289-F812 HydrophobicContact CD1-CD2 4.36Å; L289-F812 HydrophobicContact CD1-CG 4.46Å; L590-F812 HydrophobicContact CD2-CD2 4.4Å; L590-F812 HydrophobicContact CD2-CE2 3.61Å; L590-F812 HydrophobicContact CD2-CZ 4.04Å; L807-F812 VanDerWaalsContact O-CE2 3.3Å; L807-F812 WeakPolarHBondContact O-CE2 3.43Å; C809-F812 HydrophobicContact CB-CD1 4.14Å; C809-F812 HydrophobicContact CB-CD2 4.16Å; C809-F812 HydrophobicContact CB-CE1 3.95Å; C809-F812 HydrophobicContact CB-CE2 3.99Å; C809-F812 HydrophobicContact CB-CG 4.24Å; C809-F812 HydrophobicContact CB-CZ 3.88Å; C809-F812 VanDerWaalsContact O-CB 3.31Å; C809-F812 WeakPolarHBondContact O-CB 3.41Å; C809-F812 WeakPolarHBondContact O-CG 3.28Å; C809-F812 PolarHBondContact O-N 2.85Å; Q810-F812 PolarHBondContact O-N 3.02Å; F812-I814 VanDerWaalsContact C-N 3.27Å; F812-I814 PolarHBondContact O-N 3.29Å; F812-L815 PolarHBondContact O-N 3.42Å; F812-L816 VanDerWaalsContact O-CG 3.32Å; F812-L816 WeakPolarHBondContact O-CG 3.43Å; F812-L816 PolarHBondContact O-N 2.79Å
813	D	91.1	Very high	88.8	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.016	25%	0.252	C	S	.	.	H	α-helix	trans	-60.5	-39.6	174.6	-85.8	-36.5	0	0	0	110.8	Y808 Q810 L816 N817 R818 P820 T821	Y808-D813 WeakPolarHBondContact CE2-OD2 3.41Å; Y808-D813 PolarHBondContact OH-OD2 3.45Å; Y808-D813 VanDerWaalsContact OH-OD2 3.05Å; Q810-D813 PolarHBondContact O-N 3.13Å; D813-L816 CarbonylContact O-C 3.54Å; D813-L816 PolarHBondContact O-N 3.19Å; D813-L816 VanDerWaalsContact O-N 3.14Å; D813-N817 PolarHBondContact O-N 3.28Å; D813-R818 CarbonylContact C-O 3.6Å; D813-R818 HydrophobicContact CB-CB 4.22Å; D813-R818 WeakPolarHBondContact O-CA 3.41Å; D813-R818 WeakPolarHBondContact O-CB 3.39Å; D813-R818 PolarHBondContact O-N 3.41Å; D813-P820 WeakPolarHBondContact OD2-CA 3.43Å; D813-T821 PolarHBondContact OD2-N 2.93Å; D813-T821 PolarHBondContact OD2-OG1 3.03Å
814	I	90.6	Very high	88.1	Confident	98 Å²	98	51.8 Å²	51.8	50%	0.503	26%	0.263	S	S	.	.	H	α-helix	trans	-61.9	-45.1	175	-62.5	169.9	0	0	0	111.3	Q810 S811 F812 L816 N817 P820	Q810-I814 WeakPolarHBondContact O-CG1 3.2Å; Q810-I814 PolarHBondContact O-N 2.93Å; S811-I814 PolarHBondContact O-N 2.86Å; F812-I814 VanDerWaalsContact C-N 3.27Å; F812-I814 PolarHBondContact O-N 3.29Å; I814-L816 PolarHBondContact O-N 2.8Å; I814-N817 WeakPolarHBondContact O-CA 3.45Å; I814-N817 PolarHBondContact O-N 3.45Å; I814-N817 PolarHBondContact O-OD1 3.19Å; I814-P820 HydrophobicContact CD1-CG 4.42Å; I814-P820 HydrophobicContact CG1-CG 4.17Å
815	L	88.6	Confident	87.4	Confident	54 Å²	54	52.3 Å²	52.3	28%	0.283	27%	0.266	S	S	.	.	H	α-helix	trans	-67.2	-20.2	176.1	-71.6	169.1	0	0	0	113.4	P133 F136 L137 L140 S811 F812 N817	P133-L815 HydrophobicContact CB-CD1 4.22Å; P133-L815 WeakPolarHBondContact O-CD1 3.42Å; F136-L815 HydrophobicContact CD1-CB 4.29Å; F136-L815 HydrophobicContact CD1-CD1 4.04Å; F136-L815 HydrophobicContact CE1-CB 4.45Å; L137-L815 HydrophobicContact CB-CD1 4.13Å; L137-L815 HydrophobicContact CB-CD2 4.37Å; L137-L815 HydrophobicContact CD1-CD2 4.27Å; L137-L815 HydrophobicContact CD2-CD2 4.37Å; L140-L815 HydrophobicContact CD1-CB 4.22Å; S811-L815 WeakPolarHBondContact O-CB 3.24Å; S811-L815 WeakPolarHBondContact O-CG 3.24Å; S811-L815 PolarHBondContact O-N 3.38Å; F812-L815 PolarHBondContact O-N 3.42Å; L815-N817 VanDerWaalsContact C-N 3.31Å
