A0A087XSH3_POEFO Loading...

Signal peptide, CUB domain, EGF-like 2

AlphaFold DB , UniProt , Accession A0A087XSH3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 905 aa.

						>A0A087XSH3_POEFO|A0A087XSH3
MFNNGGCQHTCVNTVGSYECRCKEGFFLSDNQHTCIHRSIEGLNCMNKEHGCAHICKESHRGGVACECRPGFELARNQRDCILTCIHGNGGCQHTCEDTEDGPICRCHVRYTLQPDKKTCVERDEATSESSDHNATSSTEADKRVKRRLSMETCALNNGGCDSTCKDTSTGVRCSCPDGFTLQPDGKSCKDIDECESHNGSCEHFCKNTVGSFECNCRKGFKLLSDERSCQDIDECYFERTCDHTCVNSPGGFQCLCNKGYTLYGLAHCGDVNECSVNNGGCEHGCENTVGGFECFCRPGYKLHWNKKDCIKAEGLTPANPPSKPTLNCSKQHGGDRCFLNCQSQVHISSGTEDSYTVTCGMPLPCLAGIQKSNSGSHCLGPEKAGVHRIKTTATFKSGTAKCNLKRSQEKLWESFNSAHSDCSFLFTENVQFSYVSLHCTSLGQRTRSRHSRKAVEDDGFAITAEFELDVNLEEVTAESCDLNCVRRRSEKRLRKTIRTLRKSINREQFHLHFAGADYDLSRSQGQLVGLPGHCLAGQVLVGRKCVSCSAGTYYDGDQGHCVTCPAGTYQDEEGQMSCEVCPTPEGREVPKVIGARNMSECGGQCPPGQYSLDGFVPCLPCPLGTYQPEVGRTTCFLCGGNLVTKHSGAVSFQECETKVQCSPGHYYNTSTHRCIRCPTGTYQGEFGQNYCVTCPGNTSTDFDGSTNIMQCKNRQCGGELGEFSGYIESPNYPGNYPANIECTWTINPPPKRRVLIVVPEIYLPIEDECGDYLVMRKSSLPNSVTTYETCQTYERPIAFTSRSKRLWIQFRSNEGNSAKGFQVLYVTYDEDYQELIEDIVRDGRLYASVNHQEILKDKKLMKALFDVLAHPQNYFNYTTQESKEMFPKSFIRFVRSKVMRFFRP
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.2	Very low	55.9	Low	243 Å²	243	80.8 Å²	80.8	100%	1.197	43%	0.425	S	S	*	.				0	141	0	-93.3	173.7	164.9	0	0	108.4
2	F	38.6	Very low	57.3	Low	204 Å²	204	78.4 Å²	78.4	90%	0.895	42%	0.416	S	S	*	.			trans	-81.9	139.7	-132.4	-78.2	-97.6	0	0	0	116.2	N4	F2-N4 PolarHBondContact O-N 3.25Å
3	N	43.1	Very low	56.9	Low	123 Å²	123	83 Å²	83	66%	0.658	44%	0.441	S	S	*	.			trans	-65.5	96.8	167.4	-160.4	6.6	0	0	0	108.5	G5 R796	N3-G5 PolarHBondContact O-N 2.7Å; N3-R796 PolarHBondContact OD1-NH1 2.75Å; N3-R796 PolarHBondContact OD1-NH2 3.06Å
4	N	57.1	Low	56.7	Low	59 Å²	59	81.6 Å²	81.6	32%	0.316	44%	0.437	S	S	.	.			trans	-72.2	33.8	-173.9	-162	41	0	0	0	113.7	F2 G6 C7 H9 C11	F2-N4 PolarHBondContact O-N 3.25Å; N4-G6 PolarHBondContact O-N 3.04Å; N4-C7 PolarHBondContact ND2-O 3.25Å; N4-C7 WeakPolarHBondContact O-CB 3.42Å; N4-C7 PolarHBondContact O-N 2.81Å; N4-H9 PolarHBondContact ND2-O 3.33Å; N4-C11 HydrophobicContact CB-CB 4.33Å; N4-C11 VanDerWaalsContact O-CB 3.26Å; N4-C11 WeakPolarHBondContact O-CB 3.45Å; N4-C11 WeakPolarHBondContact OD1-CB 3.45Å; N4-C11 PolarHBondContact OD1-N 2.99Å
5	G	56.4	Low	55.6	Low	17 Å²	17	85.9 Å²	85.9	18%	0.175	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	7.5	-179.9	0	0	0	0	0	116.2	N3 Y18 H33	N3-G5 PolarHBondContact O-N 2.7Å; G5-Y18 WeakPolarHBondContact O-CE2 3.43Å; G5-Y18 PolarHBondContact O-OH 3.38Å; G5-H33 PolarHBondContact O-CE1 3.32Å
6	G	57.8	Low	54.5	Low	23 Å²	23	86 Å²	86	24%	0.237	49%	0.494	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	9.7	-169.5	0	0	0	0	0	114.7	N4 H33	N4-G6 PolarHBondContact O-N 3.04Å; G6-H33 WeakPolarHBondContact O-CB 3.41Å; G6-H33 PolarHBondContact O-ND1 3.11Å
7	C	61.3	Low	54.2	Low	11 Å²	11	85.3 Å²	85.3	7%	0.074	50%	0.496	C	S	.	.			trans	-76.6	137.2	173.8	-55.9	0	0	0	0	112.5	N4 C11 C20	N4-C7 PolarHBondContact ND2-O 3.25Å; N4-C7 WeakPolarHBondContact O-CB 3.42Å; N4-C7 PolarHBondContact O-N 2.81Å; C7-C11 HydrophobicContact CB-CB 4.03Å; C7-C11 VanDerWaalsContact SG-CB 3.59Å; C7-C20 WeakPolarHBondContact CA-SG 3.15Å; C7-C20 HydrophobicContact CB-CB 3.42Å; C7-C20 VanDerWaalsContact CB-CB 3.42Å; C7-C20 WeakPolarHBondContact CB-SG 3.2Å; C7-C20 WeakPolarHBondContact SG-CA 3.42Å; C7-C20 WeakPolarHBondContact SG-CB 3.13Å; C7-C20 CovalentContact SG-SG 2.01Å; C7-C20 PolarHBondContact SG-SG 3.03Å
8	Q	57.6	Low	54.7	Low	72 Å²	72	85.9 Å²	85.9	34%	0.336	49%	0.489	S	S	.	.	S	Bend	trans	-69.3	-35.7	178	178.7	173	-15.4	0	0	112.8	H33 C35	Q8-H33 VanDerWaalsContact CB-O 3.31Å; Q8-H33 WeakPolarHBondContact CB-O 3.34Å; Q8-H33 PolarHBondContact N-O 2.94Å; Q8-C35 HydrophobicContact CB-CB 4.39Å; Q8-C35 HydrophobicContact CG-CB 4.31Å; Q8-C35 PolarHBondContact NE2-O 2.74Å; Q8-C35 PolarHBondContact OE1-O 3.37Å
9	H	73.1	Confident	54.7	Low	45 Å²	45	85.4 Å²	85.4	21%	0.208	48%	0.482	C	S	.	.	S	Bend	trans	-112.4	-91.2	178	-73.1	158.2	0	0	0	111.1	N4 R21 K23 F26 C35	N4-H9 PolarHBondContact ND2-O 3.33Å; H9-R21 VanDerWaalsContact CB-O 3.23Å; H9-R21 WeakPolarHBondContact CB-O 3.03Å; H9-K23 HydrophobicContact CB-CG 4.38Å; H9-K23 PolarHBondContact ND1-N 3.07Å; H9-F26 AromaticContact CE1-CD1 3.98Å; H9-F26 AromaticContact CE1-CG 3.74Å; H9-C35 VanDerWaalsContact CE1-CB 3.43Å; H9-C35 WeakPolarHBondContact CE1-CB 3.41Å; H9-C35 WeakPolarHBondContact ND1-CB 3.11Å; H9-C35 PolarHBondContact ND1-SG 3.49Å
10	T	73.3	Confident	55.5	Low	66 Å²	66	81.4 Å²	81.4	41%	0.405	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.7	-172.6	-53.7	0	0	0	0	110.2	V12 C20 R21	T10-V12 HydrophobicContact CG2-CG2 4.11Å; T10-C20 CarbonylContact O-C 3.16Å; T10-C20 WeakPolarHBondContact O-CA 3.42Å; T10-R21 WeakPolarHBondContact CB-O 3.31Å; T10-R21 PolarHBondContact N-O 3.23Å; T10-R21 PolarHBondContact O-N 2.98Å
11	C	66.4	Low	56.3	Low	26 Å²	26	84.9 Å²	84.9	18%	0.176	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	122	167.1	-171.9	0	0	0	0	109.6	N4 C7 Y18 E19	N4-C11 HydrophobicContact CB-CB 4.33Å; N4-C11 VanDerWaalsContact O-CB 3.26Å; N4-C11 WeakPolarHBondContact O-CB 3.45Å; N4-C11 WeakPolarHBondContact OD1-CB 3.45Å; N4-C11 PolarHBondContact OD1-N 2.99Å; C7-C11 HydrophobicContact CB-CB 4.03Å; C7-C11 VanDerWaalsContact SG-CB 3.59Å; C11-Y18 WeakPolarHBondContact SG-CD2 3.44Å; C11-E19 CarbonylContact C-O 3.5Å; C11-E19 WeakPolarHBondContact CA-O 3.4Å
12	V	72.7	Confident	58.4	Low	52 Å²	52	74.8 Å²	74.8	32%	0.315	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	114.4	175	-176.6	0	0	0	0	107.5	T10 T14 Y18 E19 R21	T10-V12 HydrophobicContact CG2-CG2 4.11Å; V12-T14 PolarHBondContact O-N 2.96Å; V12-Y18 CarbonylContact O-C 3.58Å; V12-Y18 WeakPolarHBondContact O-CA 3.38Å; V12-E19 PolarHBondContact N-O 3.25Å; V12-E19 PolarHBondContact O-N 3.14Å; V12-R21 HydrophobicContact CG2-CB 4.42Å; V12-R21 HydrophobicContact CG2-CG 3.95Å
13	N	52.4	Low	59.9	Low	138 Å²	138	71.6 Å²	71.6	74%	0.738	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	129.3	174	-71.7	-21	0	0	0	109.4
14	T	53.8	Low	61.2	Low	64 Å²	64	75.1 Å²	75.1	39%	0.393	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	156.9	172.5	54	0	0	0	0	108.5	V12 G16 S17	V12-T14 PolarHBondContact O-N 2.96Å; T14-G16 PolarHBondContact O-N 3.29Å; T14-S17 CarbonylContact C-O 3.56Å; T14-S17 PolarHBondContact N-O 3.32Å; T14-S17 CarbonylContact O-C 3.46Å; T14-S17 PolarHBondContact O-N 2.99Å; T14-S17 VanDerWaalsContact OG1-C 3.25Å; T14-S17 PolarHBondContact OG1-O 2.8Å
15	V	40	Very low	61.3	Low	145 Å²	145	74.3 Å²	74.3	88%	0.879	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	108.9	-176.1	-177.5	0	0	0	0	108.9
16	G	37.7	Very low	61.5	Low	88 Å²	88	77.5 Å²	77.5	91%	0.907	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.2	2.5	-176.9	0	0	0	0	0	116.2	T14	T14-G16 PolarHBondContact O-N 3.29Å
17	S	50.3	Low	61.5	Low	74 Å²	74	79.9 Å²	79.9	52%	0.517	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	-170.9	179.5	-168	0	0	0	0	111.9	T14	T14-S17 CarbonylContact C-O 3.56Å; T14-S17 PolarHBondContact N-O 3.32Å; T14-S17 CarbonylContact O-C 3.46Å; T14-S17 PolarHBondContact O-N 2.99Å; T14-S17 VanDerWaalsContact OG1-C 3.25Å; T14-S17 PolarHBondContact OG1-O 2.8Å
18	Y	63.3	Low	61.5	Low	96 Å²	96	82.3 Å²	82.3	38%	0.376	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	153.1	169.3	67.9	-89.3	0	0	0	110.5	G5 C11 V12 H33	G5-Y18 WeakPolarHBondContact O-CE2 3.43Å; G5-Y18 PolarHBondContact O-OH 3.38Å; C11-Y18 WeakPolarHBondContact SG-CD2 3.44Å; V12-Y18 CarbonylContact O-C 3.58Å; V12-Y18 WeakPolarHBondContact O-CA 3.38Å; Y18-H33 AromaticContact CE2-CE1 3.83Å
19	E	54.1	Low	61.4	Low	77 Å²	77	79.7 Å²	79.7	36%	0.36	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	140	-177.1	179.3	-178.2	156.2	0	0	111.3	C11 V12	C11-E19 CarbonylContact C-O 3.5Å; C11-E19 WeakPolarHBondContact CA-O 3.4Å; V12-E19 PolarHBondContact N-O 3.25Å; V12-E19 PolarHBondContact O-N 3.14Å
20	C	71.4	Confident	60.2	Low	5 Å²	5	82.6 Å²	82.6	3%	0.034	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	122.3	173.6	-54.4	0	0	0	0	111.2	C7 T10 L28 Q32 H33	C7-C20 WeakPolarHBondContact CA-SG 3.15Å; C7-C20 HydrophobicContact CB-CB 3.42Å; C7-C20 VanDerWaalsContact CB-CB 3.42Å; C7-C20 WeakPolarHBondContact CB-SG 3.2Å; C7-C20 WeakPolarHBondContact SG-CA 3.42Å; C7-C20 WeakPolarHBondContact SG-CB 3.13Å; C7-C20 CovalentContact SG-SG 2.01Å; C7-C20 PolarHBondContact SG-SG 3.03Å; T10-C20 CarbonylContact O-C 3.16Å; T10-C20 WeakPolarHBondContact O-CA 3.42Å; C20-L28 HydrophobicContact CB-CD1 3.66Å; C20-L28 HydrophobicContact CB-CD2 4.47Å; C20-L28 WeakPolarHBondContact O-CD1 3.32Å; C20-L28 WeakPolarHBondContact O-CD2 3.43Å; C20-Q32 WeakPolarHBondContact CB-O 3.13Å; C20-Q32 PolarHBondContact SG-O 2.76Å; C20-H33 PolarHBondContact SG-ND1 3.15Å
21	R	72.8	Confident	59.1	Low	155 Å²	155	82.8 Å²	82.8	59%	0.585	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	137.3	173.7	-69.1	-170.7	69.5	-166.5	-1.5	111.1	H9 T10 V12	H9-R21 VanDerWaalsContact CB-O 3.23Å; H9-R21 WeakPolarHBondContact CB-O 3.03Å; T10-R21 WeakPolarHBondContact CB-O 3.31Å; T10-R21 PolarHBondContact N-O 3.23Å; T10-R21 PolarHBondContact O-N 2.98Å; V12-R21 HydrophobicContact CG2-CB 4.42Å; V12-R21 HydrophobicContact CG2-CG 3.95Å
22	C	73.1	Confident	58.6	Low	30 Å²	30	86.1 Å²	86.1	20%	0.203	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-91.6	148.3	176.7	-57.4	0	0	0	0	111.6	F26 F27 L28 C35	C22-F26 HydrophobicContact CB-CB 3.92Å; C22-F26 WeakPolarHBondContact CB-O 3.32Å; C22-F27 VanDerWaalsContact SG-C 3.51Å; C22-L28 PolarHBondContact SG-N 3.48Å; C22-L28 VanDerWaalsContact SG-N 3.45Å; C22-C35 WeakPolarHBondContact CA-SG 3.1Å; C22-C35 HydrophobicContact CB-CB 3.74Å; C22-C35 WeakPolarHBondContact CB-SG 3.44Å; C22-C35 WeakPolarHBondContact SG-CA 3.42Å; C22-C35 WeakPolarHBondContact SG-CB 3.23Å; C22-C35 CovalentContact SG-SG 2.03Å; C22-C35 PolarHBondContact SG-SG 3.04Å
23	K	71.2	Confident	57.9	Low	137 Å²	137	86.8 Å²	86.8	60%	0.596	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-67.3	160.8	170	-63.8	179.3	179.9	177	0	110.3	H9 G25 F26	H9-K23 HydrophobicContact CB-CG 4.38Å; H9-K23 PolarHBondContact ND1-N 3.07Å; K23-G25 PolarHBondContact O-N 3.34Å; K23-F26 PolarHBondContact O-N 3.45Å; K23-F26 VanDerWaalsContact O-N 3.1Å
24	E	69.3	Low	58.1	Low	198 Å²	198	81.7 Å²	81.7	93%	0.925	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	136.3	-179.8	-106.5	-178.3	157.3	0	0	112.4	F26	E24-F26 VanDerWaalsContact C-N 3.34Å
25	G	59.4	Low	58.9	Low	41 Å²	41	78.8 Å²	78.8	42%	0.423	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	-12.9	-175.6	0	0	0	0	0	115.4	K23 H37	K23-G25 PolarHBondContact O-N 3.34Å; G25-H37 PolarHBondContact O-CD2 3.3Å
26	F	60.1	Low	59.7	Low	84 Å²	84	74 Å²	74	37%	0.368	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	145.2	178.8	-65.2	-103.8	0	0	0	111.6	H9 C22 K23 E24 C35 I36 H37	H9-F26 AromaticContact CE1-CD1 3.98Å; H9-F26 AromaticContact CE1-CG 3.74Å; C22-F26 HydrophobicContact CB-CB 3.92Å; C22-F26 WeakPolarHBondContact CB-O 3.32Å; K23-F26 PolarHBondContact O-N 3.45Å; K23-F26 VanDerWaalsContact O-N 3.1Å; E24-F26 VanDerWaalsContact C-N 3.34Å; F26-C35 HydrophobicContact CB-CB 4.07Å; F26-I36 CarbonylContact C-O 3.59Å; F26-I36 WeakPolarHBondContact CA-O 3.18Å; F26-H37 HydrophobicContact CD1-CB 3.81Å; F26-H37 HydrophobicContact CE1-CB 3.7Å; F26-H37 HydrophobicContact CG-CB 4.44Å; F26-H37 HydrophobicContact CZ-CB 4.23Å
27	F	58.5	Low	60.5	Low	73 Å²	73	75.7 Å²	75.7	32%	0.32	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	146.2	-178.2	-59.4	-81.7	0	0	0	110.8	C22 S29 C35 I36 R38 M46	C22-F27 VanDerWaalsContact SG-C 3.51Å; F27-S29 PolarHBondContact O-N 3.48Å; F27-C35 CarbonylContact O-C 3.38Å; F27-C35 VanDerWaalsContact O-CA 3.29Å; F27-C35 WeakPolarHBondContact O-CA 3.03Å; F27-I36 HydrophobicContact CB-CG1 4.29Å; F27-I36 PolarHBondContact N-O 3.11Å; F27-I36 VanDerWaalsContact O-CG1 3.26Å; F27-I36 WeakPolarHBondContact O-CG1 3.4Å; F27-I36 PolarHBondContact O-N 2.99Å; F27-R38 HydrophobicContact CD2-CB 4Å; F27-R38 HydrophobicContact CE2-CB 4.04Å; F27-M46 HydrophobicContact CD1-CE 3.32Å; F27-M46 HydrophobicContact CE1-CE 3.35Å; F27-M46 HydrophobicContact CG-CE 4.27Å; F27-M46 HydrophobicContact CZ-CE 4.33Å
28	L	61.7	Low	60.7	Low	63 Å²	63	79.3 Å²	79.3	33%	0.33	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	127.8	177.3	-161.3	71.9	0	0	0	109.8	C20 C22 Q32 T34	C20-L28 HydrophobicContact CB-CD1 3.66Å; C20-L28 HydrophobicContact CB-CD2 4.47Å; C20-L28 WeakPolarHBondContact O-CD1 3.32Å; C20-L28 WeakPolarHBondContact O-CD2 3.43Å; C22-L28 PolarHBondContact SG-N 3.48Å; C22-L28 VanDerWaalsContact SG-N 3.45Å; L28-Q32 HydrophobicContact CD2-CB 4.4Å; L28-T34 CarbonylContact C-O 3.48Å; L28-T34 WeakPolarHBondContact CA-O 3.5Å
29	S	54.3	Low	59.8	Low	16 Å²	16	79.8 Å²	79.8	11%	0.112	39%	0.394	C	S	.	.			trans	-76	166	178.3	102.4	0	0	0	0	111.4	F27 N31 Q32 T34	F27-S29 PolarHBondContact O-N 3.48Å; S29-N31 PolarHBondContact O-N 3.18Å; S29-N31 PolarHBondContact OG-N 2.91Å; S29-N31 PolarHBondContact OG-ND2 2.85Å; S29-N31 PolarHBondContact OG-OD1 3.43Å; S29-Q32 PolarHBondContact O-N 3.32Å; S29-T34 WeakPolarHBondContact CB-OG1 3.44Å; S29-T34 PolarHBondContact N-O 2.95Å; S29-T34 PolarHBondContact OG-OG1 2.95Å
30	D	47.8	Very low	59.7	Low	107 Å²	107	83.6 Å²	83.6	57%	0.572	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-18.3	-177.8	-54.1	33	0	0	0	113.8	Q32 R803	D30-Q32 PolarHBondContact O-N 2.92Å; D30-R803 IonicContact OD1-CZ 2.83Å; D30-R803 IonicContact OD1-NH1 2.69Å; D30-R803 IonicContact OD1-NH2 2.75Å; D30-R803 PolarHBondContact OD1-NH2 2.01Å; D30-R803 IonicContact OD2-CZ 2.85Å; D30-R803 IonicContact OD2-NH1 2.65Å; D30-R803 PolarHBondContact OD2-NH1 2.83Å; D30-R803 IonicContact OD2-NH2 3.62Å; D30-R803 PolarHBondContact OD2-NH2 2.72Å
31	N	50.5	Low	58.3	Low	70 Å²	70	92.5 Å²	92.5	37%	0.374	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	0.6	173.7	72.7	11.4	0	0	0	113.8	S29 H33 T34	S29-N31 PolarHBondContact O-N 3.18Å; S29-N31 PolarHBondContact OG-N 2.91Å; S29-N31 PolarHBondContact OG-ND2 2.85Å; S29-N31 PolarHBondContact OG-OD1 3.43Å; N31-H33 PolarHBondContact O-CD2 3.46Å; N31-H33 PolarHBondContact O-N 3.33Å; N31-H33 PolarHBondContact OD1-N 3.11Å; N31-T34 WeakPolarHBondContact ND2-CG2 3.49Å; N31-T34 PolarHBondContact ND2-OG1 3.16Å; N31-T34 PolarHBondContact OD1-N 2.84Å; N31-T34 PolarHBondContact OD1-OG1 2.03Å
32	Q	55.7	Low	56.8	Low	95 Å²	95	88.7 Å²	88.7	44%	0.444	47%	0.465	S	S	.	.	S	Bend	trans	60.3	10.7	176.1	-56.8	179.6	33.3	0	0	115.8	C20 L28 S29 D30	C20-Q32 WeakPolarHBondContact CB-O 3.13Å; C20-Q32 PolarHBondContact SG-O 2.76Å; L28-Q32 HydrophobicContact CD2-CB 4.4Å; S29-Q32 PolarHBondContact O-N 3.32Å; D30-Q32 PolarHBondContact O-N 2.92Å
33	H	58.3	Low	55.7	Low	67 Å²	67	94.3 Å²	94.3	31%	0.31	49%	0.493	S	S	.	.	S	Bend	trans	-127.6	-29.6	-176.4	-75.3	-67.2	0	0	0	113.2	G5 G6 Q8 Y18 C20 N31	G5-H33 PolarHBondContact O-CE1 3.32Å; G6-H33 WeakPolarHBondContact O-CB 3.41Å; G6-H33 PolarHBondContact O-ND1 3.11Å; Q8-H33 VanDerWaalsContact CB-O 3.31Å; Q8-H33 WeakPolarHBondContact CB-O 3.34Å; Q8-H33 PolarHBondContact N-O 2.94Å; Y18-H33 AromaticContact CE2-CE1 3.83Å; C20-H33 PolarHBondContact SG-ND1 3.15Å; N31-H33 PolarHBondContact O-CD2 3.46Å; N31-H33 PolarHBondContact O-N 3.33Å; N31-H33 PolarHBondContact OD1-N 3.11Å
34	T	57.5	Low	54.8	Low	30 Å²	30	92 Å²	92	18%	0.184	49%	0.487	C	S	.	.			trans	-100.3	147.7	-177.9	58	0	0	0	0	113	L28 S29 N31	L28-T34 CarbonylContact C-O 3.48Å; L28-T34 WeakPolarHBondContact CA-O 3.5Å; S29-T34 WeakPolarHBondContact CB-OG1 3.44Å; S29-T34 PolarHBondContact N-O 2.95Å; S29-T34 PolarHBondContact OG-OG1 2.95Å; N31-T34 WeakPolarHBondContact ND2-CG2 3.49Å; N31-T34 PolarHBondContact ND2-OG1 3.16Å; N31-T34 PolarHBondContact OD1-N 2.84Å; N31-T34 PolarHBondContact OD1-OG1 2.03Å
35	C	71.1	Confident	54.1	Low	4 Å²	4	84.9 Å²	84.9	3%	0.027	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	117.4	-179.7	-69.3	0	0	0	0	109.9	Q8 H9 C22 F26 F27	Q8-C35 HydrophobicContact CB-CB 4.39Å; Q8-C35 HydrophobicContact CG-CB 4.31Å; Q8-C35 PolarHBondContact NE2-O 2.74Å; Q8-C35 PolarHBondContact OE1-O 3.37Å; H9-C35 VanDerWaalsContact CE1-CB 3.43Å; H9-C35 WeakPolarHBondContact CE1-CB 3.41Å; H9-C35 WeakPolarHBondContact ND1-CB 3.11Å; H9-C35 PolarHBondContact ND1-SG 3.49Å; C22-C35 WeakPolarHBondContact CA-SG 3.1Å; C22-C35 HydrophobicContact CB-CB 3.74Å; C22-C35 WeakPolarHBondContact CB-SG 3.44Å; C22-C35 WeakPolarHBondContact SG-CA 3.42Å; C22-C35 WeakPolarHBondContact SG-CB 3.23Å; C22-C35 CovalentContact SG-SG 2.03Å; C22-C35 PolarHBondContact SG-SG 3.04Å; F26-C35 HydrophobicContact CB-CB 4.07Å; F27-C35 CarbonylContact O-C 3.38Å; F27-C35 VanDerWaalsContact O-CA 3.29Å; F27-C35 WeakPolarHBondContact O-CA 3.03Å