816	L	87.9	Confident	86.5	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	4.4	170.3	-63.5	174.4	0	0	0	113.2	F136 L140 I247 L289 T785 F812 D813 I814 R818	F136-L816 HydrophobicContact CE1-CD1 4.45Å; F136-L816 HydrophobicContact CE1-CD2 4.1Å; F136-L816 HydrophobicContact CE1-CG 4.01Å; F136-L816 HydrophobicContact CZ-CD1 4.17Å; F136-L816 HydrophobicContact CZ-CD2 4.23Å; F136-L816 HydrophobicContact CZ-CG 4.19Å; L140-L816 HydrophobicContact CD1-CD2 4.2Å; L140-L816 HydrophobicContact CD2-CD2 3.89Å; I247-L816 HydrophobicContact CD1-CB 4.49Å; I247-L816 HydrophobicContact CD1-CD2 3.59Å; L289-L816 HydrophobicContact CD1-CD1 3.96Å; L289-L816 HydrophobicContact CG-CD1 4.49Å; T785-L816 HydrophobicContact CG2-CD1 4.43Å; T785-L816 HydrophobicContact CG2-CD2 4.39Å; F812-L816 VanDerWaalsContact O-CG 3.32Å; F812-L816 WeakPolarHBondContact O-CG 3.43Å; F812-L816 PolarHBondContact O-N 2.79Å; D813-L816 CarbonylContact O-C 3.54Å; D813-L816 PolarHBondContact O-N 3.19Å; D813-L816 VanDerWaalsContact O-N 3.14Å; I814-L816 PolarHBondContact O-N 2.8Å; L816-R818 HydrophobicContact CB-CG 4.22Å
817	N	88.2	Confident	85.6	Confident	112 Å²	112	58.1 Å²	58.1	60%	0.599	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	48.5	-173.4	-66.7	-30.8	0	0	0	113.5	E245 D813 I814 L815	E245-N817 PolarHBondContact O-ND2 3.16Å; D813-N817 PolarHBondContact O-N 3.28Å; I814-N817 WeakPolarHBondContact O-CA 3.45Å; I814-N817 PolarHBondContact O-N 3.45Å; I814-N817 PolarHBondContact O-OD1 3.19Å; L815-N817 VanDerWaalsContact C-N 3.31Å
818	R	87.1	Confident	84.6	Confident	52 Å²	52	58.2 Å²	58.2	20%	0.196	29%	0.294	C	S	.	.	S	Bend	trans	-129.5	162.2	-178.1	-62	166.4	-173.3	-165.4	-7.3	111.6	I247 N249 D813 L816	I247-R818 PolarHBondContact O-NH2 2.75Å; N249-R818 PolarHBondContact OD1-NH1 3.43Å; N249-R818 PolarHBondContact OD1-NH2 2.96Å; D813-R818 CarbonylContact C-O 3.6Å; D813-R818 HydrophobicContact CB-CB 4.22Å; D813-R818 WeakPolarHBondContact O-CA 3.41Å; D813-R818 WeakPolarHBondContact O-CB 3.39Å; D813-R818 PolarHBondContact O-N 3.41Å; L816-R818 HydrophobicContact CB-CG 4.22Å
819	K	89	Confident	83.1	Confident	187 Å²	187	61 Å²	61	81%	0.813	31%	0.311	S	S	*	.			trans	-75.1	134.5	168.8	-67	-175.1	179.1	-179	0	109.2	T821	K819-T821 PolarHBondContact O-N 3.24Å
820	P	91.4	Very high	81.2	Confident	57 Å²	57	64.5 Å²	64.5	37%	0.37	34%	0.336	S	S	.	.			trans	-54.3	131.2	175.9	-28.6	36.1	0	0	0	113.1	Q810 D813 I814	Q810-P820 HydrophobicContact CB-CB 3.93Å; Q810-P820 HydrophobicContact CB-CG 4.06Å; Q810-P820 HydrophobicContact CG-CB 3.93Å; D813-P820 WeakPolarHBondContact OD2-CA 3.43Å; I814-P820 HydrophobicContact CD1-CG 4.42Å; I814-P820 HydrophobicContact CG1-CG 4.17Å
821	T	87.9	Confident	79.1	Confident	55 Å²	55	68.8 Å²	68.8	34%	0.337	35%	0.353	S	S	.	.			trans	-96.2	-18.5	-175.1	56.3	0	0	0	0	113.9	T290 Y808 D813 K819	T290-T821 WeakPolarHBondContact OG1-CB 3.47Å; T290-T821 PolarHBondContact OG1-OG1 2.91Å; Y808-T821 PolarHBondContact OH-N 2.59Å; Y808-T821 VanDerWaalsContact OH-N 3.11Å; D813-T821 PolarHBondContact OD2-N 2.93Å; D813-T821 PolarHBondContact OD2-OG1 3.03Å; K819-T821 PolarHBondContact O-N 3.24Å
822	G	87.5	Confident	76.3	Confident	24 Å²	24	72.2 Å²	72.2	25%	0.247	38%	0.377	C	S	.	.	S	Bend	trans	-139.7	-171.2	178.1	0	0	0	0	0	113.9	Y808 Q810	Y808-G822 VanDerWaalsContact CE1-C 3.45Å; Y808-G822 WeakPolarHBondContact CE1-O 3.31Å; Y808-G822 PolarHBondContact OH-N 2.9Å; Y808-G822 VanDerWaalsContact OH-N 3.14Å; Y808-G822 PolarHBondContact OH-O 3.47Å; Q810-G822 WeakPolarHBondContact CG-O 3.21Å; Q810-G822 PolarHBondContact NE2-O 3Å
823	K	86.5	Confident	73.9	Confident	185 Å²	185	79.1 Å²	79.1	80%	0.804	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-96.2	148.1	171.1	-65.8	179.4	-178.5	175.4	0	110.1	Y808 S825	Y808-K823 VanDerWaalsContact CD1-O 3.27Å; Y808-K823 WeakPolarHBondContact CD1-O 3.22Å; K823-S825 PolarHBondContact O-N 3Å
824	D	81.1	Confident	70.8	Confident	43 Å²	43	86.5 Å²	86.5	23%	0.23	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-53.8	138.3	174.2	-75	-33.5	0	0	0	112	K129 C809 Q810	K129-D824 WeakPolarHBondContact CE-OD2 3.25Å; K129-D824 IonicContact NZ-OD2 2.79Å; K129-D824 PolarHBondContact NZ-OD2 2.79Å; C809-D824 WeakPolarHBondContact CA-OD1 3.43Å; C809-D824 PolarHBondContact SG-OD1 2.95Å; Q810-D824 PolarHBondContact N-OD1 3.36Å