36	I	55.7	Low	53.9	Low	45 Å²	45	89.2 Å²	89.2	23%	0.231	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	136.3	-177.1	55.6	166.8	0	0	0	110.8	F26 F27 R38	F26-I36 CarbonylContact C-O 3.59Å; F26-I36 WeakPolarHBondContact CA-O 3.18Å; F27-I36 HydrophobicContact CB-CG1 4.29Å; F27-I36 PolarHBondContact N-O 3.11Å; F27-I36 VanDerWaalsContact O-CG1 3.26Å; F27-I36 WeakPolarHBondContact O-CG1 3.4Å; F27-I36 PolarHBondContact O-N 2.99Å; I36-R38 HydrophobicContact CD1-CG 4.47Å
37	H	54.2	Low	53.6	Low	122 Å²	122	91 Å²	91	57%	0.565	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	125.3	173.2	-170	-99.9	0	0	0	109.3	G25 F26	G25-H37 PolarHBondContact O-CD2 3.3Å; F26-H37 HydrophobicContact CD1-CB 3.81Å; F26-H37 HydrophobicContact CE1-CB 3.7Å; F26-H37 HydrophobicContact CG-CB 4.44Å; F26-H37 HydrophobicContact CZ-CB 4.23Å
38	R	54.3	Low	53	Low	150 Å²	150	98 Å²	98	57%	0.566	51%	0.512	S	S	*	.			trans	-120.6	122.1	171.4	-76.2	-169.5	179.9	-172.3	3.6	109.6	F27 I36 I40	F27-R38 HydrophobicContact CD2-CB 4Å; F27-R38 HydrophobicContact CE2-CB 4.04Å; I36-R38 HydrophobicContact CD1-CG 4.47Å; R38-I40 PolarHBondContact O-N 3.32Å
39	S	45.7	Very low	52.3	Low	107 Å²	107	103 Å²	103	75%	0.748	53%	0.534	S	S	*	.			trans	-65.3	123.4	164.8	51	0	0	0	0	108.7	E41	S39-E41 PolarHBondContact O-N 2.91Å; S39-E41 VanDerWaalsContact O-N 3.11Å
40	I	50.4	Low	52.3	Low	156 Å²	156	107.1 Å²	107.1	80%	0.8	55%	0.552	S	S	*	*	S	Bend	trans	-63.4	109.2	-176.4	-64.6	162.7	0	0	0	109	R38	R38-I40 PolarHBondContact O-N 3.32Å
41	E	42.5	Very low	53	Low	193 Å²	193	104.4 Å²	104.4	90%	0.902	55%	0.549	S	S	*	.			trans	-175.5	109	150.8	-105.5	166.3	-156.7	0	0	110	S39	S39-E41 PolarHBondContact O-N 2.91Å; S39-E41 VanDerWaalsContact O-N 3.11Å
42	G	42.1	Very low	53.7	Low	75 Å²	75	102.5 Å²	102.5	77%	0.773	54%	0.541	S	S	*	.			trans	147.5	116.5	171.8	0	0	0	0	0	113.5
43	L	49.6	Very low	54	Low	148 Å²	148	100.3 Å²	100.3	78%	0.775	54%	0.539	S	S	*	.			trans	-54.1	132.5	179.6	-67.6	169.5	0	0	0	112.4
44	N	53.2	Low	53.9	Low	89 Å²	89	99.7 Å²	99.7	48%	0.476	54%	0.537	S	S	.	.	S	Bend	trans	145.5	140.4	146	-68.6	-15.8	0	0	0	111.6	M46 E58	N44-M46 PolarHBondContact O-N 2.94Å; N44-M46 VanDerWaalsContact O-N 3.09Å; N44-E58 HydrophobicContact CB-CG 4.2Å; N44-E58 WeakPolarHBondContact CB-OE1 3.34Å; N44-E58 PolarHBondContact ND2-OE1 3.32Å; N44-E58 PolarHBondContact ND2-OE2 3.16Å; N44-E58 VanDerWaalsContact ND2-OE2 3.08Å
45	C	54.7	Low	54.1	Low	48 Å²	48	100.9 Å²	100.9	32%	0.324	54%	0.541	S	S	.	.	S	Bend	trans	52.6	17.1	-174.2	-72.9	0	0	0	0	117.9	C56	C45-C56 HydrophobicContact CB-CB 3.85Å; C45-C56 WeakPolarHBondContact CB-SG 3.36Å; C45-C56 WeakPolarHBondContact SG-CB 3.45Å; C45-C56 CovalentContact SG-SG 2.04Å; C45-C56 PolarHBondContact SG-SG 3.26Å
46	M	54.7	Low	54	Low	132 Å²	132	102.8 Å²	102.8	65%	0.65	55%	0.554	S	S	*	*			trans	-145.1	59.1	-176.1	-74.8	-69.8	-142.8	0	0	112.5	F27 N44	F27-M46 HydrophobicContact CD1-CE 3.32Å; F27-M46 HydrophobicContact CE1-CE 3.35Å; F27-M46 HydrophobicContact CG-CE 4.27Å; F27-M46 HydrophobicContact CZ-CE 4.33Å; N44-M46 PolarHBondContact O-N 2.94Å; N44-M46 VanDerWaalsContact O-N 3.09Å
47	N	54.4	Low	54.3	Low	120 Å²	120	105.3 Å²	105.3	64%	0.642	56%	0.563	S	S	*	*			trans	-133.2	140.8	162.6	-114.8	-18.5	0	0	0	109.6	E49 H50	N47-E49 PolarHBondContact O-N 2.97Å; N47-H50 PolarHBondContact O-N 3.47Å
48	K	45.4	Very low	54.6	Low	220 Å²	220	105.3 Å²	105.3	96%	0.957	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.3	-19.9	-170.3	-110.6	179.6	177.9	178.6	0	114.9
49	E	46.8	Very low	54.8	Low	169 Å²	169	100.9 Å²	100.9	79%	0.79	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.2	-1.9	-176.8	-62.2	-152.2	153.7	0	0	115.4	N47	N47-E49 PolarHBondContact O-N 2.97Å
50	H	53.9	Low	55.2	Low	102 Å²	102	105.4 Å²	105.4	47%	0.472	56%	0.564	S	S	.	*	S	Bend	trans	-134	26.8	-175.8	-62.6	-39.6	0	0	0	116.6	N47 R79	N47-H50 PolarHBondContact O-N 3.47Å; H50-R79 PolarHBondContact ND1-NH2 3.21Å; H50-R79 PolarHBondContact O-NH1 3.09Å
51	G	62.3	Low	55.4	Low	51 Å²	51	109.6 Å²	109.6	53%	0.526	57%	0.57	S	S	.	*			trans	-67.1	139.9	-178.5	0	0	0	0	0	115.6
52	C	65.3	Low	56	Low	29 Å²	29	104.2 Å²	104.2	20%	0.196	57%	0.566	C	S	.	*			trans	-95.1	145.4	168.2	-59	0	0	0	0	110.1	I55 C56 C66 R79	C52-I55 WeakPolarHBondContact CB-O 3.48Å; C52-C56 HydrophobicContact CB-CB 3.97Å; C52-C56 VanDerWaalsContact SG-CB 3.57Å; C52-C56 VanDerWaalsContact SG-SG 3.61Å; C52-C66 VanDerWaalsContact CA-SG 3.55Å; C52-C66 HydrophobicContact CB-CB 3.56Å; C52-C66 WeakPolarHBondContact CB-SG 3.16Å; C52-C66 VanDerWaalsContact SG-CA 3.51Å; C52-C66 WeakPolarHBondContact SG-CB 3.48Å; C52-C66 CovalentContact SG-SG 2.02Å; C52-C66 PolarHBondContact SG-SG 3.36Å; C52-R79 CarbonylContact C-O 3.55Å; C52-R79 WeakPolarHBondContact CA-O 3Å
53	A	62.3	Low	56.9	Low	50 Å²	50	102.4 Å²	102.4	41%	0.413	55%	0.547	S	S	.	.	S	Bend	trans	-71.1	-32.7	-178.5	0	0	0	0	0	114.5	R79 C81	A53-R79 PolarHBondContact N-O 3.14Å; A53-C81 HydrophobicContact CB-CB 4.12Å
54	H	56.9	Low	57.5	Low	54 Å²	54	98.3 Å²	98.3	25%	0.25	53%	0.529	C	S	.	.	S	Bend	trans	-126.3	-58.4	-177.3	-75.7	152.2	0	0	0	114.6	E67 R69 F72 C81	H54-E67 WeakPolarHBondContact CB-O 3.49Å; H54-R69 HydrophobicContact CB-CG 4.22Å; H54-F72 AromaticContact CE1-CD1 3.44Å; H54-F72 VanDerWaalsContact CE1-CD1 3.44Å; H54-F72 WeakPolarHBondContact CE1-CD1 3.43Å; H54-F72 AromaticContact CE1-CD2 3.77Å; H54-F72 AromaticContact CE1-CE1 3.72Å; H54-F72 AromaticContact CE1-CG 3.46Å; H54-F72 VanDerWaalsContact CE1-CG 3.46Å; H54-F72 WeakPolarHBondContact CE1-CG 3.44Å; H54-C81 VanDerWaalsContact CE1-CB 3.42Å; H54-C81 WeakPolarHBondContact CE1-CB 3.32Å; H54-C81 WeakPolarHBondContact ND1-CB 3.48Å; H54-C81 PolarHBondContact ND1-SG 2.94Å
55	I	61.8	Low	58.2	Low	55 Å²	55	96.2 Å²	96.2	28%	0.282	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	130.5	-175.4	-57.6	164.3	0	0	0	107.8	C52 K57 C66 E67	C52-I55 WeakPolarHBondContact CB-O 3.48Å; I55-K57 HydrophobicContact CG2-CG 4.22Å; I55-C66 CarbonylContact O-C 3.58Å; I55-C66 VanDerWaalsContact O-CA 3.22Å; I55-C66 WeakPolarHBondContact O-CA 3.48Å; I55-E67 HydrophobicContact CB-CB 3.95Å; I55-E67 WeakPolarHBondContact CB-O 3.43Å; I55-E67 HydrophobicContact CD1-CB 4.24Å; I55-E67 HydrophobicContact CG2-CB 4.24Å; I55-E67 PolarHBondContact N-O 2.93Å; I55-E67 PolarHBondContact O-N 2.85Å
56	C	67.1	Low	59.1	Low	43 Å²	43	94.6 Å²	94.6	29%	0.291	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120.2	176.1	-171.9	0	0	0	0	109	C45 C52 V64	C45-C56 HydrophobicContact CB-CB 3.85Å; C45-C56 WeakPolarHBondContact CB-SG 3.36Å; C45-C56 WeakPolarHBondContact SG-CB 3.45Å; C45-C56 CovalentContact SG-SG 2.04Å; C45-C56 PolarHBondContact SG-SG 3.26Å; C52-C56 HydrophobicContact CB-CB 3.97Å; C52-C56 VanDerWaalsContact SG-CB 3.57Å; C52-C56 VanDerWaalsContact SG-SG 3.61Å; C56-V64 WeakPolarHBondContact SG-CG1 3.14Å
57	K	63.5	Low	60	Low	99 Å²	99	92.3 Å²	92.3	43%	0.43	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	143.5	176.7	-69.5	-173.1	-179.2	171.8	0	110.3	I55 A65 E67	I55-K57 HydrophobicContact CG2-CG 4.22Å; K57-A65 PolarHBondContact N-O 3.36Å; K57-A65 PolarHBondContact O-N 2.93Å; K57-E67 WeakPolarHBondContact CD-OE1 3.39Å; K57-E67 VanDerWaalsContact CE-CD 3.48Å; K57-E67 WeakPolarHBondContact CE-OE1 3.43Å; K57-E67 WeakPolarHBondContact CE-OE2 3.16Å; K57-E67 IonicContact NZ-OE1 3.02Å; K57-E67 PolarHBondContact NZ-OE1 3.24Å; K57-E67 IonicContact NZ-OE2 2.76Å; K57-E67 PolarHBondContact NZ-OE2 3.12Å
58	E	60.3	Low	60.7	Low	121 Å²	121	88 Å²	88	57%	0.565	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	124.5	171.4	-69.7	175.4	-157.2	0	0	110	N44	N44-E58 HydrophobicContact CB-CG 4.2Å; N44-E58 WeakPolarHBondContact CB-OE1 3.34Å; N44-E58 PolarHBondContact ND2-OE1 3.32Å; N44-E58 PolarHBondContact ND2-OE2 3.16Å; N44-E58 VanDerWaalsContact ND2-OE2 3.08Å
59	S	58.3	Low	61.2	Low	57 Å²	57	81 Å²	81	40%	0.399	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	145.3	176.7	178.2	0	0	0	0	111.1	R61 G62 G63	S59-R61 PolarHBondContact O-N 3.26Å; S59-G62 PolarHBondContact O-N 3.18Å; S59-G63 WeakPolarHBondContact CB-O 3.28Å; S59-G63 PolarHBondContact N-O 3.39Å
60	H	54.6	Low	61.5	Low	203 Å²	203	78.5 Å²	78.5	94%	0.94	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-10.8	179.4	-65.5	-69.7	0	0	0	115.2
61	R	53.8	Low	61.6	Low	244 Å²	244	74.2 Å²	74.2	92%	0.921	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	12.4	175.7	-66.6	-172.7	178.4	-167.1	0.3	114.2	S59	S59-R61 PolarHBondContact O-N 3.26Å
62	G	55	Low	62	Low	80 Å²	80	74.9 Å²	74.9	83%	0.825	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	32	177.3	0	0	0	0	0	114.5	S59	S59-G62 PolarHBondContact O-N 3.18Å
63	G	61.2	Low	62.4	Low	36 Å²	36	79.7 Å²	79.7	37%	0.371	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	169.3	176.3	0	0	0	0	0	112.7	S59	S59-G63 WeakPolarHBondContact CB-O 3.28Å; S59-G63 PolarHBondContact N-O 3.39Å
64	V	62.4	Low	63	Low	63 Å²	63	80.7 Å²	80.7	38%	0.382	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	131.9	178	179.2	0	0	0	0	109.9	C56	C56-V64 WeakPolarHBondContact SG-CG1 3.14Å
65	A	68.3	Low	63.7	Low	45 Å²	45	78.9 Å²	78.9	37%	0.372	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.3	175.4	0	0	0	0	0	110.1	K57	K57-A65 PolarHBondContact N-O 3.36Å; K57-A65 PolarHBondContact O-N 2.93Å
66	C	72.1	Confident	64.1	Low	14 Å²	14	85.9 Å²	85.9	10%	0.095	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	142.5	-178.2	-53.7	0	0	0	0	111.6	C52 I55 L74 Q78	C52-C66 VanDerWaalsContact CA-SG 3.55Å; C52-C66 HydrophobicContact CB-CB 3.56Å; C52-C66 WeakPolarHBondContact CB-SG 3.16Å; C52-C66 VanDerWaalsContact SG-CA 3.51Å; C52-C66 WeakPolarHBondContact SG-CB 3.48Å; C52-C66 CovalentContact SG-SG 2.02Å; C52-C66 PolarHBondContact SG-SG 3.36Å; I55-C66 CarbonylContact O-C 3.58Å; I55-C66 VanDerWaalsContact O-CA 3.22Å; I55-C66 WeakPolarHBondContact O-CA 3.48Å; C66-L74 HydrophobicContact CB-CD1 3.97Å; C66-Q78 VanDerWaalsContact CB-O 3.25Å; C66-Q78 WeakPolarHBondContact CB-O 3.37Å; C66-Q78 PolarHBondContact SG-O 3.46Å; C66-Q78 VanDerWaalsContact SG-O 3.32Å
67	E	73.5	Confident	64.2	Low	84 Å²	84	87.6 Å²	87.6	39%	0.393	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	155.6	174.9	-75.9	178.7	-167.6	0	0	111	H54 I55 K57	H54-E67 WeakPolarHBondContact CB-O 3.49Å; I55-E67 HydrophobicContact CB-CB 3.95Å; I55-E67 WeakPolarHBondContact CB-O 3.43Å; I55-E67 HydrophobicContact CD1-CB 4.24Å; I55-E67 HydrophobicContact CG2-CB 4.24Å; I55-E67 PolarHBondContact N-O 2.93Å; I55-E67 PolarHBondContact O-N 2.85Å; K57-E67 WeakPolarHBondContact CD-OE1 3.39Å; K57-E67 VanDerWaalsContact CE-CD 3.48Å; K57-E67 WeakPolarHBondContact CE-OE1 3.43Å; K57-E67 WeakPolarHBondContact CE-OE2 3.16Å; K57-E67 IonicContact NZ-OE1 3.02Å; K57-E67 PolarHBondContact NZ-OE1 3.24Å; K57-E67 IonicContact NZ-OE2 2.76Å; K57-E67 PolarHBondContact NZ-OE2 3.12Å
68	C	69.5	Low	64.5	Low	29 Å²	29	89.7 Å²	89.7	20%	0.196	47%	0.469	C	S	.	.			trans	-109.5	150.6	-178.6	-60.5	0	0	0	0	112.7	F72 E73 L74 C81	C68-F72 HydrophobicContact CB-CB 4Å; C68-F72 WeakPolarHBondContact CB-O 3Å; C68-E73 VanDerWaalsContact SG-C 3.57Å; C68-L74 WeakPolarHBondContact SG-CA 3.37Å; C68-L74 WeakPolarHBondContact SG-CD1 3.45Å; C68-L74 PolarHBondContact SG-N 3.43Å; C68-C81 WeakPolarHBondContact CA-SG 3.23Å; C68-C81 HydrophobicContact CB-CB 3.84Å; C68-C81 WeakPolarHBondContact CB-SG 3.49Å; C68-C81 VanDerWaalsContact SG-CA 3.51Å; C68-C81 WeakPolarHBondContact SG-CB 3.34Å; C68-C81 CovalentContact SG-SG 2.03Å; C68-C81 PolarHBondContact SG-SG 3.31Å
69	R	55.3	Low	65	Low	74 Å²	74	88 Å²	88	28%	0.279	46%	0.457	S	S	.	.			trans	-66.5	156.6	172.6	-65.8	179.1	-178.4	177.6	2.7	110.8	H54 G71 F72	H54-R69 HydrophobicContact CB-CG 4.22Å; R69-G71 PolarHBondContact O-N 3.45Å; R69-F72 PolarHBondContact O-N 3.31Å
70	P	54	Low	65.5	Low	115 Å²	115	89 Å²	89	75%	0.747	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	134	172.9	-23.2	33.1	0	0	0	111.7
71	G	57.1	Low	66.4	Low	12 Å²	12	80.3 Å²	80.3	12%	0.124	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	1	-172	0	0	0	0	0	114.4	R69 T84	R69-G71 PolarHBondContact O-N 3.45Å; G71-T84 PolarHBondContact O-N 2.86Å; G71-T84 PolarHBondContact O-OG1 3Å
72	F	69.3	Low	67.3	Low	66 Å²	66	70.8 Å²	70.8	29%	0.289	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	144.4	170.9	-66.7	-108.5	0	0	0	111.3	H54 C68 R69 C81 I82 L83	H54-F72 AromaticContact CE1-CD1 3.44Å; H54-F72 VanDerWaalsContact CE1-CD1 3.44Å; H54-F72 WeakPolarHBondContact CE1-CD1 3.43Å; H54-F72 AromaticContact CE1-CD2 3.77Å; H54-F72 AromaticContact CE1-CE1 3.72Å; H54-F72 AromaticContact CE1-CG 3.46Å; H54-F72 VanDerWaalsContact CE1-CG 3.46Å; H54-F72 WeakPolarHBondContact CE1-CG 3.44Å; C68-F72 HydrophobicContact CB-CB 4Å; C68-F72 WeakPolarHBondContact CB-O 3Å; R69-F72 PolarHBondContact O-N 3.31Å; F72-C81 HydrophobicContact CB-CB 4.13Å; F72-C81 HydrophobicContact CD1-CB 4.34Å; F72-I82 CarbonylContact C-O 3.36Å; F72-I82 WeakPolarHBondContact CA-O 3.48Å; F72-I82 WeakPolarHBondContact CB-O 3.29Å; F72-I82 VanDerWaalsContact CD1-C 3.45Å; F72-L83 HydrophobicContact CD1-CB 3.74Å; F72-L83 HydrophobicContact CD1-CD1 4.14Å; F72-L83 HydrophobicContact CD2-CD1 3.9Å; F72-L83 HydrophobicContact CE1-CB 3.47Å; F72-L83 VanDerWaalsContact CE1-CB 3.47Å; F72-L83 HydrophobicContact CE1-CD1 3.69Å; F72-L83 HydrophobicContact CE1-CG 4.12Å; F72-L83 HydrophobicContact CE2-CD1 3.41Å; F72-L83 VanDerWaalsContact CE2-CD1 3.41Å; F72-L83 HydrophobicContact CG-CB 4.5Å; F72-L83 HydrophobicContact CG-CD1 4.25Å; F72-L83 HydrophobicContact CZ-CB 4.02Å; F72-L83 HydrophobicContact CZ-CD1 3.3Å; F72-L83 HydrophobicContact CZ-CG 4.16Å
73	E	73	Confident	67.7	Low	130 Å²	130	69.2 Å²	69.2	61%	0.607	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.5	149.7	174.8	-73.6	-169.1	171.2	0	0	111.9	C68 A75 C81 I82 T84	C68-E73 VanDerWaalsContact SG-C 3.57Å; E73-A75 PolarHBondContact O-N 3.28Å; E73-C81 CarbonylContact O-C 3.3Å; E73-C81 WeakPolarHBondContact O-CA 3.26Å; E73-I82 PolarHBondContact N-O 2.89Å; E73-I82 PolarHBondContact O-N 3.4Å; E73-T84 HydrophobicContact CB-CG2 4.29Å; E73-T84 HydrophobicContact CG-CG2 3.91Å
74	L	75.8	Confident	68.1	Low	71 Å²	71	68 Å²	68	37%	0.372	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	122.2	-177.7	-162.6	76	0	0	0	109.7	C66 C68 Q78	C66-L74 HydrophobicContact CB-CD1 3.97Å; C68-L74 WeakPolarHBondContact SG-CA 3.37Å; C68-L74 WeakPolarHBondContact SG-CD1 3.45Å; C68-L74 PolarHBondContact SG-N 3.43Å; L74-Q78 HydrophobicContact CD2-CB 4.21Å
75	A	71.1	Confident	68.2	Low	15 Å²	15	66.4 Å²	66.4	12%	0.124	34%	0.336	C	S	.	.			trans	-61.6	159.1	176.9	0	0	0	0	0	111.2	E73 N77 Q78 D80 I82	E73-A75 PolarHBondContact O-N 3.28Å; A75-N77 WeakPolarHBondContact CB-OD1 3.4Å; A75-N77 PolarHBondContact O-N 2.87Å; A75-Q78 PolarHBondContact O-N 3.43Å; A75-D80 HydrophobicContact CB-CB 3.98Å; A75-D80 WeakPolarHBondContact CB-O 3.34Å; A75-D80 PolarHBondContact N-O 3.33Å; A75-I82 HydrophobicContact CB-CD1 3.74Å; A75-I82 HydrophobicContact CB-CG1 3.9Å
76	R	70.7	Confident	67.8	Low	203 Å²	203	70.1 Å²	70.1	77%	0.766	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-21.3	-178.9	-71.2	-173.4	178.9	161.9	6.8	114.2	Q78 E100	R76-Q78 PolarHBondContact O-N 3.22Å; R76-E100 IonicContact CZ-OE1 3.04Å; R76-E100 IonicContact CZ-OE2 3.59Å; R76-E100 IonicContact NH1-OE2 3.17Å; R76-E100 IonicContact NH2-OE1 3.15Å; R76-E100 PolarHBondContact NH2-OE1 3.15Å; R76-E100 IonicContact NH2-OE2 2.67Å; R76-E100 PolarHBondContact NH2-OE2 3.47Å
77	N	69.2	Low	66.7	Low	79 Å²	79	75.6 Å²	75.6	42%	0.422	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	0.2	174.9	68.3	5.7	0	0	0	113.9	A75 R79 D80	A75-N77 WeakPolarHBondContact CB-OD1 3.4Å; A75-N77 PolarHBondContact O-N 2.87Å; N77-R79 WeakPolarHBondContact O-CG 2.99Å; N77-R79 PolarHBondContact O-N 3.3Å; N77-R79 VanDerWaalsContact O-N 3.16Å; N77-R79 PolarHBondContact OD1-N 3.07Å; N77-R79 VanDerWaalsContact OD1-N 3.1Å; N77-D80 PolarHBondContact ND2-OD2 2.94Å; N77-D80 PolarHBondContact OD1-N 3.18Å
78	Q	70.5	Confident	65.7	Low	142 Å²	142	74.9 Å²	74.9	66%	0.664	39%	0.388	S	S	*	.	S	Bend	trans	56.5	23.7	179.8	-58.7	-179.7	31	0	0	114.1	C66 L74 A75 R76	C66-Q78 VanDerWaalsContact CB-O 3.25Å; C66-Q78 WeakPolarHBondContact CB-O 3.37Å; C66-Q78 PolarHBondContact SG-O 3.46Å; C66-Q78 VanDerWaalsContact SG-O 3.32Å; L74-Q78 HydrophobicContact CD2-CB 4.21Å; A75-Q78 PolarHBondContact O-N 3.43Å; R76-Q78 PolarHBondContact O-N 3.22Å
79	R	69.4	Low	65.3	Low	85 Å²	85	76.7 Å²	76.7	32%	0.321	40%	0.395	S	S	.	.	S	Bend	trans	-134.2	-41.9	-174.5	-69.9	172.9	-175.6	-86.1	7.3	112.6	H50 C52 A53 N77	H50-R79 PolarHBondContact ND1-NH2 3.21Å; H50-R79 PolarHBondContact O-NH1 3.09Å; C52-R79 CarbonylContact C-O 3.55Å; C52-R79 WeakPolarHBondContact CA-O 3Å; A53-R79 PolarHBondContact N-O 3.14Å; N77-R79 WeakPolarHBondContact O-CG 2.99Å; N77-R79 PolarHBondContact O-N 3.3Å; N77-R79 VanDerWaalsContact O-N 3.16Å; N77-R79 PolarHBondContact OD1-N 3.07Å; N77-R79 VanDerWaalsContact OD1-N 3.1Å
80	D	68.9	Low	65.7	Low	79 Å²	79	73.2 Å²	73.2	42%	0.422	38%	0.382	S	S	.	.			trans	-91.9	157	-179.2	-63.5	-37.7	0	0	0	112.1	A75 N77	A75-D80 HydrophobicContact CB-CB 3.98Å; A75-D80 WeakPolarHBondContact CB-O 3.34Å; A75-D80 PolarHBondContact N-O 3.33Å; N77-D80 PolarHBondContact ND2-OD2 2.94Å; N77-D80 PolarHBondContact OD1-N 3.18Å