825	S	75.9	Confident	67.7	Low	10 Å²	10	87.9 Å²	87.9	7%	0.07	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-64	138.4	175.7	174.3	0	0	0	0	113.3	Q806 Y808 K823 Y827 L828	Q806-S825 VanDerWaalsContact C-OG 3.24Å; Q806-S825 WeakPolarHBondContact CA-OG 3.42Å; Q806-S825 WeakPolarHBondContact O-CB 2.89Å; Q806-S825 PolarHBondContact O-OG 3.44Å; Y808-S825 WeakPolarHBondContact O-CB 3.46Å; Y808-S825 PolarHBondContact O-N 3.27Å; K823-S825 PolarHBondContact O-N 3Å; S825-Y827 PolarHBondContact O-N 2.97Å; S825-Y827 PolarHBondContact OG-N 3.36Å; S825-L828 PolarHBondContact O-N 3.4Å; S825-L828 VanDerWaalsContact O-N 3.09Å
826	I	67.9	Low	64.7	Low	130 Å²	130	91.5 Å²	91.5	67%	0.667	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-21.3	171.9	-55.6	170.8	0	0	0	111.6	L828 T829	I826-L828 VanDerWaalsContact C-N 3.3Å; I826-T829 PolarHBondContact O-OG1 3.44Å; I826-T829 VanDerWaalsContact O-OG1 3.05Å
827	Y	63.7	Low	61.8	Low	84 Å²	84	97.6 Å²	97.6	33%	0.329	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-15.5	175.4	-66.5	-89.7	0	0	0	112.9	I627 Q806 S825	I627-Y827 HydrophobicContact CD1-CD1 4.03Å; I627-Y827 HydrophobicContact CD1-CD2 4.18Å; I627-Y827 HydrophobicContact CD1-CE1 4.45Å; I627-Y827 HydrophobicContact CD1-CG 3.87Å; I627-Y827 HydrophobicContact CG1-CD1 3.89Å; I627-Y827 HydrophobicContact CG1-CE1 3.96Å; I627-Y827 HydrophobicContact CG1-CG 4.25Å; Q806-Y827 HydrophobicContact CB-CD2 3.72Å; Q806-Y827 HydrophobicContact CB-CE2 4.03Å; Q806-Y827 HydrophobicContact CG-CD2 3.98Å; Q806-Y827 HydrophobicContact CG-CE2 3.78Å; S825-Y827 PolarHBondContact O-N 2.97Å; S825-Y827 PolarHBondContact OG-N 3.36Å
828	L	63.9	Low	58.8	Low	6 Å²	6	95.2 Å²	95.2	3%	0.031	51%	0.514	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-15.8	174.9	-63.8	178.3	0	0	0	112.9	K129 A132 Y808 C809 S825 I826	K129-L828 WeakPolarHBondContact CB-O 3.44Å; K129-L828 PolarHBondContact N-O 2.82Å; A132-L828 HydrophobicContact CB-CD2 4.19Å; Y808-L828 WeakPolarHBondContact O-CD1 3.37Å; C809-L828 HydrophobicContact CB-CD1 3.75Å; S825-L828 PolarHBondContact O-N 3.4Å; S825-L828 VanDerWaalsContact O-N 3.09Å; I826-L828 VanDerWaalsContact C-N 3.3Å
829	T	57.2	Low	55.7	Low	62 Å²	62	103.7 Å²	103.7	38%	0.38	55%	0.546	S	S	.	.	S	Bend	trans	-83.9	117.9	177.5	42.1	0	0	0	0	111.5	K129 I826 K831	K129-T829 HydrophobicContact CD-CG2 4.21Å; I826-T829 PolarHBondContact O-OG1 3.44Å; I826-T829 VanDerWaalsContact O-OG1 3.05Å; T829-K831 PolarHBondContact O-N 2.89Å
830	S	48.9	Very low	52.7	Low	74 Å²	74	98.4 Å²	98.4	52%	0.517	53%	0.531	S	S	.	.			trans	-49	108.6	171.7	154.8	0	0	0	0	112.2	D127 S832	D127-S830 VanDerWaalsContact OD1-CB 3.28Å; D127-S830 WeakPolarHBondContact OD1-CB 3.49Å; S830-S832 PolarHBondContact O-N 3.27Å
831	K	46.4	Very low	49.6	Very low	163 Å²	163	102.3 Å²	102.3	71%	0.709	55%	0.553	S	S	*	*			trans	-71.7	109	163.3	-75.3	-174.7	178.3	178.2	0	109.3	T829 Q833	T829-K831 PolarHBondContact O-N 2.89Å; K831-Q833 PolarHBondContact O-N 3.31Å; K831-Q833 VanDerWaalsContact O-N 3.08Å
832	S	30.9	Very low	46.6	Very low	117 Å²	117	106 Å²	106	82%	0.818	57%	0.571	S	S	*	*			trans	-68.4	99.5	166.7	38.6	0	0	0	0	109.4	S830	S830-S832 PolarHBondContact O-N 3.27Å
833	Q	39.6	Very low	43.7	Very low	145 Å²	145	110.5 Å²	110.5	68%	0.678	60%	0.599	S	S	*	*			trans	-129.3	126	170.4	-73.6	-164.5	-25.6	0	0	111.4	K831 I835	K831-Q833 PolarHBondContact O-N 3.31Å; K831-Q833 VanDerWaalsContact O-N 3.08Å; Q833-I835 PolarHBondContact O-N 3Å
834	D	26.8	Very low	41	Very low	159 Å²	159	108.3 Å²	108.3	85%	0.85	60%	0.595	S	S	*	*			trans	-61.8	102.4	166.9	-77	-51.8	0	0	0	109.2	V836	D834-V836 PolarHBondContact O-N 3.18Å