81	C	74.6	Confident	66.2	Low	21 Å²	21	69.2 Å²	69.2	14%	0.142	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	125.7	-179.5	-69.7	0	0	0	0	109.9	A53 H54 C68 F72 E73	A53-C81 HydrophobicContact CB-CB 4.12Å; H54-C81 VanDerWaalsContact CE1-CB 3.42Å; H54-C81 WeakPolarHBondContact CE1-CB 3.32Å; H54-C81 WeakPolarHBondContact ND1-CB 3.48Å; H54-C81 PolarHBondContact ND1-SG 2.94Å; C68-C81 WeakPolarHBondContact CA-SG 3.23Å; C68-C81 HydrophobicContact CB-CB 3.84Å; C68-C81 WeakPolarHBondContact CB-SG 3.49Å; C68-C81 VanDerWaalsContact SG-CA 3.51Å; C68-C81 WeakPolarHBondContact SG-CB 3.34Å; C68-C81 CovalentContact SG-SG 2.03Å; C68-C81 PolarHBondContact SG-SG 3.31Å; F72-C81 HydrophobicContact CB-CB 4.13Å; F72-C81 HydrophobicContact CD1-CB 4.34Å; E73-C81 CarbonylContact O-C 3.3Å; E73-C81 WeakPolarHBondContact O-CA 3.26Å
82	I	71.6	Confident	66.8	Low	44 Å²	44	69.2 Å²	69.2	23%	0.226	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	126.7	-175	-57.9	178.4	0	0	0	108.4	F72 E73 A75 E100	F72-I82 CarbonylContact C-O 3.36Å; F72-I82 WeakPolarHBondContact CA-O 3.48Å; F72-I82 WeakPolarHBondContact CB-O 3.29Å; F72-I82 VanDerWaalsContact CD1-C 3.45Å; E73-I82 PolarHBondContact N-O 2.89Å; E73-I82 PolarHBondContact O-N 3.4Å; A75-I82 HydrophobicContact CB-CD1 3.74Å; A75-I82 HydrophobicContact CB-CG1 3.9Å; I82-E100 WeakPolarHBondContact CD1-O 3.42Å
83	L	65.2	Low	66.5	Low	46 Å²	46	71.9 Å²	71.9	24%	0.241	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	141.9	178.8	-177.4	66.5	0	0	0	110.1	F72 G90 P103	F72-L83 HydrophobicContact CD1-CB 3.74Å; F72-L83 HydrophobicContact CD1-CD1 4.14Å; F72-L83 HydrophobicContact CD2-CD1 3.9Å; F72-L83 HydrophobicContact CE1-CB 3.47Å; F72-L83 VanDerWaalsContact CE1-CB 3.47Å; F72-L83 HydrophobicContact CE1-CD1 3.69Å; F72-L83 HydrophobicContact CE1-CG 4.12Å; F72-L83 HydrophobicContact CE2-CD1 3.41Å; F72-L83 VanDerWaalsContact CE2-CD1 3.41Å; F72-L83 HydrophobicContact CG-CB 4.5Å; F72-L83 HydrophobicContact CG-CD1 4.25Å; F72-L83 HydrophobicContact CZ-CB 4.02Å; F72-L83 HydrophobicContact CZ-CD1 3.3Å; F72-L83 HydrophobicContact CZ-CG 4.16Å; L83-G90 WeakPolarHBondContact CD2-O 3.34Å; L83-P103 HydrophobicContact CB-CG 4.09Å; L83-P103 HydrophobicContact CD2-CG 4.21Å; L83-P103 HydrophobicContact CG-CG 4.22Å; L83-P103 WeakPolarHBondContact O-CD 3.35Å
84	T	68.9	Low	66.3	Low	12 Å²	12	69.2 Å²	69.2	7%	0.074	36%	0.361	C	S	.	.			trans	-117.1	154	177.7	63.9	0	0	0	0	110.9	G71 E73 I86 D98	G71-T84 PolarHBondContact O-N 2.86Å; G71-T84 PolarHBondContact O-OG1 3Å; E73-T84 HydrophobicContact CB-CG2 4.29Å; E73-T84 HydrophobicContact CG-CG2 3.91Å; T84-I86 PolarHBondContact O-N 3.23Å; T84-I86 VanDerWaalsContact O-N 3.13Å; T84-D98 WeakPolarHBondContact CA-OD1 3.44Å
85	C	65.3	Low	66.3	Low	28 Å²	28	69.7 Å²	69.7	19%	0.189	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-5.3	-179.9	-59.5	0	0	0	0	113.1	H87 C96 E97 D98	C85-H87 PolarHBondContact O-N 3.03Å; C85-C96 HydrophobicContact CB-CB 3.85Å; C85-C96 WeakPolarHBondContact CB-SG 3.25Å; C85-C96 WeakPolarHBondContact SG-CB 3.27Å; C85-C96 CovalentContact SG-SG 2.03Å; C85-C96 PolarHBondContact SG-SG 3.22Å; C85-E97 VanDerWaalsContact SG-C 3.58Å; C85-E97 PolarHBondContact SG-N 2.81Å; C85-E97 VanDerWaalsContact SG-N 3.41Å; C85-D98 WeakPolarHBondContact CB-OD2 2.95Å; C85-D98 PolarHBondContact N-OD1 3.06Å; C85-D98 PolarHBondContact N-OD2 3.43Å; C85-D98 VanDerWaalsContact SG-CG 3.6Å; C85-D98 PolarHBondContact SG-OD1 3.16Å
86	I	58.2	Low	66.5	Low	124 Å²	124	70 Å²	70	64%	0.636	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-30	-173.1	-57.9	172.7	0	0	0	112.4	T84	T84-I86 PolarHBondContact O-N 3.23Å; T84-I86 VanDerWaalsContact O-N 3.13Å
87	H	49.2	Very low	66.8	Low	129 Å²	129	64.6 Å²	64.6	60%	0.597	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.9	100	176.7	-94.8	-80.6	0	0	0	110.9	C85	C85-H87 PolarHBondContact O-N 3.03Å
88	G	52.6	Low	66.9	Low	68 Å²	68	64.4 Å²	64.4	70%	0.701	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	60.6	172.8	0	0	0	0	0	115.2	G90 G91	G88-G90 PolarHBondContact O-N 2.77Å; G88-G91 PolarHBondContact O-N 3.12Å
89	N	62.5	Low	67	Low	67 Å²	67	60.1 Å²	60.1	36%	0.358	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	39.2	29.8	173.4	-150.7	25.2	0	0	0	115.9	G91 C92 H94 C96	N89-G91 PolarHBondContact O-N 3Å; N89-C92 PolarHBondContact ND2-O 3.37Å; N89-C92 VanDerWaalsContact ND2-O 3.11Å; N89-C92 VanDerWaalsContact O-CB 3.28Å; N89-C92 WeakPolarHBondContact O-CB 3.35Å; N89-C92 PolarHBondContact O-N 2.83Å; N89-H94 PolarHBondContact ND2-O 3.25Å; N89-C96 VanDerWaalsContact C-SG 3.52Å; N89-C96 VanDerWaalsContact O-CB 3.27Å; N89-C96 WeakPolarHBondContact O-CB 3.1Å; N89-C96 PolarHBondContact O-SG 3.47Å; N89-C96 VanDerWaalsContact O-SG 3.39Å; N89-C96 WeakPolarHBondContact OD1-CB 2.88Å; N89-C96 PolarHBondContact OD1-N 3.01Å
90	G	63.4	Low	66.7	Low	1 Å²	1	62.5 Å²	62.5	1%	0.01	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	49.7	22.9	-177.8	0	0	0	0	0	116.2	L83 G88 C96	L83-G90 WeakPolarHBondContact CD2-O 3.34Å; G88-G90 PolarHBondContact O-N 2.77Å; G90-C96 WeakPolarHBondContact CA-SG 3.45Å
91	G	63.3	Low	66.5	Low	32 Å²	32	66.3 Å²	66.3	33%	0.33	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	77	16	-174	0	0	0	0	0	115.5	G88 N89	G88-G91 PolarHBondContact O-N 3.12Å; N89-G91 PolarHBondContact O-N 3Å
92	C	70	Confident	66	Low	12 Å²	12	65.6 Å²	65.6	8%	0.081	37%	0.365	C	S	.	.			trans	-90.2	140.2	177.1	-59.2	0	0	0	0	112.7	N89 C96 C105	N89-C92 PolarHBondContact ND2-O 3.37Å; N89-C92 VanDerWaalsContact ND2-O 3.11Å; N89-C92 VanDerWaalsContact O-CB 3.28Å; N89-C92 WeakPolarHBondContact O-CB 3.35Å; N89-C92 PolarHBondContact O-N 2.83Å; C92-C96 HydrophobicContact CB-CB 4.09Å; C92-C105 WeakPolarHBondContact CA-SG 3.44Å; C92-C105 HydrophobicContact CB-CB 3.55Å; C92-C105 WeakPolarHBondContact CB-SG 3.23Å; C92-C105 WeakPolarHBondContact SG-CA 3.29Å; C92-C105 WeakPolarHBondContact SG-CB 3.46Å; C92-C105 CovalentContact SG-SG 2.02Å; C92-C105 PolarHBondContact SG-SG 3.15Å
93	Q	62.7	Low	66	Low	122 Å²	122	65.1 Å²	65.1	57%	0.57	37%	0.365	S	S	*	.	S	Bend	trans	-64.8	-38.5	176.5	-168.8	84	27.5	0	0	112.7	K118	Q93-K118 WeakPolarHBondContact CB-O 3.15Å; Q93-K118 PolarHBondContact N-O 3.25Å
94	H	69.9	Low	66.4	Low	74 Å²	74	67 Å²	67	34%	0.343	38%	0.375	S	S	.	.	S	Bend	trans	-121.1	-79.8	-174.3	-70	160.3	0	0	0	112.8	N89 C120	N89-H94 PolarHBondContact ND2-O 3.25Å; H94-C120 PolarHBondContact ND1-SG 3.32Å; H94-C120 VanDerWaalsContact ND1-SG 3.37Å
95	T	74.7	Confident	66.7	Low	80 Å²	80	66.7 Å²	66.7	49%	0.491	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	136.4	-175.9	-47	0	0	0	0	110.6	C105 R106	T95-C105 CarbonylContact O-C 3.53Å; T95-C105 VanDerWaalsContact O-CA 3.28Å; T95-C105 WeakPolarHBondContact O-CA 3.14Å; T95-R106 PolarHBondContact N-O 3Å; T95-R106 VanDerWaalsContact N-O 3.13Å; T95-R106 PolarHBondContact O-N 2.01Å
96	C	75.8	Confident	67.2	Low	21 Å²	21	72.2 Å²	72.2	14%	0.142	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	133.1	178.6	-173.6	0	0	0	0	110.5	C85 N89 G90 C92 P103	C85-C96 HydrophobicContact CB-CB 3.85Å; C85-C96 WeakPolarHBondContact CB-SG 3.25Å; C85-C96 WeakPolarHBondContact SG-CB 3.27Å; C85-C96 CovalentContact SG-SG 2.03Å; C85-C96 PolarHBondContact SG-SG 3.22Å; N89-C96 VanDerWaalsContact C-SG 3.52Å; N89-C96 VanDerWaalsContact O-CB 3.27Å; N89-C96 WeakPolarHBondContact O-CB 3.1Å; N89-C96 PolarHBondContact O-SG 3.47Å; N89-C96 VanDerWaalsContact O-SG 3.39Å; N89-C96 WeakPolarHBondContact OD1-CB 2.88Å; N89-C96 PolarHBondContact OD1-N 3.01Å; G90-C96 WeakPolarHBondContact CA-SG 3.45Å; C92-C96 HydrophobicContact CB-CB 4.09Å; C96-P103 WeakPolarHBondContact SG-CB 3.4Å
97	E	76.4	Confident	68	Low	90 Å²	90	67.8 Å²	67.8	42%	0.421	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	126.1	174.7	-173	176.3	-164	0	0	109.7	C85 P103 I104 R106	C85-E97 VanDerWaalsContact SG-C 3.58Å; C85-E97 PolarHBondContact SG-N 2.81Å; C85-E97 VanDerWaalsContact SG-N 3.41Å; E97-P103 WeakPolarHBondContact O-CA 3.26Å; E97-I104 PolarHBondContact N-O 3.33Å; E97-I104 PolarHBondContact O-N 3.14Å; E97-R106 IonicContact OE2-CZ 2.76Å; E97-R106 VanDerWaalsContact OE2-CZ 3.25Å; E97-R106 IonicContact OE2-NE 3.73Å; E97-R106 PolarHBondContact OE2-NE 3.3Å; E97-R106 IonicContact OE2-NH2 2.71Å; E97-R106 PolarHBondContact OE2-NH2 3.36Å
98	D	71.5	Confident	68.7	Low	75 Å²	75	65.5 Å²	65.5	40%	0.401	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	127.1	-179.9	-74.4	-42.6	0	0	0	111.2	T84 C85	T84-D98 WeakPolarHBondContact CA-OD1 3.44Å; C85-D98 WeakPolarHBondContact CB-OD2 2.95Å; C85-D98 PolarHBondContact N-OD1 3.06Å; C85-D98 PolarHBondContact N-OD2 3.43Å; C85-D98 VanDerWaalsContact SG-CG 3.6Å; C85-D98 PolarHBondContact SG-OD1 3.16Å
99	T	72.3	Confident	69.6	Low	53 Å²	53	68 Å²	68	33%	0.325	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	167.2	174.3	72.1	0	0	0	0	111.7	D101 G102 I104	T99-D101 PolarHBondContact O-N 3.48Å; T99-D101 VanDerWaalsContact O-N 3.09Å; T99-G102 PolarHBondContact N-O 3.48Å; T99-G102 VanDerWaalsContact N-O 3.09Å; T99-G102 PolarHBondContact O-N 3.13Å; T99-G102 PolarHBondContact OG1-O 3.31Å; T99-I104 HydrophobicContact CG2-CD1 3.52Å; T99-I104 HydrophobicContact CG2-CG1 3.85Å
100	E	63.6	Low	69.3	Low	134 Å²	134	73.9 Å²	73.9	63%	0.626	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.3	-177.8	-58.2	-159.1	153.3	0	0	113.7	R76 I82	R76-E100 IonicContact CZ-OE1 3.04Å; R76-E100 IonicContact CZ-OE2 3.59Å; R76-E100 IonicContact NH1-OE2 3.17Å; R76-E100 IonicContact NH2-OE1 3.15Å; R76-E100 PolarHBondContact NH2-OE1 3.15Å; R76-E100 IonicContact NH2-OE2 2.67Å; R76-E100 PolarHBondContact NH2-OE2 3.47Å; I82-E100 WeakPolarHBondContact CD1-O 3.42Å
101	D	63.8	Low	69.7	Low	159 Å²	159	77.1 Å²	77.1	85%	0.85	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	5.3	178.7	-62.4	-54.1	0	0	0	113.4	T99	T99-D101 PolarHBondContact O-N 3.48Å; T99-D101 VanDerWaalsContact O-N 3.09Å
102	G	66.1	Low	70.1	Confident	6 Å²	6	78.4 Å²	78.4	6%	0.062	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	120.8	-177.9	-177.9	0	0	0	0	0	115.2	T99	T99-G102 PolarHBondContact N-O 3.48Å; T99-G102 VanDerWaalsContact N-O 3.09Å; T99-G102 PolarHBondContact O-N 3.13Å; T99-G102 PolarHBondContact OG1-O 3.31Å
103	P	70.6	Confident	70.4	Confident	35 Å²	35	81.1 Å²	81.1	23%	0.227	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	126.9	-177.3	26.2	-21.4	0	0	0	109.8	L83 C96 E97	L83-P103 HydrophobicContact CB-CG 4.09Å; L83-P103 HydrophobicContact CD2-CG 4.21Å; L83-P103 HydrophobicContact CG-CG 4.22Å; L83-P103 WeakPolarHBondContact O-CD 3.35Å; C96-P103 WeakPolarHBondContact SG-CB 3.4Å; E97-P103 WeakPolarHBondContact O-CA 3.26Å
104	I	74.5	Confident	71.1	Confident	85 Å²	85	78.7 Å²	78.7	44%	0.436	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	125	176	-58.5	-177.9	0	0	0	109.2	E97 T99	E97-I104 PolarHBondContact N-O 3.33Å; E97-I104 PolarHBondContact O-N 3.14Å; T99-I104 HydrophobicContact CG2-CD1 3.52Å; T99-I104 HydrophobicContact CG2-CG1 3.85Å
105	C	75.1	Confident	71.4	Confident	6 Å²	6	81.2 Å²	81.2	4%	0.041	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	132.3	177	-51.7	0	0	0	0	111.2	C92 T95 L113 K117	C92-C105 WeakPolarHBondContact CA-SG 3.44Å; C92-C105 HydrophobicContact CB-CB 3.55Å; C92-C105 WeakPolarHBondContact CB-SG 3.23Å; C92-C105 WeakPolarHBondContact SG-CA 3.29Å; C92-C105 WeakPolarHBondContact SG-CB 3.46Å; C92-C105 CovalentContact SG-SG 2.02Å; C92-C105 PolarHBondContact SG-SG 3.15Å; T95-C105 CarbonylContact O-C 3.53Å; T95-C105 VanDerWaalsContact O-CA 3.28Å; T95-C105 WeakPolarHBondContact O-CA 3.14Å; C105-L113 HydrophobicContact CB-CD1 4.03Å; C105-L113 WeakPolarHBondContact O-CD2 3.2Å; C105-K117 VanDerWaalsContact CB-O 3.26Å; C105-K117 WeakPolarHBondContact CB-O 3.47Å; C105-K117 PolarHBondContact SG-O 3.09Å; C105-K117 VanDerWaalsContact SG-O 3.33Å
106	R	75.6	Confident	71.3	Confident	144 Å²	144	81.1 Å²	81.1	54%	0.543	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	140.3	171.8	-61.8	-175.6	-173.8	-130.9	7.2	110	T95 E97	T95-R106 PolarHBondContact N-O 3Å; T95-R106 VanDerWaalsContact N-O 3.13Å; T95-R106 PolarHBondContact O-N 2.01Å; E97-R106 IonicContact OE2-CZ 2.76Å; E97-R106 VanDerWaalsContact OE2-CZ 3.25Å; E97-R106 IonicContact OE2-NE 3.73Å; E97-R106 PolarHBondContact OE2-NE 3.3Å; E97-R106 IonicContact OE2-NH2 2.71Å; E97-R106 PolarHBondContact OE2-NH2 3.36Å
107	C	73.8	Confident	71	Confident	31 Å²	31	87.6 Å²	87.6	21%	0.209	44%	0.438	C	S	.	.			trans	-99.3	149	176.6	-61.8	0	0	0	0	111.1	L113 C120	C107-L113 WeakPolarHBondContact SG-CA 3.47Å; C107-L113 WeakPolarHBondContact SG-CD1 3.43Å; C107-C120 WeakPolarHBondContact CA-SG 3.19Å; C107-C120 HydrophobicContact CB-CB 3.76Å; C107-C120 WeakPolarHBondContact CB-SG 3.18Å; C107-C120 WeakPolarHBondContact SG-CA 3.47Å; C107-C120 WeakPolarHBondContact SG-CB 3.29Å; C107-C120 CovalentContact SG-SG 2.02Å; C107-C120 PolarHBondContact SG-SG 2.97Å
108	H	64.9	Low	70.6	Confident	81 Å²	81	88.4 Å²	88.4	38%	0.375	44%	0.441	S	S	.	.			trans	-58.8	152.4	169.6	-173.7	-90.1	0	0	0	111.2	R110 Y111	H108-R110 PolarHBondContact O-N 2.96Å; H108-Y111 HydrophobicContact CB-CD2 4.18Å; H108-Y111 PolarHBondContact O-N 2.88Å; H108-Y111 VanDerWaalsContact O-O 3.04Å
109	V	71.6	Confident	70.8	Confident	120 Å²	120	86.9 Å²	86.9	73%	0.727	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-21.6	-167.2	-163.8	0	0	0	0	114.9
110	R	54.8	Low	71	Confident	190 Å²	190	85 Å²	85	72%	0.717	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-6.2	177	-64.3	-163	-174.1	-172.5	2.9	114.9	H108 R123	H108-R110 PolarHBondContact O-N 2.96Å; R110-R123 PolarHBondContact O-N 2.81Å; R110-R123 VanDerWaalsContact O-N 3.1Å
111	Y	72.6	Confident	71.5	Confident	70 Å²	70	81.5 Å²	81.5	28%	0.275	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	144.2	-178	-59.2	-95.2	0	0	0	109.7	H108 C120 V121 E122	H108-Y111 HydrophobicContact CB-CD2 4.18Å; H108-Y111 PolarHBondContact O-N 2.88Å; H108-Y111 VanDerWaalsContact O-O 3.04Å; Y111-C120 HydrophobicContact CG-CB 4.46Å; Y111-V121 CarbonylContact C-O 3.53Å; Y111-V121 WeakPolarHBondContact CA-O 3.28Å; Y111-V121 WeakPolarHBondContact CB-O 3.42Å; Y111-V121 VanDerWaalsContact CD1-C 3.46Å; Y111-E122 HydrophobicContact CD1-CB 4.01Å; Y111-E122 HydrophobicContact CD1-CG 4.03Å; Y111-E122 HydrophobicContact CE1-CB 3.77Å; Y111-E122 HydrophobicContact CE1-CG 3.47Å; Y111-E122 VanDerWaalsContact CE1-CG 3.47Å; Y111-E122 WeakPolarHBondContact CE1-OE1 3.19Å; Y111-E122 VanDerWaalsContact CZ-OE1 3.31Å; Y111-E122 PolarHBondContact OH-OE1 2.82Å
112	T	72.5	Confident	71.6	Confident	59 Å²	59	79.9 Å²	79.9	36%	0.362	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	139.5	171.7	50.3	0	0	0	0	109.4	Q114 V121 R123	T112-Q114 PolarHBondContact O-N 2.9Å; T112-V121 PolarHBondContact N-O 3.11Å; T112-V121 PolarHBondContact O-N 3.37Å; T112-R123 HydrophobicContact CG2-CG 4.16Å
113	L	75.2	Confident	71.4	Confident	69 Å²	69	87.1 Å²	87.1	36%	0.361	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	126.1	175.4	-170.5	71.2	0	0	0	108.3	C105 C107 K117	C105-L113 HydrophobicContact CB-CD1 4.03Å; C105-L113 WeakPolarHBondContact O-CD2 3.2Å; C107-L113 WeakPolarHBondContact SG-CA 3.47Å; C107-L113 WeakPolarHBondContact SG-CD1 3.43Å; L113-K117 HydrophobicContact CD2-CB 4.37Å
114	Q	78	Confident	70.4	Confident	71 Å²	71	93 Å²	93	33%	0.332	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-64.3	163.2	175.7	-78	-151.8	47.4	0	0	111.5	T112 D116 K117 T119 V121	T112-Q114 PolarHBondContact O-N 2.9Å; Q114-D116 VanDerWaalsContact CB-OD1 3.23Å; Q114-D116 WeakPolarHBondContact CB-OD1 3.42Å; Q114-D116 PolarHBondContact O-N 3.12Å; Q114-D116 VanDerWaalsContact O-N 3.08Å; Q114-K117 PolarHBondContact O-N 2.84Å; Q114-T119 WeakPolarHBondContact CB-O 3.45Å; Q114-T119 PolarHBondContact N-O 3Å; Q114-V121 HydrophobicContact CG-CB 4.38Å; Q114-V121 HydrophobicContact CG-CG1 4.25Å; Q114-V121 HydrophobicContact CG-CG2 3.37Å; Q114-V121 VanDerWaalsContact NE2-CG1 3.27Å
115	P	76.1	Confident	69	Low	126 Å²	126	98.1 Å²	98.1	82%	0.818	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-20.1	177.9	-20.8	31.8	0	0	0	114	K117	P115-K117 PolarHBondContact O-N 3.15Å
116	D	71.8	Confident	67.2	Low	78 Å²	78	102.3 Å²	102.3	42%	0.417	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-6.1	174.8	71.9	-5.1	0	0	0	113.7	Q114 K118 T119	Q114-D116 VanDerWaalsContact CB-OD1 3.23Å; Q114-D116 WeakPolarHBondContact CB-OD1 3.42Å; Q114-D116 PolarHBondContact O-N 3.12Å; Q114-D116 VanDerWaalsContact O-N 3.08Å; D116-K118 PolarHBondContact O-N 3.27Å; D116-K118 VanDerWaalsContact O-N 3.17Å; D116-K118 PolarHBondContact OD1-N 3.04Å; D116-T119 PolarHBondContact OD1-N 3.47Å; D116-T119 VanDerWaalsContact OD2-CB 3.26Å; D116-T119 WeakPolarHBondContact OD2-CB 3.34Å; D116-T119 PolarHBondContact OD2-OG1 3.43Å