835	I	26.3	Very low	38.5	Very low	126 Å²	126	113.7 Å²	113.7	65%	0.646	62%	0.624	S	S	*	*			trans	-69.8	86.7	171	-54.7	178.2	0	0	0	107.7	Q833 L837	Q833-I835 PolarHBondContact O-N 3Å; I835-L837 HydrophobicContact CG2-CD2 3.75Å; I835-L837 HydrophobicContact CG2-CG 4.01Å; I835-L837 PolarHBondContact O-N 2.84Å
836	V	25.3	Very low	36.3	Very low	130 Å²	130	123.9 Å²	123.9	79%	0.788	66%	0.661	S	S	*	*			trans	-64.4	90.2	164.6	-179	0	0	0	0	107.1	D834 G838	D834-V836 PolarHBondContact O-N 3.18Å; V836-G838 VanDerWaalsContact C-N 3.27Å; V836-G838 PolarHBondContact O-N 3.01Å
837	L	26.1	Very low	34.5	Very low	128 Å²	128	125.1 Å²	125.1	67%	0.67	67%	0.669	S	S	*	*			trans	-63.9	90.3	173.7	-71.7	173.1	0	0	0	108.8	I835 R839	I835-L837 HydrophobicContact CG2-CD2 3.75Å; I835-L837 HydrophobicContact CG2-CG 4.01Å; I835-L837 PolarHBondContact O-N 2.84Å; L837-R839 PolarHBondContact O-N 3.12Å
838	G	25	Very low	33.1	Very low	62 Å²	62	126.1 Å²	126.1	64%	0.639	69%	0.688	S	S	*	*			trans	-50.6	114.8	170.9	0	0	0	0	0	109.5	V836	V836-G838 VanDerWaalsContact C-N 3.27Å; V836-G838 PolarHBondContact O-N 3.01Å
839	R	22.7	Very low	31.5	Very low	231 Å²	231	132.5 Å²	132.5	87%	0.872	73%	0.727	S	S	*	*			trans	-55.8	130.4	177.2	-78	-178.9	172.4	177.1	-1.7	108.3	L837 V841	L837-R839 PolarHBondContact O-N 3.12Å; R839-V841 PolarHBondContact O-N 3.11Å
840	P	25.3	Very low	30.4	Very low	76 Å²	76	139 Å²	139	49%	0.494	75%	0.75	S	S	.	*			trans	-61	129.3	173.3	25.8	-32.2	0	0	0	109	N842	P840-N842 PolarHBondContact O-N 3.38Å; P840-N842 VanDerWaalsContact O-N 3.07Å
841	V	26.2	Very low	29.4	Very low	138 Å²	138	146.4 Å²	146.4	84%	0.836	77%	0.767	S	S	*	*			trans	-64.3	110.6	170.7	178.5	0	0	0	0	107.2	R839 S843	R839-V841 PolarHBondContact O-N 3.11Å; V841-S843 PolarHBondContact O-N 2.62Å
842	N	26.3	Very low	28.7	Very low	132 Å²	132	145.1 Å²	145.1	71%	0.706	77%	0.768	S	S	*	*			trans	-65.6	97.3	177.7	-85.9	-24.6	0	0	0	110.2	P840 L844	P840-N842 PolarHBondContact O-N 3.38Å; P840-N842 VanDerWaalsContact O-N 3.07Å; N842-L844 PolarHBondContact O-N 3.28Å
843	S	26.7	Very low	28.9	Very low	120 Å²	120	148.3 Å²	148.3	84%	0.839	77%	0.769	S	S	*	*			trans	-74	48.6	164.2	49.9	0	0	0	0	111.7	V841	V841-S843 PolarHBondContact O-N 2.62Å
844	L	27.9	Very low	28.3	Very low	138 Å²	138	153 Å²	153	72%	0.723	78%	0.781	S	S	*	*			trans	-109.5	44.9	176.9	-93.7	168.7	0	0	0	111.8	N842 R846	N842-L844 PolarHBondContact O-N 3.28Å; L844-R846 PolarHBondContact O-N 3.31Å; L844-R846 VanDerWaalsContact O-N 3.17Å
845	N	29.6	Very low	28.5	Very low	157 Å²	157	155.3 Å²	155.3	84%	0.84	78%	0.783	S	S	*	*			trans	-79.9	92.7	158.8	-113.9	-10.4	0	0	0	108.6	N847	N845-N847 PolarHBondContact O-N 3.45Å
846	R	30.1	Very low	28.5	Very low	223 Å²	223	155.5 Å²	155.5	84%	0.842	79%	0.79	S	S	*	*			trans	-56.4	108.8	165.8	-85.4	175.7	160.3	170.8	-5.9	108.7	L844 S848	L844-R846 PolarHBondContact O-N 3.31Å; L844-R846 VanDerWaalsContact O-N 3.17Å; R846-S848 PolarHBondContact O-N 3.11Å
847	N	29.2	Very low	28.6	Very low	157 Å²	157	159.5 Å²	159.5	84%	0.84	79%	0.791	S	S	*	*			trans	-66.6	85.8	164.1	-81.4	-20.3	0	0	0	109.5	N845 V849	N845-N847 PolarHBondContact O-N 3.45Å; N847-V849 PolarHBondContact O-N 3.2Å; N847-V849 VanDerWaalsContact O-N 3.12Å
848	S	34.3	Very low	28.5	Very low	105 Å²	105	158.5 Å²	158.5	73%	0.734	79%	0.791	S	S	*	*			trans	-68.6	105.2	168.1	57.8	0	0	0	0	108.9	R846 K850	R846-S848 PolarHBondContact O-N 3.11Å; S848-K850 PolarHBondContact O-N 3.15Å
849	V	30.1	Very low	28.6	Very low	140 Å²	140	160.6 Å²	160.6	85%	0.848	80%	0.796	S	S	*	*			trans	-58.6	108.9	174.9	177.4	0	0	0	0	109.8	N847	N847-V849 PolarHBondContact O-N 3.2Å; N847-V849 VanDerWaalsContact O-N 3.12Å
850	K	34.1	Very low	28.7	Very low	198 Å²	198	154.2 Å²	154.2	86%	0.861	79%	0.786	S	S	*	*			trans	-130	123.8	157.4	-85.9	-169.2	175.1	-179.6	0	110	S848	S848-K850 PolarHBondContact O-N 3.15Å