117	K	70.6	Confident	65.5	Low	157 Å²	157	102.1 Å²	102.1	68%	0.683	53%	0.525	S	S	*	.	S	Bend	trans	59.1	17.5	-179.7	-57.7	-177.7	179.8	179.9	0	114.6	C105 L113 Q114 P115	C105-K117 VanDerWaalsContact CB-O 3.26Å; C105-K117 WeakPolarHBondContact CB-O 3.47Å; C105-K117 PolarHBondContact SG-O 3.09Å; C105-K117 VanDerWaalsContact SG-O 3.33Å; L113-K117 HydrophobicContact CD2-CB 4.37Å; Q114-K117 PolarHBondContact O-N 2.84Å; P115-K117 PolarHBondContact O-N 3.15Å
118	K	68.5	Low	63.6	Low	108 Å²	108	105.5 Å²	105.5	47%	0.47	55%	0.549	S	S	.	.	S	Bend	trans	-132	-32	-176	-67.3	-177	-178.8	-173.8	0	113.8	Q93 D116	Q93-K118 WeakPolarHBondContact CB-O 3.15Å; Q93-K118 PolarHBondContact N-O 3.25Å; D116-K118 PolarHBondContact O-N 3.27Å; D116-K118 VanDerWaalsContact O-N 3.17Å; D116-K118 PolarHBondContact OD1-N 3.04Å
119	T	74.6	Confident	61.9	Low	42 Å²	42	111 Å²	111	26%	0.258	58%	0.575	S	S	.	*			trans	-101.9	141.7	-173.4	-48.9	0	0	0	0	111.1	Q114 D116	Q114-T119 WeakPolarHBondContact CB-O 3.45Å; Q114-T119 PolarHBondContact N-O 3Å; D116-T119 PolarHBondContact OD1-N 3.47Å; D116-T119 VanDerWaalsContact OD2-CB 3.26Å; D116-T119 WeakPolarHBondContact OD2-CB 3.34Å; D116-T119 PolarHBondContact OD2-OG1 3.43Å
120	C	77	Confident	60.1	Low	14 Å²	14	110.6 Å²	110.6	10%	0.095	58%	0.578	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.9	127.1	-179.8	-61.6	0	0	0	0	110.3	H94 C107 Y111	H94-C120 PolarHBondContact ND1-SG 3.32Å; H94-C120 VanDerWaalsContact ND1-SG 3.37Å; C107-C120 WeakPolarHBondContact CA-SG 3.19Å; C107-C120 HydrophobicContact CB-CB 3.76Å; C107-C120 WeakPolarHBondContact CB-SG 3.18Å; C107-C120 WeakPolarHBondContact SG-CA 3.47Å; C107-C120 WeakPolarHBondContact SG-CB 3.29Å; C107-C120 CovalentContact SG-SG 2.02Å; C107-C120 PolarHBondContact SG-SG 2.97Å; Y111-C120 HydrophobicContact CG-CB 4.46Å
121	V	74.2	Confident	59.1	Low	60 Å²	60	106.5 Å²	106.5	36%	0.364	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.9	147.2	178.9	-88.5	0	0	0	0	111.9	Y111 T112 Q114	Y111-V121 CarbonylContact C-O 3.53Å; Y111-V121 WeakPolarHBondContact CA-O 3.28Å; Y111-V121 WeakPolarHBondContact CB-O 3.42Å; Y111-V121 VanDerWaalsContact CD1-C 3.46Å; T112-V121 PolarHBondContact N-O 3.11Å; T112-V121 PolarHBondContact O-N 3.37Å; Q114-V121 HydrophobicContact CG-CB 4.38Å; Q114-V121 HydrophobicContact CG-CG1 4.25Å; Q114-V121 HydrophobicContact CG-CG2 3.37Å; Q114-V121 VanDerWaalsContact NE2-CG1 3.27Å
122	E	64.8	Low	57.1	Low	126 Å²	126	110.7 Å²	110.7	59%	0.589	61%	0.605	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-66.5	141.1	-172.8	-135.4	158.9	-133.6	0	0	110.3	Y111 D124	Y111-E122 HydrophobicContact CD1-CB 4.01Å; Y111-E122 HydrophobicContact CD1-CG 4.03Å; Y111-E122 HydrophobicContact CE1-CB 3.77Å; Y111-E122 HydrophobicContact CE1-CG 3.47Å; Y111-E122 VanDerWaalsContact CE1-CG 3.47Å; Y111-E122 WeakPolarHBondContact CE1-OE1 3.19Å; Y111-E122 VanDerWaalsContact CZ-OE1 3.31Å; Y111-E122 PolarHBondContact OH-OE1 2.82Å; E122-D124 PolarHBondContact O-N 2.63Å
123	R	63.5	Low	55.4	Low	157 Å²	157	116.2 Å²	116.2	59%	0.592	63%	0.627	S	S	*	*			trans	-82	113	-176.3	-158.8	-173.3	-76.1	-173.2	-2.3	108.9	R110 T112 E125	R110-R123 PolarHBondContact O-N 2.81Å; R110-R123 VanDerWaalsContact O-N 3.1Å; T112-R123 HydrophobicContact CG2-CG 4.16Å; R123-E125 PolarHBondContact O-N 3.46Å
124	D	48.6	Very low	53.1	Low	158 Å²	158	120.5 Å²	120.5	85%	0.845	65%	0.65	S	S	*	*			trans	-67.1	114.8	178.8	-72	-39	0	0	0	111.7	E122 A126	E122-D124 PolarHBondContact O-N 2.63Å; D124-A126 PolarHBondContact O-N 3.44Å
125	E	45.4	Very low	50.9	Low	194 Å²	194	121 Å²	121	91%	0.907	67%	0.666	S	S	*	*			trans	-83.6	95.7	168.8	-76.8	-172.4	161	0	0	110.6	R123	R123-E125 PolarHBondContact O-N 3.46Å
126	A	36.2	Very low	48.7	Very low	93 Å²	93	121.3 Å²	121.3	77%	0.769	67%	0.666	S	S	*	*			trans	62.1	124.5	144.9	0	0	0	0	0	121.5	D124 S128	D124-A126 PolarHBondContact O-N 3.44Å; A126-S128 PolarHBondContact O-N 3.07Å
127	T	41.1	Very low	47.4	Very low	141 Å²	141	122.7 Å²	122.7	87%	0.865	68%	0.681	S	S	*	*			trans	-64.2	113.4	151.9	46.4	0	0	0	0	111.2
128	S	34.2	Very low	45.5	Very low	102 Å²	102	120 Å²	120	71%	0.713	68%	0.682	S	S	*	*				168.9	116.1	120.3	65.3	0	0	0	0	109.5	A126	A126-S128 PolarHBondContact O-N 3.07Å
129	E	29.7	Very low	43.8	Very low	195 Å²	195	120.7 Å²	120.7	91%	0.911	70%	0.696	S	S	*	*				179.8	119.9	119.7	-97.1	176.1	-167.2	0	0	109.6
130	S	33.4	Very low	41.9	Very low	113 Å²	113	127.5 Å²	127.5	79%	0.79	73%	0.725	S	S	*	*			trans	-94.3	121.9	161.5	56.9	0	0	0	0	108.4
131	S	33.2	Very low	39.8	Very low	104 Å²	104	130.6 Å²	130.6	73%	0.727	75%	0.751	S	S	*	*				167.4	128.9	118.7	46.2	0	0	0	0	112.2
132	D	30.6	Very low	38.2	Very low	157 Å²	157	133.5 Å²	133.5	84%	0.84	77%	0.765	S	S	*	*			trans	75.8	120.7	145.4	-56	-21.5	0	0	0	122.8
133	H	36.5	Very low	37.1	Very low	176 Å²	176	135.1 Å²	135.1	82%	0.815	77%	0.77	S	S	*	*			trans	-61.1	144.4	168.1	-63.2	-82	0	0	0	113.3
134	N	27.5	Very low	36.2	Very low	159 Å²	159	138.6 Å²	138.6	85%	0.85	78%	0.783	S	S	*	*				166.1	155.6	99.3	-100.3	-30.4	0	0	0	113.9
135	A	31.7	Very low	35.9	Very low	82 Å²	82	137.3 Å²	137.3	68%	0.678	78%	0.781	S	S	*	*			trans	-18.3	153.4	168	0	0	0	0	0	118.3
136	T	30.6	Very low	35.4	Very low	131 Å²	131	138 Å²	138	80%	0.804	78%	0.78	S	S	*	*			cis	-170.6	137.6	45.4	-29	0	0	0	0	111.3
137	S	43.5	Very low	35.7	Very low	107 Å²	107	144.1 Å²	144.1	75%	0.748	78%	0.784	S	S	*	*			trans	18.5	117.5	149.9	174.7	0	0	0	0	120.1
138	S	30.9	Very low	35.7	Very low	100 Å²	100	148.6 Å²	148.6	70%	0.699	79%	0.785	S	S	*	*				175.3	139.1	124.4	39.3	0	0	0	0	114.4
139	T	33	Very low	36.2	Very low	124 Å²	124	150.1 Å²	150.1	76%	0.761	78%	0.784	S	S	*	*			trans	74.8	123.9	140.4	51.7	0	0	0	0	122.8
140	E	34.7	Very low	37.1	Very low	185 Å²	185	145.3 Å²	145.3	86%	0.864	77%	0.772	S	S	*	*				100.6	141.1	125.4	-74.4	-81.8	150.3	0	0	119.8
141	A	31.8	Very low	38	Very low	78 Å²	78	146.5 Å²	146.5	65%	0.645	77%	0.767	S	S	*	*			trans	-94.7	160.1	-163.4	0	0	0	0	0	112.8
142	D	42.2	Very low	39.1	Very low	121 Å²	121	145.7 Å²	145.7	65%	0.647	75%	0.752	S	S	*	*			trans	100.5	115.3	132.8	-117.2	-2.6	0	0	0	120.5
143	K	41.3	Very low	40.7	Very low	161 Å²	161	139.6 Å²	139.6	70%	0.7	72%	0.72	S	S	*	*			trans	83.5	111.1	137.7	-82.1	156	-167.2	157.2	0	121.2
144	R	44.4	Very low	42.3	Very low	230 Å²	230	132.5 Å²	132.5	87%	0.868	69%	0.69	S	S	*	*				79.2	97.2	120.1	-148.5	178.3	-148.7	175.9	4.8	112.4
145	V	41.4	Very low	44.4	Very low	131 Å²	131	129.2 Å²	129.2	79%	0.794	69%	0.685	S	S	*	*				-166.1	108	71.5	168.1	0	0	0	0	108.1
146	K	35.6	Very low	46.1	Very low	207 Å²	207	131 Å²	131	90%	0.9	68%	0.682	S	S	*	*			trans	-147.2	79	147.1	-129.3	175.4	-173.7	177	0	108	R148	K146-R148 VanDerWaalsContact C-N 3.3Å; K146-R148 PolarHBondContact O-N 3.2Å
147	R	42.2	Very low	47.7	Very low	222 Å²	222	130.5 Å²	130.5	84%	0.838	68%	0.675	S	S	*	*			trans	-59.6	99.7	157.8	-80.1	-175.5	-168.6	168.5	3	107.7	L149	R147-L149 HydrophobicContact CG-CD1 4.47Å
148	R	41.8	Very low	49.2	Very low	235 Å²	235	128.2 Å²	128.2	89%	0.887	65%	0.654	S	S	*	*			trans	-143.8	77	131.3	-69.7	-172.9	-175.2	175	-0.3	103.1	K146 S150	K146-R148 VanDerWaalsContact C-N 3.3Å; K146-R148 PolarHBondContact O-N 3.2Å; R148-S150 PolarHBondContact O-N 3.44Å
149	L	44.5	Very low	51.2	Low	134 Å²	134	123.7 Å²	123.7	70%	0.702	62%	0.623	S	S	*	*				14.3	73.5	87	-81.4	159.7	0	0	0	109.8	R147 M151	R147-L149 HydrophobicContact CG-CD1 4.47Å; L149-M151 PolarHBondContact O-N 3.43Å
150	S	49.2	Very low	53	Low	95 Å²	95	119.1 Å²	119.1	66%	0.664	60%	0.601	S	S	*	*			trans	-53.4	96.8	142.1	46.8	0	0	0	0	104.4	R148 E152	R148-S150 PolarHBondContact O-N 3.44Å; S150-E152 PolarHBondContact O-N 3.41Å
151	M	52.2	Low	55.2	Low	137 Å²	137	110.8 Å²	110.8	68%	0.675	56%	0.563	S	S	*	*			trans	-64.3	78.3	163.7	-75.7	179.2	97.9	0	0	105.1	L149 T153	L149-M151 PolarHBondContact O-N 3.43Å; M151-T153 HydrophobicContact CB-CG2 3.9Å; M151-T153 HydrophobicContact CE-CG2 4.44Å; M151-T153 PolarHBondContact O-N 3.04Å; M151-T153 PolarHBondContact O-OG1 3.47Å
152	E	55.5	Low	57.5	Low	87 Å²	87	112.3 Å²	112.3	41%	0.407	56%	0.56	S	S	.	*			trans	-56.5	103.9	152.3	-64.7	-172.5	137.4	0	0	102.6	S150 V172 K187	S150-E152 PolarHBondContact O-N 3.41Å; E152-V172 HydrophobicContact CB-CB 4.32Å; E152-V172 HydrophobicContact CB-CG1 3.89Å; E152-V172 HydrophobicContact CB-CG2 3.57Å; E152-V172 HydrophobicContact CG-CG2 4.4Å; E152-V172 VanDerWaalsContact O-CG1 3.23Å; E152-V172 WeakPolarHBondContact O-CG1 3.46Å; E152-K187 IonicContact OE1-NZ 3.41Å; E152-K187 PolarHBondContact OE1-NZ 3.19Å
153	T	64.7	Low	59.3	Low	30 Å²	30	108.7 Å²	108.7	18%	0.184	54%	0.544	C	S	.	.			trans	-127.7	146.9	176.1	44.6	0	0	0	0	105.7	M151 A155 L156 G159 D167	M151-T153 HydrophobicContact CB-CG2 3.9Å; M151-T153 HydrophobicContact CE-CG2 4.44Å; M151-T153 PolarHBondContact O-N 3.04Å; M151-T153 PolarHBondContact O-OG1 3.47Å; T153-A155 PolarHBondContact O-N 3.48Å; T153-L156 PolarHBondContact O-N 2.85Å; T153-G159 PolarHBondContact O-N 3.45Å; T153-D167 WeakPolarHBondContact CA-OD1 3.31Å
154	C	70.5	Confident	61.3	Low	27 Å²	27	104 Å²	104	18%	0.182	53%	0.529	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.1	179.2	-59.4	0	0	0	0	112.3	L156 N158 C165 K166 D167	C154-L156 PolarHBondContact O-N 2.98Å; C154-N158 WeakPolarHBondContact O-CA 3.39Å; C154-C165 WeakPolarHBondContact CA-SG 3.4Å; C154-C165 HydrophobicContact CB-CB 3.62Å; C154-C165 WeakPolarHBondContact CB-SG 3.23Å; C154-C165 WeakPolarHBondContact SG-CB 3.39Å; C154-C165 PolarHBondContact SG-O 2.73Å; C154-C165 CovalentContact SG-SG 2.03Å; C154-C165 PolarHBondContact SG-SG 2.75Å; C154-K166 WeakPolarHBondContact SG-CA 3.37Å; C154-K166 PolarHBondContact SG-N 2.85Å; C154-D167 PolarHBondContact N-OD1 3.42Å; C154-D167 PolarHBondContact SG-N 2.76Å; C154-D167 VanDerWaalsContact SG-N 3.37Å; C154-D167 PolarHBondContact SG-OD1 3.47Å
155	A	70.1	Confident	63.1	Low	89 Å²	89	93.9 Å²	93.9	74%	0.736	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-20.8	173.2	0	0	0	0	0	114.1	T153	T153-A155 PolarHBondContact O-N 3.48Å
156	L	67.2	Low	65.2	Low	120 Å²	120	94.1 Å²	94.1	63%	0.628	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.4	115.2	179.7	-65	176.7	0	0	0	110.5	T153 C154 N158 G159	T153-L156 PolarHBondContact O-N 2.85Å; C154-L156 PolarHBondContact O-N 2.98Å; L156-N158 PolarHBondContact O-N 3.36Å; L156-N158 VanDerWaalsContact O-N 3.15Å; L156-G159 PolarHBondContact O-N 3.07Å
157	N	66.1	Low	67.4	Low	121 Å²	121	88.7 Å²	88.7	65%	0.647	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	49.4	37.1	-179.7	-164.4	37.1	0	0	0	113.6	G159 G160	N157-G159 PolarHBondContact O-N 2.83Å; N157-G159 VanDerWaalsContact O-N 3.11Å; N157-G160 PolarHBondContact O-N 3.38Å
158	N	74.9	Confident	69.1	Low	59 Å²	59	81 Å²	81	32%	0.316	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	52.5	31.4	-175.1	-162.7	38.2	0	0	0	113.6	C154 L156 G160 C161 S163 C165	C154-N158 WeakPolarHBondContact O-CA 3.39Å; L156-N158 PolarHBondContact O-N 3.36Å; L156-N158 VanDerWaalsContact O-N 3.15Å; N158-G160 PolarHBondContact O-N 2.99Å; N158-G160 VanDerWaalsContact O-N 3.11Å; N158-C161 PolarHBondContact ND2-O 2.74Å; N158-C161 VanDerWaalsContact O-CB 3.26Å; N158-C161 WeakPolarHBondContact O-CB 3.46Å; N158-C161 PolarHBondContact O-N 3.21Å; N158-C161 PolarHBondContact O-SG 2.76Å; N158-S163 PolarHBondContact ND2-O 3.25Å; N158-C165 WeakPolarHBondContact O-CB 3.43Å; N158-C165 PolarHBondContact O-SG 3.2Å; N158-C165 WeakPolarHBondContact OD1-CB 3.27Å
159	G	71.9	Confident	70.5	Confident	4 Å²	4	76.3 Å²	76.3	4%	0.041	45%	0.446	C	S	.	.	G	3₁₀ helix	trans	63.8	12.9	-173.5	0	0	0	0	0	114.8	T153 L156 N157 C161 V172	T153-G159 PolarHBondContact O-N 3.45Å; L156-G159 PolarHBondContact O-N 3.07Å; N157-G159 PolarHBondContact O-N 2.83Å; N157-G159 VanDerWaalsContact O-N 3.11Å; G159-C161 VanDerWaalsContact C-N 3.31Å; G159-V172 WeakPolarHBondContact O-CG2 3.41Å
160	G	71.9	Confident	71.8	Confident	29 Å²	29	76.3 Å²	76.3	30%	0.299	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	76.6	13.3	-169.9	0	0	0	0	0	114.1	N157 N158 K187	N157-G160 PolarHBondContact O-N 3.38Å; N158-G160 PolarHBondContact O-N 2.99Å; N158-G160 VanDerWaalsContact O-N 3.11Å; G160-K187 WeakPolarHBondContact O-CB 3.41Å; G160-K187 WeakPolarHBondContact O-CG 3.44Å
161	C	79.7	Confident	73	Confident	10 Å²	10	73 Å²	73	7%	0.068	43%	0.432	C	S	.	.			trans	-82.8	139.6	176.7	-53.9	0	0	0	0	111.9	N158 G159 C165 C174	N158-C161 PolarHBondContact ND2-O 2.74Å; N158-C161 VanDerWaalsContact O-CB 3.26Å; N158-C161 WeakPolarHBondContact O-CB 3.46Å; N158-C161 PolarHBondContact O-N 3.21Å; N158-C161 PolarHBondContact O-SG 2.76Å; G159-C161 VanDerWaalsContact C-N 3.31Å; C161-C165 HydrophobicContact CB-CB 4.06Å; C161-C165 VanDerWaalsContact SG-CB 3.54Å; C161-C174 WeakPolarHBondContact CA-SG 3.46Å; C161-C174 HydrophobicContact CB-CB 3.58Å; C161-C174 WeakPolarHBondContact CB-SG 3.41Å; C161-C174 WeakPolarHBondContact SG-CA 3.2Å; C161-C174 WeakPolarHBondContact SG-CB 3.38Å; C161-C174 CovalentContact SG-SG 2.01Å; C161-C174 PolarHBondContact SG-SG 3.31Å
162	D	79.8	Confident	74.3	Confident	109 Å²	109	67.7 Å²	67.7	58%	0.583	41%	0.408	S	S	*	.	S	Bend	trans	-71.5	-28.9	178	-164.9	33.6	0	0	0	113.1	K187 C189	D162-K187 WeakPolarHBondContact CB-O 3.28Å; D162-K187 PolarHBondContact N-O 2.88Å; D162-C189 HydrophobicContact CB-CB 4.48Å; D162-C189 PolarHBondContact OD2-N 3.25Å
163	S	80.7	Confident	75.5	Confident	45 Å²	45	72.1 Å²	72.1	32%	0.315	42%	0.42	S	S	.	.	S	Bend	trans	-127.2	-89.5	178	-179.1	0	0	0	0	113.4	N158 P177	N158-S163 PolarHBondContact ND2-O 3.25Å; S163-P177 WeakPolarHBondContact OG-CD 3.38Å; S163-P177 WeakPolarHBondContact OG-CG 3.38Å
164	T	83.6	Confident	76.4	Confident	63 Å²	63	71.1 Å²	71.1	39%	0.387	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132.2	-172.8	-52.9	0	0	0	0	110.6	C174 S175	T164-C174 CarbonylContact O-C 3.59Å; T164-C174 VanDerWaalsContact O-CA 3.31Å; T164-C174 WeakPolarHBondContact O-CA 3.31Å; T164-S175 WeakPolarHBondContact CB-O 3.35Å; T164-S175 WeakPolarHBondContact CB-OG 3.03Å; T164-S175 PolarHBondContact N-O 3.08Å; T164-S175 VanDerWaalsContact N-O 3.09Å; T164-S175 PolarHBondContact O-N 3.13Å
165	C	82.5	Confident	77.1	Confident	17 Å²	17	72.1 Å²	72.1	12%	0.115	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	139.9	176.8	-177.5	0	0	0	0	111.6	C154 N158 C161	C154-C165 WeakPolarHBondContact CA-SG 3.4Å; C154-C165 HydrophobicContact CB-CB 3.62Å; C154-C165 WeakPolarHBondContact CB-SG 3.23Å; C154-C165 WeakPolarHBondContact SG-CB 3.39Å; C154-C165 PolarHBondContact SG-O 2.73Å; C154-C165 CovalentContact SG-SG 2.03Å; C154-C165 PolarHBondContact SG-SG 2.75Å; N158-C165 WeakPolarHBondContact O-CB 3.43Å; N158-C165 PolarHBondContact O-SG 3.2Å; N158-C165 WeakPolarHBondContact OD1-CB 3.27Å; C161-C165 HydrophobicContact CB-CB 4.06Å; C161-C165 VanDerWaalsContact SG-CB 3.54Å
166	K	85	Confident	77.8	Confident	137 Å²	137	69.2 Å²	69.2	60%	0.596	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.3	132.2	167.8	-64.9	-172	179.7	-179.7	0	112.2	C154 R173	C154-K166 WeakPolarHBondContact SG-CA 3.37Å; C154-K166 PolarHBondContact SG-N 2.85Å; K166-R173 PolarHBondContact N-O 2.81Å; K166-R173 PolarHBondContact O-N 3.49Å
167	D	81.1	Confident	78.6	Confident	93 Å²	93	66.1 Å²	66.1	50%	0.497	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	128.8	174.6	-69.9	-33.3	0	0	0	110.4	T153 C154	T153-D167 WeakPolarHBondContact CA-OD1 3.31Å; C154-D167 PolarHBondContact N-OD1 3.42Å; C154-D167 PolarHBondContact SG-N 2.76Å; C154-D167 VanDerWaalsContact SG-N 3.37Å; C154-D167 PolarHBondContact SG-OD1 3.47Å
168	T	78.6	Confident	79.4	Confident	61 Å²	61	68.1 Å²	68.1	37%	0.374	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	162	176.6	64.5	0	0	0	0	110.7	T170 G171 R173	T168-T170 PolarHBondContact O-N 3.2Å; T168-T170 PolarHBondContact OG1-OG1 2.93Å; T168-G171 CarbonylContact C-O 3.55Å; T168-G171 WeakPolarHBondContact CA-O 3.47Å; T168-G171 PolarHBondContact N-O 2.05Å; T168-G171 PolarHBondContact O-N 3.02Å; T168-G171 VanDerWaalsContact O-O 3.1Å; T168-G171 PolarHBondContact OG1-O 3.3Å; T168-R173 HydrophobicContact CG2-CB 4.06Å
169	S	71.9	Confident	79.8	Confident	135 Å²	135	66.1 Å²	66.1	94%	0.944	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-13.9	-179.4	53.2	0	0	0	0	114.3
170	T	71.1	Confident	80.4	Confident	135 Å²	135	68.4 Å²	68.4	83%	0.828	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	-1.4	178.6	52.1	0	0	0	0	113.9	T168	T168-T170 PolarHBondContact O-N 3.2Å; T168-T170 PolarHBondContact OG1-OG1 2.93Å
171	G	74.6	Confident	81.2	Confident	25 Å²	25	70.4 Å²	70.4	26%	0.258	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	136.9	-159.6	-177.6	0	0	0	0	0	113.7	T168	T168-G171 CarbonylContact C-O 3.55Å; T168-G171 WeakPolarHBondContact CA-O 3.47Å; T168-G171 PolarHBondContact N-O 2.05Å; T168-G171 PolarHBondContact O-N 3.02Å; T168-G171 VanDerWaalsContact O-O 3.1Å; T168-G171 PolarHBondContact OG1-O 3.3Å
172	V	78.2	Confident	81.5	Confident	26 Å²	26	73.4 Å²	73.4	16%	0.158	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	138.5	174.9	-75.8	0	0	0	0	111.5	E152 G159	E152-V172 HydrophobicContact CB-CB 4.32Å; E152-V172 HydrophobicContact CB-CG1 3.89Å; E152-V172 HydrophobicContact CB-CG2 3.57Å; E152-V172 HydrophobicContact CG-CG2 4.4Å; E152-V172 VanDerWaalsContact O-CG1 3.23Å; E152-V172 WeakPolarHBondContact O-CG1 3.46Å; G159-V172 WeakPolarHBondContact O-CG2 3.41Å
173	R	81.9	Confident	81.8	Confident	179 Å²	179	71.9 Å²	71.9	68%	0.675	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.2	116.8	172.4	-176.3	176.1	178.6	156.8	0.9	109.5	K166 T168	K166-R173 PolarHBondContact N-O 2.81Å; K166-R173 PolarHBondContact O-N 3.49Å; T168-R173 HydrophobicContact CG2-CB 4.06Å
174	C	83.8	Confident	81.9	Confident	9 Å²	9	76.4 Å²	76.4	6%	0.061	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	144.8	174	-51.4	0	0	0	0	111	C161 T164 L182 G186	C161-C174 WeakPolarHBondContact CA-SG 3.46Å; C161-C174 HydrophobicContact CB-CB 3.58Å; C161-C174 WeakPolarHBondContact CB-SG 3.41Å; C161-C174 WeakPolarHBondContact SG-CA 3.2Å; C161-C174 WeakPolarHBondContact SG-CB 3.38Å; C161-C174 CovalentContact SG-SG 2.01Å; C161-C174 PolarHBondContact SG-SG 3.31Å; T164-C174 CarbonylContact O-C 3.59Å; T164-C174 VanDerWaalsContact O-CA 3.31Å; T164-C174 WeakPolarHBondContact O-CA 3.31Å; C174-L182 HydrophobicContact CB-CD1 4.02Å; C174-G186 VanDerWaalsContact CB-O 3.29Å; C174-G186 WeakPolarHBondContact CB-O 3.38Å; C174-G186 PolarHBondContact SG-O 3.06Å
175	S	84.9	Confident	81.8	Confident	49 Å²	49	77.5 Å²	77.5	34%	0.343	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	140.4	168.4	56.3	0	0	0	0	109.9	T164	T164-S175 WeakPolarHBondContact CB-O 3.35Å; T164-S175 WeakPolarHBondContact CB-OG 3.03Å; T164-S175 PolarHBondContact N-O 3.08Å; T164-S175 VanDerWaalsContact N-O 3.09Å; T164-S175 PolarHBondContact O-N 3.13Å
176	C	85.1	Confident	81.6	Confident	27 Å²	27	78.2 Å²	78.2	18%	0.182	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-90.2	156.1	178	-62.9	0	0	0	0	111.5	F180 C189	C176-F180 HydrophobicContact CB-CB 3.76Å; C176-C189 WeakPolarHBondContact CA-SG 3.43Å; C176-C189 HydrophobicContact CB-CB 3.86Å; C176-C189 WeakPolarHBondContact CB-SG 3.23Å; C176-C189 WeakPolarHBondContact SG-CA 3.44Å; C176-C189 WeakPolarHBondContact SG-CB 3.02Å; C176-C189 CovalentContact SG-SG 2.04Å; C176-C189 PolarHBondContact SG-SG 3.1Å
177	P	83.6	Confident	81.3	Confident	56 Å²	56	74.8 Å²	74.8	36%	0.364	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-61.9	161.8	169.5	-15	30	0	0	0	111.1	S163 G179 F180	S163-P177 WeakPolarHBondContact OG-CD 3.38Å; S163-P177 WeakPolarHBondContact OG-CG 3.38Å; P177-G179 PolarHBondContact O-N 3.34Å; P177-F180 HydrophobicContact CB-CD2 4.16Å; P177-F180 HydrophobicContact CG-CD2 4.33Å; P177-F180 PolarHBondContact O-N 2.98Å; P177-F180 VanDerWaalsContact O-N 3.15Å
178	D	83.1	Confident	81.4	Confident	163 Å²	163	72.4 Å²	72.4	87%	0.872	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	139	169.4	-62.2	-39.9	0	0	0	110
179	G	82.3	Confident	81.7	Confident	16 Å²	16	70.5 Å²	70.5	17%	0.165	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	-0.1	-173.6	0	0	0	0	0	114.7	P177 I192	P177-G179 PolarHBondContact O-N 3.34Å; G179-I192 WeakPolarHBondContact O-CB 3.32Å; G179-I192 WeakPolarHBondContact O-CG1 3.49Å; G179-I192 PolarHBondContact O-N 2.98Å
180	F	85.5	Confident	82.4	Confident	53 Å²	53	70.1 Å²	70.1	23%	0.232	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	146.5	178.4	-64.2	-97.5	0	0	0	112.1	C176 P177 C189 K190 D191 V210	C176-F180 HydrophobicContact CB-CB 3.76Å; P177-F180 HydrophobicContact CB-CD2 4.16Å; P177-F180 HydrophobicContact CG-CD2 4.33Å; P177-F180 PolarHBondContact O-N 2.98Å; P177-F180 VanDerWaalsContact O-N 3.15Å; F180-C189 HydrophobicContact CB-CB 4.12Å; F180-C189 HydrophobicContact CD1-CB 4.29Å; F180-C189 HydrophobicContact CG-CB 4.46Å; F180-K190 CarbonylContact C-O 3.6Å; F180-K190 WeakPolarHBondContact CA-O 3.28Å; F180-D191 HydrophobicContact CD1-CB 4.24Å; F180-D191 HydrophobicContact CE1-CB 4.04Å; F180-V210 HydrophobicContact CE1-CG1 4.02Å; F180-V210 HydrophobicContact CZ-CG1 3.74Å
181	T	88	Confident	83.3	Confident	70 Å²	70	65.5 Å²	65.5	43%	0.429	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	140.3	173.8	47.7	0	0	0	0	110.9	Q183 K190 I192	T181-Q183 PolarHBondContact O-N 2.84Å; T181-K190 PolarHBondContact N-O 2.77Å; T181-K190 PolarHBondContact O-N 3.42Å; T181-K190 PolarHBondContact OG1-O 3.41Å; T181-I192 HydrophobicContact CG2-CD1 3.78Å; T181-I192 HydrophobicContact CG2-CG1 3.59Å
182	L	86.4	Confident	84	Confident	73 Å²	73	67.3 Å²	67.3	38%	0.382	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	125.9	175.9	-168.4	69.9	0	0	0	109.3	C174	C174-L182 HydrophobicContact CB-CD1 4.02Å
183	Q	86.3	Confident	84.5	Confident	77 Å²	77	68.8 Å²	68.8	36%	0.36	38%	0.375	S	S	.	.			trans	-71.6	166	-179.7	-71	-163.3	88.7	0	0	112	T181 D185 G186 S188 K190	T181-Q183 PolarHBondContact O-N 2.84Å; Q183-D185 WeakPolarHBondContact CB-OD1 3.37Å; Q183-D185 PolarHBondContact O-N 3.09Å; Q183-G186 PolarHBondContact O-N 3.45Å; Q183-S188 WeakPolarHBondContact CB-O 3.48Å; Q183-S188 PolarHBondContact N-O 3.03Å; Q183-K190 HydrophobicContact CG-CB 3.68Å
184	P	83.3	Confident	84.9	Confident	140 Å²	140	62 Å²	62	91%	0.909	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-17.9	-178	-24.4	34.8	0	0	0	114.7	G186	P184-G186 PolarHBondContact O-N 3.09Å
185	D	79.9	Confident	85.3	Confident	87 Å²	87	62.8 Å²	62.8	47%	0.465	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-9.5	171.9	59.9	15.3	0	0	0	113.6	Q183 K187 S188	Q183-D185 WeakPolarHBondContact CB-OD1 3.37Å; Q183-D185 PolarHBondContact O-N 3.09Å; D185-K187 PolarHBondContact O-N 2.77Å; D185-K187 PolarHBondContact OD1-N 2.89Å; D185-S188 PolarHBondContact OD1-N 2.67Å; D185-S188 VanDerWaalsContact OD2-CB 3.23Å; D185-S188 WeakPolarHBondContact OD2-CB 2.99Å; D185-S188 PolarHBondContact OD2-OG 3.14Å
186	G	78.1	Confident	85.5	Confident	32 Å²	32	68.5 Å²	68.5	33%	0.33	38%	0.378	S	S	.	.	S	Bend	trans	67.4	12.1	-179.7	0	0	0	0	0	113.9	C174 Q183 P184	C174-G186 VanDerWaalsContact CB-O 3.29Å; C174-G186 WeakPolarHBondContact CB-O 3.38Å; C174-G186 PolarHBondContact SG-O 3.06Å; Q183-G186 PolarHBondContact O-N 3.45Å; P184-G186 PolarHBondContact O-N 3.09Å
187	K	80	Confident	85.7	Confident	64 Å²	64	71.4 Å²	71.4	28%	0.278	40%	0.398	S	S	.	.	S	Bend	trans	-135.4	-38.5	-167.9	-76.7	-178.2	179.9	-177.4	0	113.8	E152 G160 D162 D185	E152-K187 IonicContact OE1-NZ 3.41Å; E152-K187 PolarHBondContact OE1-NZ 3.19Å; G160-K187 WeakPolarHBondContact O-CB 3.41Å; G160-K187 WeakPolarHBondContact O-CG 3.44Å; D162-K187 WeakPolarHBondContact CB-O 3.28Å; D162-K187 PolarHBondContact N-O 2.88Å; D185-K187 PolarHBondContact O-N 2.77Å; D185-K187 PolarHBondContact OD1-N 2.89Å
188	S	82.6	Confident	85.7	Confident	44 Å²	44	76.3 Å²	76.3	31%	0.308	42%	0.416	S	S	.	.			trans	-94.2	144	-177.1	-67.4	0	0	0	0	112.8	Q183 D185	Q183-S188 WeakPolarHBondContact CB-O 3.48Å; Q183-S188 PolarHBondContact N-O 3.03Å; D185-S188 PolarHBondContact OD1-N 2.67Å; D185-S188 VanDerWaalsContact OD2-CB 3.23Å; D185-S188 WeakPolarHBondContact OD2-CB 2.99Å; D185-S188 PolarHBondContact OD2-OG 3.14Å
189	C	86.2	Confident	85.9	Confident	20 Å²	20	71.6 Å²	71.6	14%	0.135	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	122.6	178.7	-65.3	0	0	0	0	110.4	D162 C176 F180	D162-C189 HydrophobicContact CB-CB 4.48Å; D162-C189 PolarHBondContact OD2-N 3.25Å; C176-C189 WeakPolarHBondContact CA-SG 3.43Å; C176-C189 HydrophobicContact CB-CB 3.86Å; C176-C189 WeakPolarHBondContact CB-SG 3.23Å; C176-C189 WeakPolarHBondContact SG-CA 3.44Å; C176-C189 WeakPolarHBondContact SG-CB 3.02Å; C176-C189 CovalentContact SG-SG 2.04Å; C176-C189 PolarHBondContact SG-SG 3.1Å; F180-C189 HydrophobicContact CB-CB 4.12Å; F180-C189 HydrophobicContact CD1-CB 4.29Å; F180-C189 HydrophobicContact CG-CB 4.46Å
190	K	85.9	Confident	86.1	Confident	127 Å²	127	71.1 Å²	71.1	55%	0.552	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	131.8	173.5	-174.2	-176.8	174.6	-171	0	109.7	F180 T181 Q183	F180-K190 CarbonylContact C-O 3.6Å; F180-K190 WeakPolarHBondContact CA-O 3.28Å; T181-K190 PolarHBondContact N-O 2.77Å; T181-K190 PolarHBondContact O-N 3.42Å; T181-K190 PolarHBondContact OG1-O 3.41Å; Q183-K190 HydrophobicContact CG-CB 3.68Å
191	D	89.4	Confident	86.2	Confident	38 Å²	38	71.9 Å²	71.9	20%	0.203	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.2	137.2	173.6	-175.5	58.2	0	0	0	112	F180 N208 G211	F180-D191 HydrophobicContact CD1-CB 4.24Å; F180-D191 HydrophobicContact CE1-CB 4.04Å; D191-N208 PolarHBondContact OD2-ND2 3.23Å; D191-G211 WeakPolarHBondContact OD1-CA 3.04Å; D191-G211 PolarHBondContact OD1-N 2.95Å
192	I	89.6	Confident	86.2	Confident	63 Å²	63	69.1 Å²	69.1	32%	0.323	38%	0.381	S	S	.	.			trans	-85.3	117.3	173.3	-60.6	171.4	0	0	0	107.1	G179 T181 E194	G179-I192 WeakPolarHBondContact O-CB 3.32Å; G179-I192 WeakPolarHBondContact O-CG1 3.49Å; G179-I192 PolarHBondContact O-N 2.98Å; T181-I192 HydrophobicContact CG2-CD1 3.78Å; T181-I192 HydrophobicContact CG2-CG1 3.59Å; I192-E194 HydrophobicContact CG2-CG 4.12Å; I192-E194 PolarHBondContact O-N 3.38Å; I192-E194 VanDerWaalsContact O-N 3.08Å
193	D	88.3	Confident	86.3	Confident	57 Å²	57	70.8 Å²	70.8	31%	0.305	39%	0.387	S	S	.	.			trans	-79.4	94	171	-163.3	-40.7	0	0	0	109.9	C195 E196 N208	D193-C195 PolarHBondContact O-N 3.46Å; D193-C195 WeakPolarHBondContact OD1-CA 3.48Å; D193-C195 VanDerWaalsContact OD1-CB 3.23Å; D193-C195 WeakPolarHBondContact OD1-CB 3.39Å; D193-C195 PolarHBondContact OD1-N 3.45Å; D193-E196 HydrophobicContact CB-CG 4.01Å; D193-E196 PolarHBondContact O-N 2.83Å; D193-E196 PolarHBondContact OD1-N 3.2Å; D193-N208 WeakPolarHBondContact CA-ND2 3.42Å; D193-N208 VanDerWaalsContact CG-ND2 3.3Å; D193-N208 WeakPolarHBondContact OD1-CB 3.45Å; D193-N208 PolarHBondContact OD2-ND2 2.89Å
194	E	91.2	Very high	86.4	Confident	38 Å²	38	68.2 Å²	68.2	18%	0.178	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-69.4	-17.7	179	-57.4	92.9	165.4	0	0	112.6	I192 E196 S197 G200 N208 F213	I192-E194 HydrophobicContact CG2-CG 4.12Å; I192-E194 PolarHBondContact O-N 3.38Å; I192-E194 VanDerWaalsContact O-N 3.08Å; E194-E196 VanDerWaalsContact C-N 3.33Å; E194-S197 PolarHBondContact O-N 2.81Å; E194-S197 VanDerWaalsContact O-O 3.12Å; E194-G200 WeakPolarHBondContact O-CA 3.41Å; E194-G200 PolarHBondContact O-N 2.89Å; E194-G200 VanDerWaalsContact O-N 3.13Å; E194-N208 PolarHBondContact OE2-OD1 3.01Å; E194-F213 HydrophobicContact CB-CB 4.25Å; E194-F213 HydrophobicContact CB-CD1 3.38Å; E194-F213 HydrophobicContact CB-CE1 3.86Å; E194-F213 HydrophobicContact CB-CG 3.84Å; E194-F213 HydrophobicContact CG-CD1 3.61Å; E194-F213 HydrophobicContact CG-CE1 4.01Å; E194-F213 HydrophobicContact CG-CG 4.48Å; E194-F213 WeakPolarHBondContact OE2-CD1 3.27Å; E194-F213 PolarHBondContact OE2-N 3.25Å
195	C	91.1	Very high	86.7	Confident	24 Å²	24	67 Å²	67	16%	0.162	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-73.2	-25.3	178.6	-61.6	0	0	0	0	112.7	D193 S197 N199 C206 K207 N208	D193-C195 PolarHBondContact O-N 3.46Å; D193-C195 WeakPolarHBondContact OD1-CA 3.48Å; D193-C195 VanDerWaalsContact OD1-CB 3.23Å; D193-C195 WeakPolarHBondContact OD1-CB 3.39Å; D193-C195 PolarHBondContact OD1-N 3.45Å; C195-S197 PolarHBondContact O-N 3Å; C195-N199 WeakPolarHBondContact O-CA 3.49Å; C195-N199 PolarHBondContact O-N 3.12Å; C195-C206 WeakPolarHBondContact CA-SG 3.26Å; C195-C206 HydrophobicContact CB-CB 3.68Å; C195-C206 WeakPolarHBondContact CB-SG 3.28Å; C195-C206 WeakPolarHBondContact SG-CB 3.29Å; C195-C206 CovalentContact SG-SG 2.04Å; C195-C206 PolarHBondContact SG-SG 2.95Å; C195-K207 PolarHBondContact SG-N 2.75Å; C195-K207 VanDerWaalsContact SG-N 3.37Å; C195-N208 PolarHBondContact SG-N 2.91Å
196	E	90.3	Very high	87.1	Confident	170 Å²	170	64.1 Å²	64.1	79%	0.794	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-65.8	-23.8	172.7	-67.6	-170.5	161.2	0	0	112.1	D193 E194	D193-E196 HydrophobicContact CB-CG 4.01Å; D193-E196 PolarHBondContact O-N 2.83Å; D193-E196 PolarHBondContact OD1-N 3.2Å; E194-E196 VanDerWaalsContact C-N 3.33Å
197	S	87.9	Confident	87.5	Confident	87 Å²	87	67.5 Å²	67.5	61%	0.608	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	105.7	179.8	-173.6	0	0	0	0	111.8	E194 C195 N199 G200	E194-S197 PolarHBondContact O-N 2.81Å; E194-S197 VanDerWaalsContact O-O 3.12Å; C195-S197 PolarHBondContact O-N 3Å; S197-N199 PolarHBondContact O-N 2.69Å; S197-N199 VanDerWaalsContact O-N 3.09Å; S197-G200 PolarHBondContact O-N 3.07Å
198	H	85.2	Confident	87.7	Confident	160 Å²	160	66.6 Å²	66.6	74%	0.741	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	49.1	39.7	177.1	-163.9	-83.9	0	0	0	112.9	G200 S201	H198-G200 PolarHBondContact O-N 3.34Å; H198-S201 WeakPolarHBondContact O-CA 2.97Å; H198-S201 PolarHBondContact O-N 3.2Å
199	N	87.4	Confident	87.7	Confident	63 Å²	63	66.6 Å²	66.6	34%	0.337	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	54.1	36.1	-177.4	-168.2	45.3	0	0	0	112.9	C195 S197 S201 C202 H204 C206	C195-N199 WeakPolarHBondContact O-CA 3.49Å; C195-N199 PolarHBondContact O-N 3.12Å; S197-N199 PolarHBondContact O-N 2.69Å; S197-N199 VanDerWaalsContact O-N 3.09Å; N199-S201 PolarHBondContact O-N 3.29Å; N199-C202 PolarHBondContact ND2-O 3.05Å; N199-C202 VanDerWaalsContact ND2-O 3.16Å; N199-C202 VanDerWaalsContact O-CB 3.27Å; N199-C202 WeakPolarHBondContact O-CB 3.44Å; N199-C202 PolarHBondContact O-N 3.14Å; N199-C202 PolarHBondContact O-SG 3.28Å; N199-C202 VanDerWaalsContact O-SG 3.34Å; N199-H204 PolarHBondContact ND2-O 3.31Å; N199-C206 WeakPolarHBondContact O-CB 3.28Å; N199-C206 WeakPolarHBondContact OD1-CB 3.38Å; N199-C206 PolarHBondContact OD1-N 2.88Å
200	G	85.1	Confident	87.4	Confident	6 Å²	6	71.8 Å²	71.8	6%	0.062	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	59.8	18.3	-174.6	0	0	0	0	0	113.7	E194 S197 H198 C202 F213 R228	E194-G200 WeakPolarHBondContact O-CA 3.41Å; E194-G200 PolarHBondContact O-N 2.89Å; E194-G200 VanDerWaalsContact O-N 3.13Å; S197-G200 PolarHBondContact O-N 3.07Å; H198-G200 PolarHBondContact O-N 3.34Å; G200-C202 PolarHBondContact O-N 3.27Å; G200-F213 WeakPolarHBondContact O-CE2 3.49Å; G200-F213 WeakPolarHBondContact O-CZ 3.47Å; G200-R228 PolarHBondContact O-NH1 3.45Å
201	S	87.9	Confident	87.2	Confident	70 Å²	70	66.8 Å²	66.8	49%	0.49	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	53.8	31.8	-166.3	-47.5	0	0	0	0	114.2	H198 N199	H198-S201 WeakPolarHBondContact O-CA 2.97Å; H198-S201 PolarHBondContact O-N 3.2Å; N199-S201 PolarHBondContact O-N 3.29Å
202	C	88.3	Confident	87	Confident	12 Å²	12	67.8 Å²	67.8	8%	0.081	37%	0.369	C	S	.	.			trans	-82.6	141.1	169.3	-56.9	0	0	0	0	110.5	N199 G200 C206 C215	N199-C202 PolarHBondContact ND2-O 3.05Å; N199-C202 VanDerWaalsContact ND2-O 3.16Å; N199-C202 VanDerWaalsContact O-CB 3.27Å; N199-C202 WeakPolarHBondContact O-CB 3.44Å; N199-C202 PolarHBondContact O-N 3.14Å; N199-C202 PolarHBondContact O-SG 3.28Å; N199-C202 VanDerWaalsContact O-SG 3.34Å; G200-C202 PolarHBondContact O-N 3.27Å; C202-C206 HydrophobicContact CB-CB 4.24Å; C202-C206 VanDerWaalsContact SG-CB 3.6Å; C202-C215 WeakPolarHBondContact CA-SG 3.32Å; C202-C215 HydrophobicContact CB-CB 3.63Å; C202-C215 WeakPolarHBondContact CB-SG 3.49Å; C202-C215 WeakPolarHBondContact SG-CA 3.12Å; C202-C215 WeakPolarHBondContact SG-CB 3.01Å; C202-C215 CovalentContact SG-SG 2.02Å; C202-C215 PolarHBondContact SG-SG 3.41Å
203	E	88.9	Confident	86.8	Confident	107 Å²	107	66.9 Å²	66.9	50%	0.5	36%	0.362	S	S	.	.	S	Bend	trans	-66.9	-41.5	177.8	-177.3	177.5	164.8	0	0	112.9	R228 S229 C230	E203-R228 PolarHBondContact N-O 2.91Å; E203-S229 WeakPolarHBondContact OE2-CA 3.42Å; E203-C230 PolarHBondContact OE2-N 2.96Å
204	H	88.6	Confident	86.5	Confident	24 Å²	24	66.2 Å²	66.2	11%	0.111	36%	0.358	C	S	.	.	S	Bend	trans	-109.9	-86.6	-178.2	-70	150.9	0	0	0	112.2	N199 N216 R218 F221 C230	N199-H204 PolarHBondContact ND2-O 3.31Å; H204-N216 WeakPolarHBondContact CB-O 3.41Å; H204-R218 HydrophobicContact CB-CG 4.48Å; H204-R218 PolarHBondContact CD2-NE 3.05Å; H204-R218 VanDerWaalsContact CD2-NE 3.35Å; H204-R218 PolarHBondContact CD2-NH2 3.34Å; H204-R218 PolarHBondContact ND1-N 2.89Å; H204-R218 VanDerWaalsContact NE2-CZ 3.33Å; H204-R218 PolarHBondContact NE2-NE 3.25Å; H204-R218 PolarHBondContact NE2-NH2 3.49Å; H204-F221 AromaticContact CE1-CG 4Å; H204-C230 VanDerWaalsContact CE1-CB 3.47Å; H204-C230 WeakPolarHBondContact CE1-CB 3.31Å; H204-C230 VanDerWaalsContact ND1-CB 3.34Å; H204-C230 WeakPolarHBondContact ND1-CB 3.46Å; H204-C230 PolarHBondContact ND1-SG 3.13Å
205	F	88.4	Confident	86.2	Confident	115 Å²	115	64.7 Å²	64.7	50%	0.504	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	139.3	-174.6	-53.7	-66.1	0	0	0	111.1	C215 N216 R218	F205-C215 CarbonylContact O-C 3.59Å; F205-C215 WeakPolarHBondContact O-CA 3.18Å; F205-N216 HydrophobicContact CB-CB 4.31Å; F205-N216 PolarHBondContact N-O 3.26Å; F205-N216 PolarHBondContact O-N 2.99Å; F205-R218 HydrophobicContact CD2-CG 4.48Å; F205-R218 HydrophobicContact CE2-CB 4.41Å; F205-R218 HydrophobicContact CE2-CG 3.5Å; F205-R218 VanDerWaalsContact CE2-CG 3.5Å; F205-R218 HydrophobicContact CZ-CG 3.83Å