851	R	28	Very low	28.8	Very low	230 Å²	230	157.1 Å²	157.1	87%	0.868	80%	0.798	S	S	*	*			trans	-55.6	135.9	170.6	-67	165.8	159.8	152	-9	110
852	N	33	Very low	28.7	Very low	136 Å²	136	158 Å²	158	73%	0.727	80%	0.796	S	S	*	*				-174.6	135.1	106.4	-95.2	-18.8	0	0	0	115.5
853	Q	34	Very low	28.9	Very low	183 Å²	183	156.9 Å²	156.9	86%	0.855	80%	0.799	S	S	*	*			trans	66.6	137.9	144.7	-62.4	-173.3	1.1	0	0	122.5
854	R	26.6	Very low	28.9	Very low	244 Å²	244	157 Å²	157	92%	0.921	79%	0.794	S	S	*	*			trans	-74.5	146.6	177.7	-63	163	162.1	162	-9	112.1
855	K	31.6	Very low	28.9	Very low	208 Å²	208	160.3 Å²	160.3	90%	0.904	80%	0.803	S	S	*	*				-166.7	173.1	122.5	-108.3	172.4	-176.9	-178.4	0	111.6
856	T	26.3	Very low	28.9	Very low	129 Å²	129	161.6 Å²	161.6	79%	0.791	80%	0.804	S	S	*	*			trans	-119.7	159.7	-148.6	-19.6	0	0	0	0	114
857	R	26.6	Very low	28.7	Very low	214 Å²	214	156.1 Å²	156.1	81%	0.808	80%	0.8	S	S	*	*			trans	84.9	112.9	151.4	-81.3	-175.7	70.8	160.8	1.6	121.7
858	T	25.3	Very low	28.6	Very low	108 Å²	108	155.1 Å²	155.1	66%	0.663	80%	0.799	S	S	*	*				77.4	127.5	128.2	50.4	0	0	0	0	124.1
859	S	26.4	Very low	28.2	Very low	106 Å²	106	158.2 Å²	158.2	74%	0.741	80%	0.802	S	S	*	*			trans	88.5	123.5	141.5	43.5	0	0	0	0	123.2
860	S	25	Very low	28	Very low	96 Å²	96	159.9 Å²	159.9	67%	0.671	80%	0.803	S	S	*	*			trans	60.6	106.6	146.7	61.3	0	0	0	0	120.8
861	N	27.1	Very low	27.6	Very low	138 Å²	138	158.6 Å²	158.6	74%	0.738	80%	0.797	S	S	*	*				-179	143.5	90.1	-94.6	-28.3	0	0	0	114.8
862	I	25.2	Very low	27.7	Very low	156 Å²	156	153 Å²	153	80%	0.8	79%	0.794	S	S	*	*			trans	36.4	110.5	137.4	-50.6	164.8	0	0	0	118.2
863	S	29.9	Very low	27.4	Very low	108 Å²	108	152.7 Å²	152.7	76%	0.755	79%	0.792	S	S	*	*			trans	-164	124.2	133.6	-173.1	0	0	0	0	112.6
864	T	26.4	Very low	27.1	Very low	122 Å²	122	151.6 Å²	151.6	75%	0.748	79%	0.792	S	S	*	*			trans	-31.5	126.6	164.3	43	0	0	0	0	116.7
865	K	29.1	Very low	27.2	Very low	209 Å²	209	147.4 Å²	147.4	91%	0.909	79%	0.788	S	S	*	*			trans	-88	113.5	150.9	-80.5	-174.4	175.9	179.9	0	108.8	S867	K865-S867 PolarHBondContact O-N 3.43Å
866	Q	28.3	Very low	27.1	Very low	183 Å²	183	147.1 Å²	147.1	86%	0.855	79%	0.789	S	S	*	*			trans	-69.1	125	166.8	-74.9	174.3	-36.5	0	0	109.5
867	S	27	Very low	27.2	Very low	109 Å²	109	148.4 Å²	148.4	76%	0.762	79%	0.789	S	S	*	*			trans	-72	130.6	159.9	38.2	0	0	0	0	109	K865 Q869	K865-S867 PolarHBondContact O-N 3.43Å; S867-Q869 PolarHBondContact O-N 3.49Å
868	V	26.2	Very low	27.2	Very low	136 Å²	136	141.7 Å²	141.7	82%	0.824	79%	0.786	S	S	*	*			trans	-82.8	93.9	168.2	177.7	0	0	0	0	107.2	M870	V868-M870 PolarHBondContact O-N 3.13Å
869	Q	26.8	Very low	27.4	Very low	169 Å²	169	141.7 Å²	141.7	79%	0.79	79%	0.785	S	S	*	*			trans	-75.3	113.8	172.2	-170.6	174.5	11.5	0	0	108.5	S867 K871	S867-Q869 PolarHBondContact O-N 3.49Å; Q869-K871 PolarHBondContact O-N 3.45Å
870	M	25.1	Very low	27.3	Very low	175 Å²	175	142.3 Å²	142.3	86%	0.862	78%	0.784	S	S	*	*			trans	-73.5	116.2	167.2	-64.3	-158.7	79.7	0	0	108	V868 S872	V868-M870 PolarHBondContact O-N 3.13Å; M870-S872 PolarHBondContact O-N 3.46Å
871	K	25.9	Very low	27.7	Very low	171 Å²	171	143 Å²	143	74%	0.743	79%	0.787	S	S	*	*			trans	-70.9	122.1	165.4	-77.6	-173	167.6	-163.5	0	109	Q869	Q869-K871 PolarHBondContact O-N 3.45Å
872	S	29.8	Very low	27.7	Very low	114 Å²	114	145.8 Å²	145.8	80%	0.797	79%	0.792	S	S	*	*			trans	-85.6	93.9	154.3	50.6	0	0	0	0	107.8	M870 N874	M870-S872 PolarHBondContact O-N 3.46Å; S872-N874 PolarHBondContact O-N 3.19Å
873	D	26.7	Very low	27.8	Very low	129 Å²	129	147.2 Å²	147.2	69%	0.69	80%	0.798	S	S	*	*			trans	-75.8	101.1	166.2	-66.3	-35.1	0	0	0	107.3
874	N	28.6	Very low	27.7	Very low	159 Å²	159	149 Å²	149	85%	0.85	80%	0.798	S	S	*	*			trans	-164	53	168.2	-108.1	0.9	0	0	0	110.3	S872	S872-N874 PolarHBondContact O-N 3.19Å