206	C	89.8	Confident	85.8	Confident	25 Å²	25	64.4 Å²	64.4	17%	0.169	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	140.7	171.1	-171.7	0	0	0	0	110.4	C195 N199 C202	C195-C206 WeakPolarHBondContact CA-SG 3.26Å; C195-C206 HydrophobicContact CB-CB 3.68Å; C195-C206 WeakPolarHBondContact CB-SG 3.28Å; C195-C206 WeakPolarHBondContact SG-CB 3.29Å; C195-C206 CovalentContact SG-SG 2.04Å; C195-C206 PolarHBondContact SG-SG 2.95Å; N199-C206 WeakPolarHBondContact O-CB 3.28Å; N199-C206 WeakPolarHBondContact OD1-CB 3.38Å; N199-C206 PolarHBondContact OD1-N 2.88Å; C202-C206 HydrophobicContact CB-CB 4.24Å; C202-C206 VanDerWaalsContact SG-CB 3.6Å
207	K	86.4	Confident	85.5	Confident	104 Å²	104	56.9 Å²	56.9	45%	0.452	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	118.8	171.7	175.6	175	162.9	-135.5	0	109.6	C195 F213 E214	C195-K207 PolarHBondContact SG-N 2.75Å; C195-K207 VanDerWaalsContact SG-N 3.37Å; K207-F213 WeakPolarHBondContact O-CA 3.45Å; K207-E214 HydrophobicContact CB-CG 3.93Å; K207-E214 HydrophobicContact CD-CG 4.43Å; K207-E214 VanDerWaalsContact CD-OE1 3.32Å; K207-E214 WeakPolarHBondContact CD-OE1 3.36Å; K207-E214 WeakPolarHBondContact CE-OE1 3.42Å; K207-E214 HydrophobicContact CG-CG 4.32Å; K207-E214 PolarHBondContact N-O 2.84Å; K207-E214 IonicContact NZ-OE1 2.61Å; K207-E214 PolarHBondContact NZ-OE1 2.04Å; K207-E214 PolarHBondContact O-N 2.93Å
208	N	83.6	Confident	85.4	Confident	44 Å²	44	59.1 Å²	59.1	24%	0.235	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	141.3	177.4	-171.4	29.9	0	0	0	110.7	D191 D193 E194 C195 S212	D191-N208 PolarHBondContact OD2-ND2 3.23Å; D193-N208 WeakPolarHBondContact CA-ND2 3.42Å; D193-N208 VanDerWaalsContact CG-ND2 3.3Å; D193-N208 WeakPolarHBondContact OD1-CB 3.45Å; D193-N208 PolarHBondContact OD2-ND2 2.89Å; E194-N208 PolarHBondContact OE2-OD1 3.01Å; C195-N208 PolarHBondContact SG-N 2.91Å; N208-S212 PolarHBondContact OD1-O 3.18Å
209	T	81.7	Confident	85.2	Confident	45 Å²	45	58.4 Å²	58.4	28%	0.276	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	160.2	177.7	62.3	0	0	0	0	109.3	G211 S212 E214	T209-G211 PolarHBondContact O-N 3.06Å; T209-S212 CarbonylContact C-O 3.54Å; T209-S212 WeakPolarHBondContact CA-O 3Å; T209-S212 WeakPolarHBondContact CB-O 3.44Å; T209-S212 PolarHBondContact N-O 2.61Å; T209-S212 PolarHBondContact O-N 2.6Å; T209-S212 VanDerWaalsContact OG1-C 3.23Å; T209-S212 PolarHBondContact OG1-O 2.76Å; T209-E214 HydrophobicContact CG2-CG 4.18Å
210	V	81.4	Confident	84.8	Confident	129 Å²	129	56 Å²	56	78%	0.782	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	112.7	-177.6	179.3	0	0	0	0	110	F180	F180-V210 HydrophobicContact CE1-CG1 4.02Å; F180-V210 HydrophobicContact CZ-CG1 3.74Å
211	G	81.8	Confident	84.7	Confident	21 Å²	21	57.1 Å²	57.1	22%	0.216	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.2	7	-179.4	0	0	0	0	0	115.8	D191 T209	D191-G211 WeakPolarHBondContact OD1-CA 3.04Å; D191-G211 PolarHBondContact OD1-N 2.95Å; T209-G211 PolarHBondContact O-N 3.06Å
212	S	85	Confident	84.3	Confident	59 Å²	59	55.3 Å²	55.3	41%	0.413	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.6	176.9	-177.3	-174.4	0	0	0	0	111	N208 T209	N208-S212 PolarHBondContact OD1-O 3.18Å; T209-S212 CarbonylContact C-O 3.54Å; T209-S212 WeakPolarHBondContact CA-O 3Å; T209-S212 WeakPolarHBondContact CB-O 3.44Å; T209-S212 PolarHBondContact N-O 2.61Å; T209-S212 PolarHBondContact O-N 2.6Å; T209-S212 VanDerWaalsContact OG1-C 3.23Å; T209-S212 PolarHBondContact OG1-O 2.76Å
213	F	84.9	Confident	83.9	Confident	44 Å²	44	55.5 Å²	55.5	19%	0.193	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	163.3	167.5	66.8	-73.9	0	0	0	111.9	E194 G200 K207	E194-F213 HydrophobicContact CB-CB 4.25Å; E194-F213 HydrophobicContact CB-CD1 3.38Å; E194-F213 HydrophobicContact CB-CE1 3.86Å; E194-F213 HydrophobicContact CB-CG 3.84Å; E194-F213 HydrophobicContact CG-CD1 3.61Å; E194-F213 HydrophobicContact CG-CE1 4.01Å; E194-F213 HydrophobicContact CG-CG 4.48Å; E194-F213 WeakPolarHBondContact OE2-CD1 3.27Å; E194-F213 PolarHBondContact OE2-N 3.25Å; G200-F213 WeakPolarHBondContact O-CE2 3.49Å; G200-F213 WeakPolarHBondContact O-CZ 3.47Å; K207-F213 WeakPolarHBondContact O-CA 3.45Å
214	E	82.4	Confident	83.3	Confident	44 Å²	44	53 Å²	53	21%	0.206	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133	173.2	66.2	-177.8	171.5	0	0	111.3	K207 T209	K207-E214 HydrophobicContact CB-CG 3.93Å; K207-E214 HydrophobicContact CD-CG 4.43Å; K207-E214 VanDerWaalsContact CD-OE1 3.32Å; K207-E214 WeakPolarHBondContact CD-OE1 3.36Å; K207-E214 WeakPolarHBondContact CE-OE1 3.42Å; K207-E214 HydrophobicContact CG-CG 4.32Å; K207-E214 PolarHBondContact N-O 2.84Å; K207-E214 IonicContact NZ-OE1 2.61Å; K207-E214 PolarHBondContact NZ-OE1 2.04Å; K207-E214 PolarHBondContact O-N 2.93Å; T209-E214 HydrophobicContact CG2-CG 4.18Å
215	C	85.3	Confident	82.5	Confident	5 Å²	5	53.5 Å²	53.5	3%	0.034	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	140.5	172.3	-59.5	0	0	0	0	110.5	C202 F205 L223 E227 N851	C202-C215 WeakPolarHBondContact CA-SG 3.32Å; C202-C215 HydrophobicContact CB-CB 3.63Å; C202-C215 WeakPolarHBondContact CB-SG 3.49Å; C202-C215 WeakPolarHBondContact SG-CA 3.12Å; C202-C215 WeakPolarHBondContact SG-CB 3.01Å; C202-C215 CovalentContact SG-SG 2.02Å; C202-C215 PolarHBondContact SG-SG 3.41Å; F205-C215 CarbonylContact O-C 3.59Å; F205-C215 WeakPolarHBondContact O-CA 3.18Å; C215-L223 HydrophobicContact CB-CD1 3.94Å; C215-E227 WeakPolarHBondContact CB-O 3.43Å; C215-E227 PolarHBondContact SG-O 3.37Å; C215-N851 PolarHBondContact O-ND2 3.24Å; C215-N851 PolarHBondContact O-OD1 3.19Å; C215-N851 VanDerWaalsContact O-OD1 3.08Å
216	N	82.4	Confident	82	Confident	18 Å²	18	51.1 Å²	51.1	10%	0.096	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	145.1	176.5	-63.2	-45	0	0	0	110.7	H204 F205 N851	H204-N216 WeakPolarHBondContact CB-O 3.41Å; F205-N216 HydrophobicContact CB-CB 4.31Å; F205-N216 PolarHBondContact N-O 3.26Å; F205-N216 PolarHBondContact O-N 2.99Å; N216-N851 PolarHBondContact OD1-OD1 3.23Å
217	C	84.1	Confident	81.4	Confident	13 Å²	13	53.9 Å²	53.9	9%	0.088	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-97.3	159	179.5	-61.4	0	0	0	0	112.8	F221 K222 C230	C217-F221 HydrophobicContact CB-CB 3.82Å; C217-F221 WeakPolarHBondContact CB-O 3.25Å; C217-K222 VanDerWaalsContact SG-C 3.55Å; C217-C230 WeakPolarHBondContact CA-SG 3.12Å; C217-C230 HydrophobicContact CB-CB 3.89Å; C217-C230 WeakPolarHBondContact CB-SG 3.24Å; C217-C230 VanDerWaalsContact SG-CA 3.58Å; C217-C230 WeakPolarHBondContact SG-CB 3.44Å; C217-C230 CovalentContact SG-SG 2.04Å; C217-C230 PolarHBondContact SG-SG 2.88Å
218	R	85.4	Confident	81.3	Confident	133 Å²	133	53.4 Å²	53.4	50%	0.502	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-63.6	156.5	169.6	-72.5	-175.8	-79.9	-157.3	0.7	110.4	H204 F205 G220 F221	H204-R218 HydrophobicContact CB-CG 4.48Å; H204-R218 PolarHBondContact CD2-NE 3.05Å; H204-R218 VanDerWaalsContact CD2-NE 3.35Å; H204-R218 PolarHBondContact CD2-NH2 3.34Å; H204-R218 PolarHBondContact ND1-N 2.89Å; H204-R218 VanDerWaalsContact NE2-CZ 3.33Å; H204-R218 PolarHBondContact NE2-NE 3.25Å; H204-R218 PolarHBondContact NE2-NH2 3.49Å; F205-R218 HydrophobicContact CD2-CG 4.48Å; F205-R218 HydrophobicContact CE2-CB 4.41Å; F205-R218 HydrophobicContact CE2-CG 3.5Å; F205-R218 VanDerWaalsContact CE2-CG 3.5Å; F205-R218 HydrophobicContact CZ-CG 3.83Å; R218-G220 PolarHBondContact O-N 3.25Å; R218-F221 HydrophobicContact CB-CD2 4.01Å; R218-F221 WeakPolarHBondContact O-CB 3.43Å; R218-F221 PolarHBondContact O-N 3.28Å
219	K	80.8	Confident	81.4	Confident	146 Å²	146	53.3 Å²	53.3	64%	0.635	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	134.5	174	-67.6	-170.6	176.5	-169.3	0	109.9
220	G	78	Confident	81.6	Confident	12 Å²	12	51.7 Å²	51.7	12%	0.124	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	2.8	-175.2	0	0	0	0	0	114.1	R218 I233	R218-G220 PolarHBondContact O-N 3.25Å; G220-I233 WeakPolarHBondContact O-CB 3.43Å; G220-I233 WeakPolarHBondContact O-CG1 3.06Å; G220-I233 PolarHBondContact O-N 3.14Å
221	F	83.1	Confident	81.8	Confident	30 Å²	30	49.9 Å²	49.9	13%	0.132	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	142.7	177.7	-63.7	-101.7	0	0	0	110.7	H204 C217 R218 C230 Q231 D232 P250 G251	H204-F221 AromaticContact CE1-CG 4Å; C217-F221 HydrophobicContact CB-CB 3.82Å; C217-F221 WeakPolarHBondContact CB-O 3.25Å; R218-F221 HydrophobicContact CB-CD2 4.01Å; R218-F221 WeakPolarHBondContact O-CB 3.43Å; R218-F221 PolarHBondContact O-N 3.28Å; F221-C230 HydrophobicContact CB-CB 4.29Å; F221-Q231 CarbonylContact C-O 3.54Å; F221-Q231 VanDerWaalsContact CA-O 3.26Å; F221-Q231 WeakPolarHBondContact CA-O 3.41Å; F221-D232 HydrophobicContact CD1-CB 4.16Å; F221-D232 HydrophobicContact CE1-CB 3.97Å; F221-P250 HydrophobicContact CZ-CB 4.21Å; F221-G251 VanDerWaalsContact CE2-CA 3.47Å
222	K	79.1	Confident	82.1	Confident	32 Å²	32	50.5 Å²	50.5	14%	0.139	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	150.1	175.5	65.9	179.9	176.3	-178.5	0	111.8	C217 C230 Q231 I233 D858 L861	C217-K222 VanDerWaalsContact SG-C 3.55Å; K222-C230 CarbonylContact O-C 3.48Å; K222-C230 WeakPolarHBondContact O-CA 3.31Å; K222-Q231 HydrophobicContact CG-CB 4.2Å; K222-Q231 WeakPolarHBondContact CG-O 3.35Å; K222-Q231 PolarHBondContact N-O 3.24Å; K222-Q231 PolarHBondContact O-N 3.11Å; K222-I233 HydrophobicContact CB-CD1 4.41Å; K222-I233 HydrophobicContact CB-CG1 4.12Å; K222-I233 HydrophobicContact CG-CG1 4.33Å; K222-D858 HydrophobicContact CD-CB 4.44Å; K222-D858 WeakPolarHBondContact CD-OD2 3.08Å; K222-D858 WeakPolarHBondContact CE-OD2 3.46Å; K222-D858 IonicContact NZ-OD2 3.51Å; K222-D858 PolarHBondContact NZ-OD2 3Å; K222-L861 HydrophobicContact CD-CD1 4Å
223	L	80.3	Confident	82	Confident	15 Å²	15	47.9 Å²	47.9	8%	0.079	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	132.7	174.9	-164.7	73	0	0	0	110.7	C215 E227 N851	C215-L223 HydrophobicContact CB-CD1 3.94Å; L223-E227 HydrophobicContact CD2-CB 4.33Å; L223-N851 HydrophobicContact CD2-CB 4.49Å; L223-N851 WeakPolarHBondContact CD2-ND2 3.4Å
224	L	76.1	Confident	81.8	Confident	54 Å²	54	49.3 Å²	49.3	28%	0.283	24%	0.24	S	C	.	.			trans	-78.4	172.8	178.6	-74.4	173.4	0	0	0	112.6	D226 E227 S229 Q231	L224-D226 VanDerWaalsContact CB-OD1 3.28Å; L224-D226 WeakPolarHBondContact CB-OD1 3.44Å; L224-D226 PolarHBondContact O-N 3.19Å; L224-D226 VanDerWaalsContact O-N 3.13Å; L224-E227 PolarHBondContact O-N 3.4Å; L224-S229 WeakPolarHBondContact CB-O 3.09Å; L224-S229 PolarHBondContact N-O 3.13Å; L224-Q231 HydrophobicContact CD1-CB 4.1Å; L224-Q231 HydrophobicContact CD2-CB 3.79Å; L224-Q231 HydrophobicContact CG-CB 3.86Å
225	S	73.1	Confident	81.9	Confident	36 Å²	36	48.5 Å²	48.5	25%	0.252	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-9.5	-177.3	70.6	0	0	0	0	115.1	E227 K889	S225-E227 VanDerWaalsContact C-N 3.3Å; S225-K889 WeakPolarHBondContact O-CD 3.21Å; S225-K889 VanDerWaalsContact O-CE 3.23Å; S225-K889 WeakPolarHBondContact O-CE 3.47Å; S225-K889 PolarHBondContact O-NZ 3.12Å
226	D	78	Confident	81.8	Confident	64 Å²	64	49.7 Å²	49.7	34%	0.342	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-6.8	172	68.9	-22.5	0	0	0	112.9	L224 R228 S229	L224-D226 VanDerWaalsContact CB-OD1 3.28Å; L224-D226 WeakPolarHBondContact CB-OD1 3.44Å; L224-D226 PolarHBondContact O-N 3.19Å; L224-D226 VanDerWaalsContact O-N 3.13Å; D226-R228 PolarHBondContact O-N 2.83Å; D226-R228 PolarHBondContact OD1-N 3Å; D226-S229 PolarHBondContact OD1-N 3.25Å; D226-S229 VanDerWaalsContact OD1-N 3.14Å; D226-S229 WeakPolarHBondContact OD2-CB 3.45Å; D226-S229 PolarHBondContact OD2-N 2.69Å; D226-S229 PolarHBondContact OD2-OG 2.86Å
227	E	77.6	Confident	81.5	Confident	83 Å²	83	56 Å²	56	39%	0.388	27%	0.268	S	S	.	.	S	Bend	trans	60.2	21.7	-178.8	-61.5	174.7	167	0	0	113.5	C215 L223 L224 S225	C215-E227 WeakPolarHBondContact CB-O 3.43Å; C215-E227 PolarHBondContact SG-O 3.37Å; L223-E227 HydrophobicContact CD2-CB 4.33Å; L224-E227 PolarHBondContact O-N 3.4Å; S225-E227 VanDerWaalsContact C-N 3.3Å
228	R	83.6	Confident	80.7	Confident	94 Å²	94	59.3 Å²	59.3	36%	0.355	28%	0.281	S	S	.	.	S	Bend	trans	-137.8	-41.5	-173.7	-67.4	175.1	-175.7	-77	2.2	114.3	G200 E203 D226	G200-R228 PolarHBondContact O-NH1 3.45Å; E203-R228 PolarHBondContact N-O 2.91Å; D226-R228 PolarHBondContact O-N 2.83Å; D226-R228 PolarHBondContact OD1-N 3Å
229	S	85.4	Confident	79.4	Confident	42 Å²	42	62.1 Å²	62.1	29%	0.294	30%	0.3	S	S	.	.			trans	-91.4	148.6	-177.4	-53.1	0	0	0	0	111.2	E203 L224 D226	E203-S229 WeakPolarHBondContact OE2-CA 3.42Å; L224-S229 WeakPolarHBondContact CB-O 3.09Å; L224-S229 PolarHBondContact N-O 3.13Å; D226-S229 PolarHBondContact OD1-N 3.25Å; D226-S229 VanDerWaalsContact OD1-N 3.14Å; D226-S229 WeakPolarHBondContact OD2-CB 3.45Å; D226-S229 PolarHBondContact OD2-N 2.69Å; D226-S229 PolarHBondContact OD2-OG 2.86Å
230	C	87	Confident	78.9	Confident	12 Å²	12	63.5 Å²	63.5	8%	0.081	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127.3	-178.1	-68.8	0	0	0	0	110.5	E203 H204 C217 F221 K222	E203-C230 PolarHBondContact OE2-N 2.96Å; H204-C230 VanDerWaalsContact CE1-CB 3.47Å; H204-C230 WeakPolarHBondContact CE1-CB 3.31Å; H204-C230 VanDerWaalsContact ND1-CB 3.34Å; H204-C230 WeakPolarHBondContact ND1-CB 3.46Å; H204-C230 PolarHBondContact ND1-SG 3.13Å; C217-C230 WeakPolarHBondContact CA-SG 3.12Å; C217-C230 HydrophobicContact CB-CB 3.89Å; C217-C230 WeakPolarHBondContact CB-SG 3.24Å; C217-C230 VanDerWaalsContact SG-CA 3.58Å; C217-C230 WeakPolarHBondContact SG-CB 3.44Å; C217-C230 CovalentContact SG-SG 2.04Å; C217-C230 PolarHBondContact SG-SG 2.88Å; F221-C230 HydrophobicContact CB-CB 4.29Å; K222-C230 CarbonylContact O-C 3.48Å; K222-C230 WeakPolarHBondContact O-CA 3.31Å
231	Q	85	Confident	78.9	Confident	90 Å²	90	63.4 Å²	63.4	42%	0.421	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	137.9	175.7	-175.6	175.5	51.2	0	0	110.2	F221 K222 L224	F221-Q231 CarbonylContact C-O 3.54Å; F221-Q231 VanDerWaalsContact CA-O 3.26Å; F221-Q231 WeakPolarHBondContact CA-O 3.41Å; K222-Q231 HydrophobicContact CG-CB 4.2Å; K222-Q231 WeakPolarHBondContact CG-O 3.35Å; K222-Q231 PolarHBondContact N-O 3.24Å; K222-Q231 PolarHBondContact O-N 3.11Å; L224-Q231 HydrophobicContact CD1-CB 4.1Å; L224-Q231 HydrophobicContact CD2-CB 3.79Å; L224-Q231 HydrophobicContact CG-CB 3.86Å
232	D	86.6	Confident	79.1	Confident	35 Å²	35	62.4 Å²	62.4	19%	0.187	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	138.8	171.9	-175.2	59.3	0	0	0	111.9	F221 D234 N248 P250 G251	F221-D232 HydrophobicContact CD1-CB 4.16Å; F221-D232 HydrophobicContact CE1-CB 3.97Å; D232-D234 PolarHBondContact O-N 3.37Å; D232-N248 PolarHBondContact OD2-ND2 2.85Å; D232-P250 WeakPolarHBondContact OD1-CA 3.39Å; D232-G251 PolarHBondContact OD1-N 2.91Å
233	I	82.9	Confident	79.4	Confident	3 Å²	3	64.9 Å²	64.9	2%	0.015	31%	0.31	C	S	.	.			trans	-85.9	106.5	175.5	-62.1	172.8	0	0	0	107.6	G220 K222 E235 K857 D858	G220-I233 WeakPolarHBondContact O-CB 3.43Å; G220-I233 WeakPolarHBondContact O-CG1 3.06Å; G220-I233 PolarHBondContact O-N 3.14Å; K222-I233 HydrophobicContact CB-CD1 4.41Å; K222-I233 HydrophobicContact CB-CG1 4.12Å; K222-I233 HydrophobicContact CG-CG1 4.33Å; I233-E235 HydrophobicContact CG2-CG 4.47Å; I233-E235 PolarHBondContact O-N 3.48Å; I233-E235 VanDerWaalsContact O-OE2 3.04Å; I233-K857 HydrophobicContact CD1-CB 4.1Å; I233-D858 HydrophobicContact CG2-CB 4.14Å
234	D	81.6	Confident	79.8	Confident	74 Å²	74	67 Å²	67	40%	0.396	32%	0.319	S	S	.	.			trans	-73.8	95	177.1	-174.3	-11.6	0	0	0	110.9	D232 C236 Y237 N248	D232-D234 PolarHBondContact O-N 3.37Å; D234-C236 PolarHBondContact O-N 3.34Å; D234-C236 WeakPolarHBondContact OD1-CA 3.4Å; D234-C236 VanDerWaalsContact OD1-CB 3.32Å; D234-C236 WeakPolarHBondContact OD1-CB 3Å; D234-C236 PolarHBondContact OD1-N 3.49Å; D234-Y237 PolarHBondContact O-N 3.45Å; D234-Y237 PolarHBondContact OD1-N 2.76Å; D234-N248 WeakPolarHBondContact OD1-CB 3.47Å
235	E	83.8	Confident	80.4	Confident	28 Å²	28	67.8 Å²	67.8	13%	0.131	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-69.4	-20.2	178.9	-57.8	93.8	166.6	0	0	112.6	I233 Y237 T241 N248 G252 F253	I233-E235 HydrophobicContact CG2-CG 4.47Å; I233-E235 PolarHBondContact O-N 3.48Å; I233-E235 VanDerWaalsContact O-OE2 3.04Å; E235-Y237 VanDerWaalsContact C-N 3.29Å; E235-Y237 PolarHBondContact O-N 3.04Å; E235-T241 HydrophobicContact CB-CG2 4.11Å; E235-T241 WeakPolarHBondContact O-CB 3.08Å; E235-T241 PolarHBondContact O-OG1 3.14Å; E235-N248 PolarHBondContact OE2-OD1 2.85Å; E235-G252 VanDerWaalsContact OE2-C 3.29Å; E235-F253 HydrophobicContact CB-CB 4.33Å; E235-F253 HydrophobicContact CB-CD1 3.56Å; E235-F253 HydrophobicContact CB-CE1 4.1Å; E235-F253 HydrophobicContact CB-CG 4.05Å; E235-F253 HydrophobicContact CG-CD1 3.75Å; E235-F253 HydrophobicContact CG-CE1 4.2Å
236	C	83.7	Confident	81.2	Confident	29 Å²	29	67.9 Å²	67.9	20%	0.196	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-76.3	-12.3	-179.3	-64.6	0	0	0	0	113.9	D234 F238 C246 V247 N248	D234-C236 PolarHBondContact O-N 3.34Å; D234-C236 WeakPolarHBondContact OD1-CA 3.4Å; D234-C236 VanDerWaalsContact OD1-CB 3.32Å; D234-C236 WeakPolarHBondContact OD1-CB 3Å; D234-C236 PolarHBondContact OD1-N 3.49Å; C236-F238 PolarHBondContact O-N 3.16Å; C236-F238 VanDerWaalsContact O-N 3.11Å; C236-C246 WeakPolarHBondContact CA-SG 3.47Å; C236-C246 HydrophobicContact CB-CB 3.67Å; C236-C246 WeakPolarHBondContact CB-SG 3.44Å; C236-C246 WeakPolarHBondContact SG-CB 3.35Å; C236-C246 CovalentContact SG-SG 2.04Å; C236-C246 PolarHBondContact SG-SG 3.38Å; C236-V247 PolarHBondContact SG-N 3.33Å; C236-V247 VanDerWaalsContact SG-N 3.45Å; C236-N248 HydrophobicContact CB-CB 4.37Å; C236-N248 PolarHBondContact SG-N 2.03Å
237	Y	77	Confident	81.7	Confident	151 Å²	151	68 Å²	68	59%	0.592	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-61.8	-18.7	175.9	-170.7	-96.1	0	0	0	113.3	D234 E235 K860	D234-Y237 PolarHBondContact O-N 3.45Å; D234-Y237 PolarHBondContact OD1-N 2.76Å; E235-Y237 VanDerWaalsContact C-N 3.29Å; E235-Y237 PolarHBondContact O-N 3.04Å; Y237-K860 HydrophobicContact CD1-CB 4.3Å; Y237-K860 HydrophobicContact CE1-CB 4.37Å; Y237-K860 HydrophobicContact CE1-CD 4.28Å; Y237-K860 HydrophobicContact CE1-CG 4.21Å
238	F	66.8	Low	82.2	Confident	82 Å²	82	66.6 Å²	66.6	36%	0.36	32%	0.324	S	S	.	.	S	Bend	trans	-95.4	124.5	176.1	-166.5	-106.6	0	0	0	111	C236 R240 T241 K859	C236-F238 PolarHBondContact O-N 3.16Å; C236-F238 VanDerWaalsContact O-N 3.11Å; F238-R240 HydrophobicContact CD1-CB 3.97Å; F238-R240 HydrophobicContact CE1-CB 3.76Å; F238-R240 HydrophobicContact CE1-CG 4.34Å; F238-R240 PolarHBondContact O-N 3.26Å; F238-T241 PolarHBondContact O-N 3.23Å; F238-T241 PolarHBondContact O-OG1 2.83Å; F238-K859 HydrophobicContact CB-CB 4.29Å; F238-K859 HydrophobicContact CB-CD 3.37Å; F238-K859 HydrophobicContact CB-CG 4.44Å; F238-K859 HydrophobicContact CD1-CD 4.18Å; F238-K859 HydrophobicContact CD2-CD 4.46Å; F238-K859 HydrophobicContact CG-CD 3.8Å
239	E	58.9	Low	82.3	Confident	193 Å²	193	64.5 Å²	64.5	90%	0.902	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-8.5	-175.1	-68.8	179.2	171.4	0	0	115.3
240	R	68.8	Low	82.3	Confident	174 Å²	174	68 Å²	68	66%	0.657	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.1	21.3	-177.6	-55.9	-174.1	171.8	-153.2	-6	114.3	F238 Y727	F238-R240 HydrophobicContact CD1-CB 3.97Å; F238-R240 HydrophobicContact CE1-CB 3.76Å; F238-R240 HydrophobicContact CE1-CG 4.34Å; F238-R240 PolarHBondContact O-N 3.26Å; R240-Y727 WeakPolarHBondContact CD-OH 3.41Å; R240-Y727 PolarHBondContact NH1-OH 2.83Å
241	T	78.8	Confident	82.1	Confident	10 Å²	10	69 Å²	69	6%	0.061	36%	0.359	C	S	.	.	S	Bend	trans	-73.5	-35.1	175.7	-59.2	0	0	0	0	112.3	E235 F238 F253 A267 K859	E235-T241 HydrophobicContact CB-CG2 4.11Å; E235-T241 WeakPolarHBondContact O-CB 3.08Å; E235-T241 PolarHBondContact O-OG1 3.14Å; F238-T241 PolarHBondContact O-N 3.23Å; F238-T241 PolarHBondContact O-OG1 2.83Å; T241-F253 HydrophobicContact CG2-CD1 4.37Å; T241-F253 HydrophobicContact CG2-CD2 3.74Å; T241-F253 HydrophobicContact CG2-CE1 4.14Å; T241-F253 HydrophobicContact CG2-CE2 3.47Å; T241-F253 VanDerWaalsContact CG2-CE2 3.47Å; T241-F253 HydrophobicContact CG2-CG 4.19Å; T241-F253 HydrophobicContact CG2-CZ 3.68Å; T241-A267 VanDerWaalsContact O-CB 3.26Å; T241-A267 WeakPolarHBondContact O-CB 2.95Å; T241-K859 PolarHBondContact OG1-NZ 2.98Å
242	C	86.3	Confident	82.1	Confident	10 Å²	10	65.4 Å²	65.4	7%	0.068	35%	0.345	C	S	.	.	S	Bend	trans	-128.4	153	173.5	-56.5	0	0	0	0	108.4	H244 C246 C255 A267	C242-H244 VanDerWaalsContact C-N 3.32Å; C242-C246 HydrophobicContact CB-CB 4.13Å; C242-C246 WeakPolarHBondContact SG-CB 3.43Å; C242-C246 PolarHBondContact SG-SG 2.02Å; C242-C255 HydrophobicContact CB-CB 3.68Å; C242-C255 WeakPolarHBondContact CB-SG 3.44Å; C242-C255 VanDerWaalsContact SG-CA 3.5Å; C242-C255 WeakPolarHBondContact SG-CB 3.1Å; C242-C255 CovalentContact SG-SG 2.02Å; C242-C255 PolarHBondContact SG-SG 2.84Å; C242-A267 WeakPolarHBondContact CA-O 2.83Å
243	D	87.3	Confident	82.2	Confident	84 Å²	84	66.7 Å²	66.7	45%	0.449	35%	0.349	S	S	.	.	S	Bend	trans	-66.1	-36.1	173.5	-76.4	-14.6	0	0	0	112.6	A267 H268 C269	D243-A267 PolarHBondContact N-O 3.18Å; D243-H268 IonicContact OD1-ND1 2.71Å; D243-H268 WeakPolarHBondContact OD2-CA 3.05Å; D243-H268 IonicContact OD2-ND1 2.79Å; D243-C269 HydrophobicContact CB-CB 4.01Å; D243-C269 PolarHBondContact OD2-N 2.87Å
244	H	88.2	Confident	82.4	Confident	60 Å²	60	72.4 Å²	72.4	28%	0.278	38%	0.376	S	S	.	.	S	Bend	trans	-118.2	-119.7	-179.1	-66.4	157.8	0	0	0	111.2	C242 L256 N258 Y261 C269	C242-H244 VanDerWaalsContact C-N 3.32Å; H244-L256 WeakPolarHBondContact CB-O 3.44Å; H244-N258 PolarHBondContact ND1-N 3.48Å; H244-Y261 AromaticContact CE1-CD1 3.61Å; H244-Y261 AromaticContact CE1-CD2 3.8Å; H244-Y261 AromaticContact CE1-CE1 3.95Å; H244-Y261 AromaticContact CE1-CG 3.53Å; H244-C269 VanDerWaalsContact ND1-CB 3.29Å; H244-C269 WeakPolarHBondContact ND1-CB 3.25Å; H244-C269 PolarHBondContact ND1-SG 3.24Å; H244-C269 VanDerWaalsContact ND1-SG 3.41Å
245	T	88.2	Confident	82.8	Confident	70 Å²	70	69.1 Å²	69.1	43%	0.429	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	129.5	-172.4	-59.1	0	0	0	0	110.4	V247 C255 L256	T245-V247 HydrophobicContact CG2-CG2 4.49Å; T245-C255 CarbonylContact O-C 3.56Å; T245-C255 WeakPolarHBondContact O-CA 3.22Å; T245-L256 PolarHBondContact N-O 2.95Å; T245-L256 PolarHBondContact O-N 2.78Å
246	C	89.5	Confident	83.1	Confident	38 Å²	38	71.5 Å²	71.5	26%	0.257	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	130.7	175.3	-168.8	0	0	0	0	110.5	C236 C242	C236-C246 WeakPolarHBondContact CA-SG 3.47Å; C236-C246 HydrophobicContact CB-CB 3.67Å; C236-C246 WeakPolarHBondContact CB-SG 3.44Å; C236-C246 WeakPolarHBondContact SG-CB 3.35Å; C236-C246 CovalentContact SG-SG 2.04Å; C236-C246 PolarHBondContact SG-SG 3.38Å; C242-C246 HydrophobicContact CB-CB 4.13Å; C242-C246 WeakPolarHBondContact SG-CB 3.43Å; C242-C246 PolarHBondContact SG-SG 2.02Å
247	V	89.1	Confident	83.5	Confident	65 Å²	65	71.8 Å²	71.8	39%	0.394	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	115.7	175.7	-176.7	0	0	0	0	108.9	C236 T245 Q254 L256	C236-V247 PolarHBondContact SG-N 3.33Å; C236-V247 VanDerWaalsContact SG-N 3.45Å; T245-V247 HydrophobicContact CG2-CG2 4.49Å; V247-Q254 PolarHBondContact N-O 3.39Å; V247-Q254 PolarHBondContact O-N 3.48Å; V247-L256 HydrophobicContact CG2-CD1 3.81Å; V247-L256 HydrophobicContact CG2-CG 4.36Å
248	N	86.9	Confident	84.1	Confident	54 Å²	54	68.4 Å²	68.4	29%	0.289	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	140.8	178.1	-171.2	41.8	0	0	0	111	D232 D234 E235 C236 G252	D232-N248 PolarHBondContact OD2-ND2 2.85Å; D234-N248 WeakPolarHBondContact OD1-CB 3.47Å; E235-N248 PolarHBondContact OE2-OD1 2.85Å; C236-N248 HydrophobicContact CB-CB 4.37Å; C236-N248 PolarHBondContact SG-N 2.03Å; N248-G252 PolarHBondContact OD1-O 3.42Å
249	S	86	Confident	84.9	Confident	50 Å²	50	71.8 Å²	71.8	35%	0.35	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	152.7	178.8	64	0	0	0	0	110.7	G251 G252	S249-G251 PolarHBondContact O-N 3.08Å; S249-G252 CarbonylContact C-O 3.56Å; S249-G252 VanDerWaalsContact C-O 3.3Å; S249-G252 WeakPolarHBondContact CA-O 3.38Å; S249-G252 PolarHBondContact N-O 2.04Å; S249-G252 CarbonylContact O-C 3.54Å; S249-G252 PolarHBondContact O-N 3.09Å; S249-G252 PolarHBondContact OG-O 2.88Å
250	P	86.4	Confident	86.3	Confident	117 Å²	117	63.4 Å²	63.4	76%	0.76	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	114.1	-179.8	-24.7	34.5	0	0	0	112.4	F221 D232	F221-P250 HydrophobicContact CZ-CB 4.21Å; D232-P250 WeakPolarHBondContact OD1-CA 3.39Å
251	G	82.6	Confident	87.3	Confident	33 Å²	33	58 Å²	58	34%	0.34	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.8	7.8	-178.5	0	0	0	0	0	115.6	F221 D232 S249	F221-G251 VanDerWaalsContact CE2-CA 3.47Å; D232-G251 PolarHBondContact OD1-N 2.91Å; S249-G251 PolarHBondContact O-N 3.08Å
252	G	85.5	Confident	87.9	Confident	14 Å²	14	59.4 Å²	59.4	14%	0.144	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.6	-163.5	174.4	0	0	0	0	0	114.6	E235 N248 S249	E235-G252 VanDerWaalsContact OE2-C 3.29Å; N248-G252 PolarHBondContact OD1-O 3.42Å; S249-G252 CarbonylContact C-O 3.56Å; S249-G252 VanDerWaalsContact C-O 3.3Å; S249-G252 WeakPolarHBondContact CA-O 3.38Å; S249-G252 PolarHBondContact N-O 2.04Å; S249-G252 CarbonylContact O-C 3.54Å; S249-G252 PolarHBondContact O-N 3.09Å; S249-G252 PolarHBondContact OG-O 2.88Å
253	F	87.6	Confident	88	Confident	62 Å²	62	61.5 Å²	61.5	27%	0.272	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	161.3	-175	66.7	-79.8	0	0	0	113	E235 T241 C255 P734	E235-F253 HydrophobicContact CB-CB 4.33Å; E235-F253 HydrophobicContact CB-CD1 3.56Å; E235-F253 HydrophobicContact CB-CE1 4.1Å; E235-F253 HydrophobicContact CB-CG 4.05Å; E235-F253 HydrophobicContact CG-CD1 3.75Å; E235-F253 HydrophobicContact CG-CE1 4.2Å; T241-F253 HydrophobicContact CG2-CD1 4.37Å; T241-F253 HydrophobicContact CG2-CD2 3.74Å; T241-F253 HydrophobicContact CG2-CE1 4.14Å; T241-F253 HydrophobicContact CG2-CE2 3.47Å; T241-F253 VanDerWaalsContact CG2-CE2 3.47Å; T241-F253 HydrophobicContact CG2-CG 4.19Å; T241-F253 HydrophobicContact CG2-CZ 3.68Å; F253-C255 VanDerWaalsContact CE2-SG 3.59Å; F253-P734 HydrophobicContact CZ-CG 4.31Å
254	Q	88.1	Confident	88	Confident	122 Å²	122	58.4 Å²	58.4	57%	0.57	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.7	132.6	172.2	-173.7	175.1	29.8	0	0	110.7	V247 L256	V247-Q254 PolarHBondContact N-O 3.39Å; V247-Q254 PolarHBondContact O-N 3.48Å; Q254-L256 HydrophobicContact CG-CD2 4.32Å
255	C	90.5	Very high	87.7	Confident	6 Å²	6	55.8 Å²	55.8	4%	0.041	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	135.5	172.7	-58.8	0	0	0	0	110.9	C242 T245 F253 L263 A267	C242-C255 HydrophobicContact CB-CB 3.68Å; C242-C255 WeakPolarHBondContact CB-SG 3.44Å; C242-C255 VanDerWaalsContact SG-CA 3.5Å; C242-C255 WeakPolarHBondContact SG-CB 3.1Å; C242-C255 CovalentContact SG-SG 2.02Å; C242-C255 PolarHBondContact SG-SG 2.84Å; T245-C255 CarbonylContact O-C 3.56Å; T245-C255 WeakPolarHBondContact O-CA 3.22Å; F253-C255 VanDerWaalsContact CE2-SG 3.59Å; C255-L263 HydrophobicContact CB-CD1 3.89Å; C255-A267 VanDerWaalsContact SG-CA 3.57Å
256	L	89.7	Confident	87.4	Confident	78 Å²	78	56.3 Å²	56.3	41%	0.408	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.7	176.9	-58.6	177.4	0	0	0	109.6	H244 T245 V247 Q254	H244-L256 WeakPolarHBondContact CB-O 3.44Å; T245-L256 PolarHBondContact N-O 2.95Å; T245-L256 PolarHBondContact O-N 2.78Å; V247-L256 HydrophobicContact CG2-CD1 3.81Å; V247-L256 HydrophobicContact CG2-CG 4.36Å; Q254-L256 HydrophobicContact CG-CD2 4.32Å
257	C	91	Very high	87.2	Confident	34 Å²	34	54.7 Å²	54.7	23%	0.23	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-90.7	147.2	177.7	-59	0	0	0	0	111.4	L263 C269	C257-L263 VanDerWaalsContact SG-CA 3.53Å; C257-L263 PolarHBondContact SG-N 3.36Å; C257-L263 VanDerWaalsContact SG-N 3.41Å; C257-C269 WeakPolarHBondContact CA-SG 3.35Å; C257-C269 HydrophobicContact CB-CB 3.87Å; C257-C269 WeakPolarHBondContact CB-SG 3.48Å; C257-C269 VanDerWaalsContact SG-CA 3.55Å; C257-C269 WeakPolarHBondContact SG-CB 3.09Å; C257-C269 CovalentContact SG-SG 2.04Å; C257-C269 PolarHBondContact SG-SG 3.01Å
258	N	89.4	Confident	87.1	Confident	80 Å²	80	53 Å²	53	43%	0.428	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-64.8	162.1	172.9	-61.4	-19.6	0	0	0	111	H244 G260 Y261	H244-N258 PolarHBondContact ND1-N 3.48Å; N258-G260 PolarHBondContact O-N 3Å; N258-Y261 HydrophobicContact CB-CD2 4.14Å; N258-Y261 WeakPolarHBondContact O-CB 3.19Å; N258-Y261 PolarHBondContact O-N 2.94Å
259	K	85.2	Confident	87.3	Confident	153 Å²	153	51 Å²	51	67%	0.665	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	138.7	174.9	-168.6	-177.6	-176.1	-176.3	0	110.6	Y261 E573	K259-Y261 VanDerWaalsContact C-N 3.26Å; K259-Y261 WeakPolarHBondContact O-CD2 3.45Å; K259-E573 IonicContact NZ-OE1 3.19Å; K259-E573 PolarHBondContact NZ-OE1 2.75Å
260	G	86.9	Confident	87.5	Confident	17 Å²	17	48.9 Å²	48.9	18%	0.175	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	-2.4	-174	0	0	0	0	0	114.4	N258 V272	N258-G260 PolarHBondContact O-N 3Å; G260-V272 WeakPolarHBondContact O-CB 3.15Å; G260-V272 PolarHBondContact O-N 3.08Å
261	Y	91.3	Very high	87.8	Confident	60 Å²	60	44.4 Å²	44.4	24%	0.235	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	152.5	175.4	-62.5	-100.9	0	0	0	110.7	H244 N258 K259 G270 D271 V290	H244-Y261 AromaticContact CE1-CD1 3.61Å; H244-Y261 AromaticContact CE1-CD2 3.8Å; H244-Y261 AromaticContact CE1-CE1 3.95Å; H244-Y261 AromaticContact CE1-CG 3.53Å; N258-Y261 HydrophobicContact CB-CD2 4.14Å; N258-Y261 WeakPolarHBondContact O-CB 3.19Å; N258-Y261 PolarHBondContact O-N 2.94Å; K259-Y261 VanDerWaalsContact C-N 3.26Å; K259-Y261 WeakPolarHBondContact O-CD2 3.45Å; Y261-G270 VanDerWaalsContact CA-O 3.29Å; Y261-G270 WeakPolarHBondContact CA-O 3.47Å; Y261-D271 HydrophobicContact CD1-CB 4.35Å; Y261-D271 HydrophobicContact CE1-CB 4.17Å; Y261-V290 WeakPolarHBondContact OH-CG1 3.4Å
262	T	90.3	Very high	88.1	Confident	41 Å²	41	45 Å²	45	25%	0.252	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144.6	176.6	-176.3	0	0	0	0	110.4	Y264 G270 V272 P696 I709	T262-Y264 PolarHBondContact O-N 2.82Å; T262-G270 PolarHBondContact N-O 3.04Å; T262-G270 PolarHBondContact O-N 2.93Å; T262-V272 HydrophobicContact CG2-CG2 3.54Å; T262-P696 HydrophobicContact CG2-CB 3.37Å; T262-P696 HydrophobicContact CG2-CG 3.62Å; T262-I709 HydrophobicContact CG2-CD1 3.33Å; T262-I709 WeakPolarHBondContact OG1-CD1 3.31Å
263	L	89.6	Confident	88.3	Confident	53 Å²	53	46.9 Å²	46.9	28%	0.277	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	129	178.8	-168.8	75.9	0	0	0	109	C255 C257 H268 I709	C255-L263 HydrophobicContact CB-CD1 3.89Å; C257-L263 VanDerWaalsContact SG-CA 3.53Å; C257-L263 PolarHBondContact SG-N 3.36Å; C257-L263 VanDerWaalsContact SG-N 3.41Å; L263-H268 WeakPolarHBondContact CA-O 3.43Å; L263-H268 WeakPolarHBondContact CD1-O 3.49Å; L263-I709 WeakPolarHBondContact O-CD1 3.44Å
264	Y	87.1	Confident	88.5	Confident	19 Å²	19	46 Å²	46	8%	0.075	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	146.3	166.4	70.9	-89.8	0	0	0	109.3	T262 H268 P696 T699 N714	T262-Y264 PolarHBondContact O-N 2.82Å; Y264-H268 HydrophobicContact CD1-CB 4.21Å; Y264-H268 HydrophobicContact CD2-CB 4.07Å; Y264-H268 HydrophobicContact CE1-CB 3.71Å; Y264-H268 HydrophobicContact CE2-CB 3.5Å; Y264-H268 HydrophobicContact CG-CB 4.38Å; Y264-H268 PolarHBondContact N-O 2.93Å; Y264-H268 PolarHBondContact O-N 3.42Å; Y264-H268 VanDerWaalsContact O-O 3.13Å; Y264-P696 HydrophobicContact CD1-CG 3.99Å; Y264-P696 HydrophobicContact CG-CG 4.35Å; Y264-T699 HydrophobicContact CD1-CG2 4.43Å; Y264-T699 HydrophobicContact CD2-CG2 3.97Å; Y264-T699 HydrophobicContact CE1-CG2 4.06Å; Y264-T699 HydrophobicContact CE2-CG2 3.6Å; Y264-T699 HydrophobicContact CG-CG2 4.38Å; Y264-N714 HydrophobicContact CE2-CB 4.49Å
265	G	80.1	Confident	88.6	Confident	5 Å²	5	41.3 Å²	41.3	5%	0.052	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	-141	-165	0	0	0	0	0	110.8	M710	G265-M710 VanDerWaalsContact C-CE 3.46Å; G265-M710 WeakPolarHBondContact O-CE 3.46Å
266	L	82.3	Confident	88.4	Confident	82 Å²	82	43.3 Å²	43.3	43%	0.429	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-16.7	-174.9	-72.9	169.7	0	0	0	114.5	M710 P734	L266-M710 HydrophobicContact CD2-CE 4.45Å; L266-P734 HydrophobicContact CB-CG 3.88Å; L266-P734 HydrophobicContact CD1-CB 4.3Å; L266-P734 HydrophobicContact CD1-CG 4.14Å; L266-P734 WeakPolarHBondContact CD1-O 3.4Å
267	A	85	Confident	88.1	Confident	3 Å²	3	41.1 Å²	41.1	3%	0.025	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.9	-9.2	-169.2	0	0	0	0	0	115	T241 C242 D243 C255	T241-A267 VanDerWaalsContact O-CB 3.26Å; T241-A267 WeakPolarHBondContact O-CB 2.95Å; C242-A267 WeakPolarHBondContact CA-O 2.83Å; D243-A267 PolarHBondContact N-O 3.18Å; C255-A267 VanDerWaalsContact SG-CA 3.57Å
268	H	87.6	Confident	87.7	Confident	30 Å²	30	43.2 Å²	43.2	14%	0.139	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	137.5	-166.1	-57.8	-79.3	0	0	0	111.3	D243 L263 Y264 Y733	D243-H268 IonicContact OD1-ND1 2.71Å; D243-H268 WeakPolarHBondContact OD2-CA 3.05Å; D243-H268 IonicContact OD2-ND1 2.79Å; L263-H268 WeakPolarHBondContact CA-O 3.43Å; L263-H268 WeakPolarHBondContact CD1-O 3.49Å; Y264-H268 HydrophobicContact CD1-CB 4.21Å; Y264-H268 HydrophobicContact CD2-CB 4.07Å; Y264-H268 HydrophobicContact CE1-CB 3.71Å; Y264-H268 HydrophobicContact CE2-CB 3.5Å; Y264-H268 HydrophobicContact CG-CB 4.38Å; Y264-H268 PolarHBondContact N-O 2.93Å; Y264-H268 PolarHBondContact O-N 3.42Å; Y264-H268 VanDerWaalsContact O-O 3.13Å; H268-Y733 PolarHBondContact NE2-O 3.33Å