875	D	28.6	Very low	27.8	Very low	157 Å²	157	148.8 Å²	148.8	84%	0.84	80%	0.797	S	S	*	*			trans	-120.8	84.3	164.1	-91.5	-39	0	0	0	108	M877	D875-M877 PolarHBondContact O-N 2.99Å
876	E	29.7	Very low	27.8	Very low	201 Å²	201	148.6 Å²	148.6	94%	0.939	80%	0.796	S	S	*	*			trans	-84.1	95	166.4	-163.7	165.5	-139.1	0	0	108.3	G878	E876-G878 PolarHBondContact O-N 3.26Å
877	M	27.4	Very low	27.7	Very low	157 Å²	157	146.3 Å²	146.3	77%	0.773	80%	0.795	S	S	*	*			trans	-63.8	102.1	-178.9	-84.1	-136.9	-64	0	0	112.4	D875 V879	D875-M877 PolarHBondContact O-N 2.99Å; M877-V879 VanDerWaalsContact C-N 3.32Å; M877-V879 HydrophobicContact CB-CG2 4.23Å; M877-V879 HydrophobicContact CE-CG2 4.07Å; M877-V879 PolarHBondContact O-N 3.27Å
878	G	27.1	Very low	28	Very low	73 Å²	73	147.8 Å²	147.8	75%	0.753	80%	0.799	S	S	*	*			trans	-69.7	86.8	153.2	0	0	0	0	0	110.3	E876 V880	E876-G878 PolarHBondContact O-N 3.26Å; G878-V880 PolarHBondContact O-N 2.94Å
879	V	30.4	Very low	28.2	Very low	107 Å²	107	147.6 Å²	147.6	65%	0.648	79%	0.793	S	S	*	*			trans	-63.3	119.4	179.8	174.2	0	0	0	0	110.7	M877 P881	M877-V879 VanDerWaalsContact C-N 3.32Å; M877-V879 HydrophobicContact CB-CG2 4.23Å; M877-V879 HydrophobicContact CE-CG2 4.07Å; M877-V879 PolarHBondContact O-N 3.27Å; V879-P881 WeakPolarHBondContact O-CD 3.29Å
880	V	24.4	Very low	28.4	Very low	119 Å²	119	145.8 Å²	145.8	72%	0.721	79%	0.789	S	S	*	*			trans	-83	117.3	170.6	175.6	0	0	0	0	110.1	G878	G878-V880 PolarHBondContact O-N 2.94Å
881	P	31.6	Very low	28.7	Very low	111 Å²	111	147.4 Å²	147.4	72%	0.721	79%	0.787	S	S	*	*			trans	-83	114.7	163.9	-1.7	22	0	0	0	108.8	V879 M883	V879-P881 WeakPolarHBondContact O-CD 3.29Å; P881-M883 PolarHBondContact O-N 3.15Å
882	K	27.6	Very low	29	Very low	197 Å²	197	143.7 Å²	143.7	86%	0.857	78%	0.782	S	S	*	*			trans	-63.3	119	165.6	-78.1	177.4	174.3	175	0	109.4
883	M	28.4	Very low	29.1	Very low	185 Å²	185	143 Å²	143	91%	0.911	78%	0.777	S	S	*	*			trans	-120.6	120.9	156.7	-101.4	-71.6	170.7	0	0	108.3	P881	P881-M883 PolarHBondContact O-N 3.15Å
884	L	27.5	Very low	29.4	Very low	145 Å²	145	143.4 Å²	143.4	76%	0.759	78%	0.78	S	S	*	*			trans	-98	152.1	-178.7	-142.4	86.1	0	0	0	109.7
885	T	28.8	Very low	29.5	Very low	118 Å²	118	143.2 Å²	143.2	72%	0.724	78%	0.779	S	S	*	*			trans	69.9	105.5	167.6	70.8	0	0	0	0	117.9
886	K	29.2	Very low	29.5	Very low	206 Å²	206	140.7 Å²	140.7	90%	0.896	77%	0.773	S	S	*	*				-167.1	133.8	89	-98.5	176.1	179.3	179.1	0	112.1
887	T	25.5	Very low	29.5	Very low	135 Å²	135	138.9 Å²	138.9	83%	0.828	77%	0.77	S	S	*	*			trans	-81.1	131	165.1	42.8	0	0	0	0	110.9
888	V	33	Very low	29.7	Very low	140 Å²	140	135.2 Å²	135.2	85%	0.848	76%	0.764	S	S	*	*			trans	-152.9	148.9	140.5	179.4	0	0	0	0	107.3
889	D	29.5	Very low	29.7	Very low	132 Å²	132	138 Å²	138	71%	0.706	77%	0.767	S	S	*	*			trans	-89.1	173.9	-165	-43.9	-85.8	0	0	0	116.7
890	N	31.1	Very low	29.7	Very low	131 Å²	131	141.2 Å²	141.2	70%	0.701	78%	0.775	S	S	*	*			trans	98.7	139.1	143.1	-67.5	-32	0	0	0	122.9
891	Y	32.8	Very low	29.9	Very low	209 Å²	209	143 Å²	143	82%	0.82	78%	0.778	S	S	*	*			trans	62.8	122.6	170.6	-52.8	-71	0	0	0	116.4
892	S	31.9	Very low	29.6	Very low	93 Å²	93	145 Å²	145	65%	0.65	78%	0.779	S	S	*	*			cis	87.2	114.9	27.4	88.8	0	0	0	0	116.2
893	S	32.5	Very low	29.6	Very low	99 Å²	99	140.9 Å²	140.9	69%	0.692	77%	0.77	S	S	*	*			trans	65.7	148.7	162.3	122.3	0	0	0	0	115.7
894	D	31	Very low	29.7	Very low	137 Å²	137	138.5 Å²	138.5	73%	0.733	76%	0.761	S	S	*	*			cis	-151.8	-168.6	1.8	-101.8	-38	0	0	0	110.5
895	D	32.5	Very low	29.8	Very low	156 Å²	156	137.6 Å²	137.6	83%	0.834	76%	0.757	S	S	*	*			trans	91.2	102.9	157.9	-63.9	-18.9	0	0	0	120.6
896	S	27.2	Very low	29.7	Very low	103 Å²	103	139.1 Å²	139.1	72%	0.72	76%	0.758	S	S	*	*			trans	-75.6	145	151.4	47.7	0	0	0	0	112.5
897	D	30.5	Very low	29.6	Very low	164 Å²	164	135.7 Å²	135.7	88%	0.877	75%	0.745	S	S	*	*				-173.9	157.9	126.3	-109	-19.4	0	0	0	117.1
898	A	30.6	Very low	29.7	Very low	79 Å²	79	136.4 Å²	136.4	65%	0.653	75%	0.75	S	S	*	*			trans	53.6	106.9	147.6	0	0	0	0	0	123.9
899	T	26.8	Very low	29.4	Very low	133 Å²	133	135.1 Å²	135.1	82%	0.816	74%	0.737	S	S	*	*				29	116.6	109.8	-41	0	0	0	0	122
900	E	30.9	Very low	29.4	Very low	174 Å²	174	135 Å²	135	81%	0.813	74%	0.736	S	S	*	*			trans	166.2	131.9	130.5	-93.2	-167.3	140	0	0	108.2
901	M	28.6	Very low	29.2	Very low	157 Å²	157	134.8 Å²	134.8	77%	0.773	73%	0.734	S	S	*	*				49.9	139.3	67.8	-92.1	-179	42.4	0	0	114.7
902	M	26	Very low	29.2	Very low	152 Å²	152	132.3 Å²	132.3	75%	0.749	73%	0.733	S	S	*	*			cis	-168.7	141.8	-24.5	-129.2	-178.4	76.2	0	0	108.1
903	V	27.5	Very low	28.9	Very low	111 Å²	111	134.9 Å²	134.9	67%	0.673	74%	0.74	S	S	*	*			trans	68.2	129.2	154.3	-169.6	0	0	0	0	120.8
904	N	30	Very low	29	Very low	134 Å²	134	136.8 Å²	136.8	72%	0.717	75%	0.747	S	S	*	*			trans	159.3	138.8	137.7	-94.4	38.7	0	0	0	107.7
905	D	30.5	Very low	29	Very low	126 Å²	126	134.9 Å²	134.9	67%	0.674	74%	0.744	S	S	*	*			cis	-145.1	130.6	-10.6	-77.4	-52	0	0	0	106.1
906	M	25.9	Very low	29.1	Very low	150 Å²	150	136.4 Å²	136.4	74%	0.739	75%	0.746	S	S	*	*				47.6	111.2	85.8	-105.3	-175	58	0	0	118.4
907	Q	27.2	Very low	29.2	Very low	134 Å²	134	138.1 Å²	138.1	63%	0.626	75%	0.747	S	S	*	*			trans	73.6	120.2	145.7	-67.6	176	-2.8	0	0	121.3	L909	Q907-L909 HydrophobicContact CG-CD1 4.35Å
908	T	28.5	Very low	29.5	Very low	151 Å²	151	138 Å²	138	93%	0.926	75%	0.746	S	S	*	*				-129.9	124.2	120.1	-36.9	0	0	0	0	108.3
909	L	26	Very low	29.5	Very low	113 Å²	113	143.1 Å²	143.1	59%	0.592	75%	0.75	S	S	*	*			trans	-125.3	156.9	-176	-100.7	174.3	0	0	0	109.1	Q907	Q907-L909 HydrophobicContact CG-CD1 4.35Å
910	N	28.9	Very low	29.8	Very low	128 Å²	128	145.1 Å²	145.1	68%	0.684	75%	0.754	S	S	*	*			trans	76.9	156.1	153.3	-60.5	-15.9	0	0	0	119.7
911	I	27.8	Very low	29.8	Very low	128 Å²	128	141.3 Å²	141.3	66%	0.656	74%	0.743	S	S	*	*			cis	-162.1	173.7	-22.4	-100.7	161.4	0	0	0	105.3
912	I	32.7	Very low	30	Very low	156 Å²	156	140.6 Å²	140.6	80%	0.8	75%	0.747	S	S	*	*			trans	126.5	94	149.9	-58.9	174.2	0	0	0	108.4
913	D	26.4	Very low	30.1	Very low	147 Å²	147	143.6 Å²	143.6	79%	0.786	75%	0.75	S	S	*	*				85	128.6	53.8	-157.3	22.6	0	0	0	113.1
914	V	32.6	Very low	30.2	Very low	139 Å²	139	149.9 Å²	149.9	84%	0.842	76%	0.762	S	S	*	*			trans	171.5	145.2	154.2	154.5	0	0	0	0	109.7
915	S	31.2	Very low	30.3	Very low	97 Å²	97	153.9 Å²	153.9	68%	0.678	77%	0.767	S	S	*	*			trans	-79.3	162.4	-162.7	52.9	0	0	0	0	117.9
916	H	35.1	Very low	30.2	Very low	188 Å²	188	152.5 Å²	152.5	87%	0.87	77%	0.768	S	S	*	*			trans	-154.9	136.6	132.5	-113.8	62.4	0	0	0	113.1
917	D	30.3	Very low	30.6	Very low	140 Å²	140	156.8 Å²	156.8	75%	0.749	78%	0.775	S	S	*	*			trans	-72.1	149	166.9	-80	-63.3	0	0	0	111.5
918	N	36.6	Very low	30.7	Very low	160 Å²	160	161.1 Å²	161.1	86%	0.856	79%	0.786	S	S	*	*				-159.9	137.3	129.7	-112	-41.8	0	0	0	114.6
919	Y	30.5	Very low	30.8	Very low	188 Å²	188	161.6 Å²	161.6	74%	0.737	78%	0.782	S	S	*	*			trans	-70.4	144.4	170.5	-84.5	-126.3	0	0	0	111.5	T921	Y919-T921 HydrophobicContact CD1-CG2 4.37Å
920	I	33.6	Very low	30.9	Very low	175 Å²	175	163.7 Å²	163.7	90%	0.897	79%	0.789	S	S	*	*				-143.5	132.6	117.5	-68.5	-161.3	0	0	0	109.3
921	T	30.4	Very low	30.9	Very low	93 Å²	93	162.8 Å²	162.8	57%	0.571	80%	0.799	S	S	*	*			trans	-122	141	177.9	55.8	0	0	0	0	112.8	Y919	Y919-T921 HydrophobicContact CD1-CG2 4.37Å
922	T	32.3	Very low	31	Very low	142 Å²	142	164.3 Å²	164.3	87%	0.871	80%	0.803	S	S	*	*			trans	-156.6	123.3	141.7	47.2	0	0	0	0	107.4
923	R	28.1	Very low	30.8	Very low	216 Å²	216	168.2 Å²	168.2	82%	0.815	81%	0.808	S	S	*	*			cis	85.1	82.9	11.4	-137.4	-175.2	-161.6	-163.3	8.6	118.1
924	R	30.2	Very low	30.9	Very low	242 Å²	242	168.2 Å²	168.2	91%	0.913	81%	0.808	S	S	*	*			trans	-138.2	117.5	137.6	-83.1	-175.8	171.9	175.2	-2.5	106.9
925	R	31.7	Very low	30.7	Very low	218 Å²	218	171.5 Å²	171.5	82%	0.823	81%	0.811	S	S	*	*				66.2	137.4	68.6	-79	-171.9	170.2	175.2	-1.8	113.6
926	S	29.2	Very low	30.6	Very low	98 Å²	98	171.4 Å²	171.4	69%	0.685	81%	0.811	S	S	*	*			cis	161.5	140.1	-26.7	47.4	0	0	0	0	109.5
927	R	33.2	Very low	30.4	Very low	239 Å²	239	167.7 Å²	167.7	90%	0.902	81%	0.806	S	S	*	*			trans	-159.4	111.2	146.4	-102.2	175.3	-171.2	-162.2	1.5	106.9
928	R	30.4	Very low	30.4	Very low	225 Å²	225	165.4 Å²	165.4	85%	0.849	81%	0.807	S	S	*	*				65	130.5	100.7	-87.3	-174.8	170.3	172.3	-3.4	112.5
929	L	30.3	Very low	30.1	Very low	162 Å²	162	162.5 Å²	162.5	85%	0.848	80%	0.799	S	S	*	*			cis	-126	153.3	33.3	-75.5	159.9	0	0	0	115.3
930	Q	27.9	Very low	30	Very low	157 Å²	157	159.8 Å²	159.8	73%	0.734	80%	0.802	S	S	*	*			trans	-94	151.4	159.5	-66.8	165.1	-70.2	0	0	109.1
931	A	28.9	Very low	29.9	Very low	108 Å²	108	156.8 Å²	156.8	89%	0.893	80%	0.797	S	S	*	*			trans	-135.3	118.1	135.5	0	0	0	0	0	107.4
932	Q	29	Very low	30	Very low	161 Å²	161	157.4 Å²	157.4	75%	0.752	80%	0.804	S	S	*	*			trans	-89.4	147.9	169.5	-65.8	173.7	-63.9	0	0	108.6
933	R	30.1	Very low	30.2	Very low	237 Å²	237	157 Å²	157	89%	0.894	80%	0.802	S	S	*	*				-173	126.9	106.6	-101.9	170.3	179.3	176.1	-1.3	111.5
934	N	27.1	Very low	30.5	Very low	147 Å²	147	153.7 Å²	153.7	79%	0.786	80%	0.801	S	S	*	*			trans	-70.8	147.9	149.5	-61.2	-11.2	0	0	0	107.7
935	F	29.6	Very low	31.4	Very low	208 Å²	208	148.1 Å²	148.1	91%	0.912	80%	0.796	S	S	*	*				-161.3	153.8	118.4	-104	-68.5	0	0	0	110.1
936	S	28.6	Very low	31.4	Very low	96 Å²	96	143.4 Å²	143.4	67%	0.671	80%	0.795	S	S	*	*			trans	-93.6	154.4	-171.7	48.8	0	0	0	0	113
937	S	30.6	Very low	31.9	Very low	109 Å²	109	148.4 Å²	148.4	76%	0.762	81%	0.808	S	S	*	*			trans	49.4	116.6	145	62	0	0	0	0	120
938	A	31.2	Very low	32.1	Very low	93 Å²	93	140.5 Å²	140.5	77%	0.769	80%	0.8	S	S	*	*				175.3	125	110	0	0	0	0	0	113.8
939	S	29.6	Very low	32.5	Very low	98 Å²	98	142.9 Å²	142.9	69%	0.685	82%	0.821	S	S	*	*			trans	33.2	118.9	139.9	63.4	0	0	0	0	123.3
940	T	28.7	Very low	32.6	Very low	131 Å²	131	141.9 Å²	141.9	80%	0.804	82%	0.819	S	S	*	*				76.1	141.1	124.5	59.2	0	0	0	0	124.3
941	S	30.2	Very low	32.9	Very low	113 Å²	113	141.1 Å²	141.1	79%	0.79	82%	0.824	S	S	*	*			trans	83	102.7	147.4	70.3	0	0	0	0	121.5
942	S	34	Very low	33.1	Very low	105 Å²	105	142.9 Å²	142.9	73%	0.734	82%	0.82	S	S	*	*				-178.7	93.1	120.8	63.4	0	0	0	0	108.7
943	T	35.7	Very low	33.3	Very low	133 Å²	133	141.9 Å²	141.9	82%	0.816	82%	0.824	S	S	*	*				71	110.4	101.8	55.2	0	0	0	0	116.1
944	D	34.8	Very low	33.5	Very low	148 Å²	148	135.9 Å²	135.9	79%	0.791	82%	0.82	S	S	*	*			trans	-63.7	-177.8	154.9	-53.3	-68.7	0	0	0	111.4
945	P	49.2	Very low	34	Very low	125 Å²	125	135.2 Å²	135.2	81%	0.812	82%	0.822	S	S	*	*				-147	155	92.2	37.7	-20.9	0	0	0	118.1
946	C	32.1	Very low	34.3	Very low	119 Å²	119	130 Å²	130	80%	0.804	82%	0.815	S	S	*	*			trans	-23.4	144.3	157.1	-44.8	0	0	0	0	120.2
947	E	38.3	Very low	34.7	Very low	203 Å²	203	132.6 Å²	132.6	95%	0.949	83%	0.826	S	S	*	*				-148.7	150.4	119.9	-93.1	175.7	-173.9	0	0	105.9
948	G	38.2	Very low	35.1	Very low	72 Å²	72	134.6 Å²	134.6	74%	0.742	83%	0.832	S	S	*	*			cis	154	48.1	0.3	0	0	0	0	0	115
949	E	39.1	Very low	35.4	Very low	275 Å²	275	138.4 Å²	138.4	100%	1.285	84%	0.838	S	S	*	*			trans	-160.1	0	161.2	-116.3	175.5	-162.5	0	0	111.8

Retrieved 949 of 949 residues in 830 ms (Link to these results)

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