269	C	90.9	Very high	87.5	Confident	13 Å²	13	42.4 Å²	42.4	9%	0.088	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	114.9	-177.8	-69.6	0	0	0	0	110	D243 H244 C257	D243-C269 HydrophobicContact CB-CB 4.01Å; D243-C269 PolarHBondContact OD2-N 2.87Å; H244-C269 VanDerWaalsContact ND1-CB 3.29Å; H244-C269 WeakPolarHBondContact ND1-CB 3.25Å; H244-C269 PolarHBondContact ND1-SG 3.24Å; H244-C269 VanDerWaalsContact ND1-SG 3.41Å; C257-C269 WeakPolarHBondContact CA-SG 3.35Å; C257-C269 HydrophobicContact CB-CB 3.87Å; C257-C269 WeakPolarHBondContact CB-SG 3.48Å; C257-C269 VanDerWaalsContact SG-CA 3.55Å; C257-C269 WeakPolarHBondContact SG-CB 3.09Å; C257-C269 CovalentContact SG-SG 2.04Å; C257-C269 PolarHBondContact SG-SG 3.01Å
270	G	90.3	Very high	87.4	Confident	4 Å²	4	35.4 Å²	35.4	4%	0.041	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	142.3	179.1	0	0	0	0	0	111.3	Y261 T262 V272	Y261-G270 VanDerWaalsContact CA-O 3.29Å; Y261-G270 WeakPolarHBondContact CA-O 3.47Å; T262-G270 PolarHBondContact N-O 3.04Å; T262-G270 PolarHBondContact O-N 2.93Å; G270-V272 PolarHBondContact O-N 2.94Å
271	D	92.2	Very high	87.2	Confident	23 Å²	23	34.9 Å²	34.9	12%	0.123	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	128.6	171.8	-177.6	65.8	0	0	0	110.3	Y261 N288 G291 P696 G697	Y261-D271 HydrophobicContact CD1-CB 4.35Å; Y261-D271 HydrophobicContact CE1-CB 4.17Å; D271-N288 PolarHBondContact OD2-ND2 2.77Å; D271-G291 PolarHBondContact OD1-N 3.17Å; D271-P696 CarbonylContact O-C 3.58Å; D271-P696 WeakPolarHBondContact O-CA 3.04Å; D271-P696 WeakPolarHBondContact O-CB 3.19Å; D271-G697 PolarHBondContact O-N 2.89Å
272	V	90.5	Very high	87.1	Confident	46 Å²	46	32.3 Å²	32.3	28%	0.279	19%	0.185	S	C	.	.	P	Polyproline II helix	trans	-79.7	124.3	174.6	178	0	0	0	0	107.5	G260 T262 G270 E274 N288	G260-V272 WeakPolarHBondContact O-CB 3.15Å; G260-V272 PolarHBondContact O-N 3.08Å; T262-V272 HydrophobicContact CG2-CG2 3.54Å; G270-V272 PolarHBondContact O-N 2.94Å; V272-E274 HydrophobicContact CG1-CG 4.1Å; V272-E274 PolarHBondContact O-N 3.11Å; V272-N288 PolarHBondContact O-OD1 2.74Å
273	N	89.3	Confident	86.9	Confident	53 Å²	53	34 Å²	34	28%	0.283	19%	0.19	S	C	.	.			trans	-90.5	88.2	173.5	-175.7	-25.6	0	0	0	110.2	C275 S276 N288	N273-C275 PolarHBondContact O-N 2.99Å; N273-C275 WeakPolarHBondContact OD1-CB 3.27Å; N273-C275 PolarHBondContact OD1-N 2.82Å; N273-S276 PolarHBondContact ND2-OG 2.66Å; N273-S276 WeakPolarHBondContact O-CB 3.44Å; N273-S276 PolarHBondContact O-N 2.75Å; N273-S276 VanDerWaalsContact O-N 3.16Å; N273-S276 PolarHBondContact O-OG 3.32Å; N273-S276 PolarHBondContact OD1-N 2.78Å; N273-S276 VanDerWaalsContact OD1-N 3.16Å; N273-S276 PolarHBondContact OD1-OG 2.73Å; N273-S276 VanDerWaalsContact OD1-OG 3.13Å; N273-N288 WeakPolarHBondContact CA-OD1 3.21Å
274	E	90.8	Very high	86.8	Confident	45 Å²	45	33.7 Å²	33.7	21%	0.21	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-64.3	-28.9	-177.8	-60.4	87.1	171.3	0	0	112.1	V272 S276 V277 G280 N288 F293	V272-E274 HydrophobicContact CG1-CG 4.1Å; V272-E274 PolarHBondContact O-N 3.11Å; E274-S276 PolarHBondContact O-N 2.98Å; E274-V277 PolarHBondContact O-N 2.03Å; E274-G280 VanDerWaalsContact O-CA 3.22Å; E274-G280 WeakPolarHBondContact O-CA 3.41Å; E274-G280 PolarHBondContact O-N 3.38Å; E274-N288 PolarHBondContact OE2-OD1 3.32Å; E274-F293 HydrophobicContact CB-CB 4.4Å; E274-F293 HydrophobicContact CB-CD1 3.36Å; E274-F293 HydrophobicContact CB-CE1 3.71Å; E274-F293 HydrophobicContact CB-CG 3.84Å; E274-F293 HydrophobicContact CB-CZ 4.44Å; E274-F293 VanDerWaalsContact CD-CD1 3.46Å; E274-F293 HydrophobicContact CG-CD1 3.51Å; E274-F293 HydrophobicContact CG-CE1 3.75Å; E274-F293 HydrophobicContact CG-CG 4.43Å; E274-F293 WeakPolarHBondContact OE2-CD1 3.48Å
275	C	90.1	Very high	86.9	Confident	23 Å²	23	33.1 Å²	33.1	16%	0.155	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-62.8	-23.5	177.6	-61.3	0	0	0	0	113.6	N273 V277 N279 C286 E287 N288	N273-C275 PolarHBondContact O-N 2.99Å; N273-C275 WeakPolarHBondContact OD1-CB 3.27Å; N273-C275 PolarHBondContact OD1-N 2.82Å; C275-V277 PolarHBondContact O-N 3.26Å; C275-N279 WeakPolarHBondContact O-CA 3.5Å; C275-C286 WeakPolarHBondContact CA-SG 3.34Å; C275-C286 HydrophobicContact CB-CB 3.63Å; C275-C286 WeakPolarHBondContact CB-SG 3.48Å; C275-C286 WeakPolarHBondContact SG-CB 3.02Å; C275-C286 CovalentContact SG-SG 2.03Å; C275-C286 PolarHBondContact SG-SG 2.84Å; C275-E287 PolarHBondContact SG-N 2.76Å; C275-N288 PolarHBondContact SG-N 2.79Å; C275-N288 VanDerWaalsContact SG-N 3.38Å
276	S	87.3	Confident	87.5	Confident	48 Å²	48	33.9 Å²	33.9	34%	0.336	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-69.4	-23.8	179.1	-61.2	0	0	0	0	113	N273 E274 T694	N273-S276 PolarHBondContact ND2-OG 2.66Å; N273-S276 WeakPolarHBondContact O-CB 3.44Å; N273-S276 PolarHBondContact O-N 2.75Å; N273-S276 VanDerWaalsContact O-N 3.16Å; N273-S276 PolarHBondContact O-OG 3.32Å; N273-S276 PolarHBondContact OD1-N 2.78Å; N273-S276 VanDerWaalsContact OD1-N 3.16Å; N273-S276 PolarHBondContact OD1-OG 2.73Å; N273-S276 VanDerWaalsContact OD1-OG 3.13Å; E274-S276 PolarHBondContact O-N 2.98Å; S276-T694 VanDerWaalsContact CB-CG2 3.43Å; S276-T694 WeakPolarHBondContact CB-OG1 3.38Å; S276-T694 WeakPolarHBondContact OG-CG2 3.48Å; S276-T694 PolarHBondContact OG-OG1 2.76Å
277	V	83.4	Confident	88	Confident	32 Å²	32	35.9 Å²	35.9	19%	0.194	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	113.7	-179.9	176.7	0	0	0	0	108.8	E274 C275 N279 G280 Y691 V693	E274-V277 PolarHBondContact O-N 2.03Å; C275-V277 PolarHBondContact O-N 3.26Å; V277-N279 PolarHBondContact O-N 2.8Å; V277-N279 VanDerWaalsContact O-N 3.09Å; V277-G280 PolarHBondContact O-N 2.81Å; V277-Y691 HydrophobicContact CB-CD2 4.2Å; V277-Y691 HydrophobicContact CB-CE2 4.22Å; V277-Y691 HydrophobicContact CG1-CD1 4.2Å; V277-Y691 HydrophobicContact CG1-CD2 3.52Å; V277-Y691 HydrophobicContact CG1-CE1 4.07Å; V277-Y691 HydrophobicContact CG1-CE2 3.34Å; V277-Y691 HydrophobicContact CG1-CG 3.95Å; V277-Y691 HydrophobicContact CG2-CD2 3.76Å; V277-Y691 HydrophobicContact CG2-CE2 3.79Å; V277-V693 HydrophobicContact CG2-CG2 4.39Å
278	N	81.6	Confident	88.2	Confident	78 Å²	78	38.1 Å²	38.1	42%	0.417	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	48.5	40.5	176.1	-162.6	27.9	0	0	0	113.6	G280 G281 F637	N278-G280 PolarHBondContact O-N 2.71Å; N278-G281 WeakPolarHBondContact O-CA 3.5Å; N278-G281 PolarHBondContact O-N 2.81Å; N278-F637 WeakPolarHBondContact ND2-CE1 3.07Å
279	N	85.9	Confident	88.2	Confident	62 Å²	62	39.3 Å²	39.3	33%	0.332	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	55.9	32.7	-177.1	-167.6	43.2	0	0	0	113.4	C275 V277 G281 C282 C286	C275-N279 WeakPolarHBondContact O-CA 3.5Å; V277-N279 PolarHBondContact O-N 2.8Å; V277-N279 VanDerWaalsContact O-N 3.09Å; N279-G281 PolarHBondContact O-N 3.1Å; N279-C282 PolarHBondContact ND2-O 2.99Å; N279-C282 VanDerWaalsContact O-CB 3.31Å; N279-C282 WeakPolarHBondContact O-CB 2.98Å; N279-C282 PolarHBondContact O-N 3.16Å; N279-C282 PolarHBondContact O-SG 2.85Å; N279-C286 VanDerWaalsContact O-CB 3.29Å; N279-C286 WeakPolarHBondContact O-CB 3.46Å; N279-C286 VanDerWaalsContact OD1-CB 3.3Å; N279-C286 WeakPolarHBondContact OD1-CB 3.36Å; N279-C286 PolarHBondContact OD1-N 2.99Å
280	G	83.6	Confident	88	Confident	7 Å²	7	44.6 Å²	44.6	7%	0.072	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	59.6	19.6	-173.6	0	0	0	0	0	112.7	E274 V277 N278 C282 F293 K308	E274-G280 VanDerWaalsContact O-CA 3.22Å; E274-G280 WeakPolarHBondContact O-CA 3.41Å; E274-G280 PolarHBondContact O-N 3.38Å; V277-G280 PolarHBondContact O-N 2.81Å; N278-G280 PolarHBondContact O-N 2.71Å; G280-C282 PolarHBondContact O-N 2.89Å; G280-F293 WeakPolarHBondContact O-CE2 3.24Å; G280-K308 WeakPolarHBondContact O-CD 3.48Å; G280-K308 WeakPolarHBondContact O-CE 3.1Å; G280-K308 PolarHBondContact O-NZ 3.25Å
281	G	83.2	Confident	87.7	Confident	5 Å²	5	45.8 Å²	45.8	5%	0.052	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	69.1	9.4	-170.7	0	0	0	0	0	114.6	N278 N279 R633	N278-G281 WeakPolarHBondContact O-CA 3.5Å; N278-G281 PolarHBondContact O-N 2.81Å; N279-G281 PolarHBondContact O-N 3.1Å; G281-R633 PolarHBondContact O-NH1 3.06Å; G281-R633 PolarHBondContact O-NH2 3.34Å
282	C	88.7	Confident	87.5	Confident	7 Å²	7	45.4 Å²	45.4	5%	0.047	26%	0.264	C	S	.	.			trans	-72.3	140.6	177.7	-52	0	0	0	0	111.3	N279 G280 G285 C286 C295 K308	N279-C282 PolarHBondContact ND2-O 2.99Å; N279-C282 VanDerWaalsContact O-CB 3.31Å; N279-C282 WeakPolarHBondContact O-CB 2.98Å; N279-C282 PolarHBondContact O-N 3.16Å; N279-C282 PolarHBondContact O-SG 2.85Å; G280-C282 PolarHBondContact O-N 2.89Å; C282-G285 WeakPolarHBondContact CB-O 3.36Å; C282-C286 HydrophobicContact CB-CB 4.21Å; C282-C286 WeakPolarHBondContact SG-CB 3Å; C282-C286 VanDerWaalsContact SG-SG 3.63Å; C282-C295 HydrophobicContact CB-CB 3.62Å; C282-C295 WeakPolarHBondContact CB-SG 3.48Å; C282-C295 VanDerWaalsContact SG-CA 3.51Å; C282-C295 WeakPolarHBondContact SG-CB 3.2Å; C282-C295 CovalentContact SG-SG 2.01Å; C282-C295 PolarHBondContact SG-SG 3.36Å; C282-K308 WeakPolarHBondContact CA-O 3.39Å
283	E	85.4	Confident	87.6	Confident	77 Å²	77	45.9 Å²	45.9	36%	0.36	26%	0.263	S	S	.	.	S	Bend	trans	-66	-42.1	177.4	-179.7	178.2	175	0	0	112.2	K308 C310	E283-K308 PolarHBondContact N-O 2.92Å; E283-C310 WeakPolarHBondContact OE2-CA 3Å; E283-C310 PolarHBondContact OE2-N 3.18Å
284	H	88	Confident	87.6	Confident	45 Å²	45	49.8 Å²	49.8	21%	0.208	28%	0.279	C	S	.	.	S	Bend	trans	-107.5	-66.1	-175.7	-76.8	149.8	0	0	0	113.7	F296 R298 Y301 C310	H284-F296 WeakPolarHBondContact CB-O 3.38Å; H284-R298 HydrophobicContact CB-CG 4.26Å; H284-R298 PolarHBondContact ND1-N 3.3Å; H284-Y301 AromaticContact CE1-CD1 3.97Å; H284-Y301 AromaticContact CE1-CD2 3.98Å; H284-Y301 AromaticContact CE1-CG 3.76Å; H284-C310 VanDerWaalsContact ND1-CB 3.3Å; H284-C310 WeakPolarHBondContact ND1-CB 3.4Å; H284-C310 PolarHBondContact ND1-SG 2.71Å
285	G	88.4	Confident	87.6	Confident	7 Å²	7	48.1 Å²	48.1	7%	0.072	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	150.2	-176.1	0	0	0	0	0	111.6	C282 C295 F296	C282-G285 WeakPolarHBondContact CB-O 3.36Å; G285-C295 CarbonylContact O-C 3.48Å; G285-C295 VanDerWaalsContact O-CA 3.32Å; G285-C295 WeakPolarHBondContact O-CA 3.36Å; G285-F296 VanDerWaalsContact C-CE1 3.48Å; G285-F296 PolarHBondContact N-O 3.04Å; G285-F296 PolarHBondContact O-N 3.23Å
286	C	93.1	Very high	87.6	Confident	21 Å²	21	52.3 Å²	52.3	14%	0.142	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	133.8	-178.8	-170.7	0	0	0	0	109.6	C275 N279 C282 F293	C275-C286 WeakPolarHBondContact CA-SG 3.34Å; C275-C286 HydrophobicContact CB-CB 3.63Å; C275-C286 WeakPolarHBondContact CB-SG 3.48Å; C275-C286 WeakPolarHBondContact SG-CB 3.02Å; C275-C286 CovalentContact SG-SG 2.03Å; C275-C286 PolarHBondContact SG-SG 2.84Å; N279-C286 VanDerWaalsContact O-CB 3.29Å; N279-C286 WeakPolarHBondContact O-CB 3.46Å; N279-C286 VanDerWaalsContact OD1-CB 3.3Å; N279-C286 WeakPolarHBondContact OD1-CB 3.36Å; N279-C286 PolarHBondContact OD1-N 2.99Å; C282-C286 HydrophobicContact CB-CB 4.21Å; C282-C286 WeakPolarHBondContact SG-CB 3Å; C282-C286 VanDerWaalsContact SG-SG 3.63Å; C286-F293 VanDerWaalsContact SG-CD2 3.52Å
287	E	92.5	Very high	87.7	Confident	124 Å²	124	51.4 Å²	51.4	58%	0.579	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	122.3	171.9	-175.4	167.8	-162.8	0	0	109.5	C275 F293 E294 F296	C275-E287 PolarHBondContact SG-N 2.76Å; E287-F293 WeakPolarHBondContact O-CA 3.26Å; E287-E294 PolarHBondContact N-O 3.17Å; E287-E294 PolarHBondContact O-N 2.79Å; E287-F296 HydrophobicContact CB-CD1 4.43Å
288	N	88.9	Confident	88	Confident	50 Å²	50	57.7 Å²	57.7	27%	0.267	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	131	178.8	-167.2	60.7	0	0	0	110	D271 V272 N273 E274 C275 G292	D271-N288 PolarHBondContact OD2-ND2 2.77Å; V272-N288 PolarHBondContact O-OD1 2.74Å; N273-N288 WeakPolarHBondContact CA-OD1 3.21Å; E274-N288 PolarHBondContact OE2-OD1 3.32Å; C275-N288 PolarHBondContact SG-N 2.79Å; C275-N288 VanDerWaalsContact SG-N 3.38Å; N288-G292 PolarHBondContact OD1-O 2.98Å
289	T	87.7	Confident	88	Confident	55 Å²	55	60.2 Å²	60.2	34%	0.337	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	163.4	178.1	63.3	0	0	0	0	109.8	G291 G292	T289-G291 PolarHBondContact O-N 3.17Å; T289-G291 VanDerWaalsContact O-N 3.13Å; T289-G292 CarbonylContact C-O 3.5Å; T289-G292 VanDerWaalsContact C-O 3.25Å; T289-G292 VanDerWaalsContact CA-O 3.28Å; T289-G292 WeakPolarHBondContact CA-O 3.48Å; T289-G292 PolarHBondContact N-O 2.9Å; T289-G292 PolarHBondContact O-N 3.49Å; T289-G292 PolarHBondContact OG1-O 2.94Å
290	V	87	Confident	87.7	Confident	125 Å²	125	59.9 Å²	59.9	76%	0.758	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	112	179.5	176.6	0	0	0	0	109.2	Y261	Y261-V290 WeakPolarHBondContact OH-CG1 3.4Å
291	G	84.9	Confident	87.7	Confident	29 Å²	29	63.8 Å²	63.8	30%	0.299	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.4	9.1	-177.1	0	0	0	0	0	115.3	D271 T289	D271-G291 PolarHBondContact OD1-N 3.17Å; T289-G291 PolarHBondContact O-N 3.17Å; T289-G291 VanDerWaalsContact O-N 3.13Å
292	G	88.3	Confident	87.5	Confident	14 Å²	14	68.8 Å²	68.8	14%	0.144	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.4	-159.8	176	0	0	0	0	0	113.2	N288 T289	N288-G292 PolarHBondContact OD1-O 2.98Å; T289-G292 CarbonylContact C-O 3.5Å; T289-G292 VanDerWaalsContact C-O 3.25Å; T289-G292 VanDerWaalsContact CA-O 3.28Å; T289-G292 WeakPolarHBondContact CA-O 3.48Å; T289-G292 PolarHBondContact N-O 2.9Å; T289-G292 PolarHBondContact O-N 3.49Å; T289-G292 PolarHBondContact OG1-O 2.94Å
293	F	90.8	Very high	87.2	Confident	57 Å²	57	72 Å²	72	25%	0.25	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	157.9	-176.8	68.2	-73.9	0	0	0	112	E274 G280 C286 E287 K308	E274-F293 HydrophobicContact CB-CB 4.4Å; E274-F293 HydrophobicContact CB-CD1 3.36Å; E274-F293 HydrophobicContact CB-CE1 3.71Å; E274-F293 HydrophobicContact CB-CG 3.84Å; E274-F293 HydrophobicContact CB-CZ 4.44Å; E274-F293 VanDerWaalsContact CD-CD1 3.46Å; E274-F293 HydrophobicContact CG-CD1 3.51Å; E274-F293 HydrophobicContact CG-CE1 3.75Å; E274-F293 HydrophobicContact CG-CG 4.43Å; E274-F293 WeakPolarHBondContact OE2-CD1 3.48Å; G280-F293 WeakPolarHBondContact O-CE2 3.24Å; C286-F293 VanDerWaalsContact SG-CD2 3.52Å; E287-F293 WeakPolarHBondContact O-CA 3.26Å; F293-K308 HydrophobicContact CE2-CD 4.18Å; F293-K308 HydrophobicContact CZ-CD 4.46Å; F293-K308 VanDerWaalsContact CZ-CE 3.42Å; F293-K308 VanDerWaalsContact CZ-NZ 3.25Å
294	E	90.2	Very high	86.9	Confident	134 Å²	134	69 Å²	69	63%	0.626	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125	134.5	176	-65.1	-168.8	163	0	0	111	E287	E287-E294 PolarHBondContact N-O 3.17Å; E287-E294 PolarHBondContact O-N 2.79Å
295	C	90.9	Very high	86.3	Confident	11 Å²	11	69.8 Å²	69.8	7%	0.074	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	140	172.2	-58.7	0	0	0	0	110.7	C282 G285 L303 K307	C282-C295 HydrophobicContact CB-CB 3.62Å; C282-C295 WeakPolarHBondContact CB-SG 3.48Å; C282-C295 VanDerWaalsContact SG-CA 3.51Å; C282-C295 WeakPolarHBondContact SG-CB 3.2Å; C282-C295 CovalentContact SG-SG 2.01Å; C282-C295 PolarHBondContact SG-SG 3.36Å; G285-C295 CarbonylContact O-C 3.48Å; G285-C295 VanDerWaalsContact O-CA 3.32Å; G285-C295 WeakPolarHBondContact O-CA 3.36Å; C295-L303 HydrophobicContact CB-CD1 3.89Å; C295-K307 WeakPolarHBondContact CB-O 3.48Å; C295-K307 PolarHBondContact SG-O 3.04Å
296	F	90.1	Very high	85.8	Confident	111 Å²	111	70.5 Å²	70.5	49%	0.487	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	147.7	174.4	66.4	-91.4	0	0	0	111.7	H284 G285 E287	H284-F296 WeakPolarHBondContact CB-O 3.38Å; G285-F296 VanDerWaalsContact C-CE1 3.48Å; G285-F296 PolarHBondContact N-O 3.04Å; G285-F296 PolarHBondContact O-N 3.23Å; E287-F296 HydrophobicContact CB-CD1 4.43Å
297	C	90.1	Very high	85.2	Confident	28 Å²	28	76.1 Å²	76.1	19%	0.189	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-101.5	148.2	179.6	-60.9	0	0	0	0	111.5	L303 C310	C297-L303 VanDerWaalsContact SG-CA 3.51Å; C297-C310 WeakPolarHBondContact CA-SG 3.24Å; C297-C310 HydrophobicContact CB-CB 3.85Å; C297-C310 WeakPolarHBondContact CB-SG 3.46Å; C297-C310 VanDerWaalsContact SG-CA 3.54Å; C297-C310 WeakPolarHBondContact SG-CB 3.41Å; C297-C310 CovalentContact SG-SG 2.03Å; C297-C310 PolarHBondContact SG-SG 2.93Å
298	R	88	Confident	84.8	Confident	164 Å²	164	71.6 Å²	71.6	62%	0.619	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-65.7	157.2	171.3	-63.6	-179.3	-173.3	-137.4	2.1	110.7	H284 G300 Y301	H284-R298 HydrophobicContact CB-CG 4.26Å; H284-R298 PolarHBondContact ND1-N 3.3Å; R298-G300 PolarHBondContact O-N 2.96Å; R298-Y301 PolarHBondContact O-N 2.91Å
299	P	83.4	Confident	84.6	Confident	131 Å²	131	69.2 Å²	69.2	85%	0.851	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	136.8	179	-26.5	34.5	0	0	0	112.9
300	G	78.4	Confident	84.5	Confident	56 Å²	56	66.9 Å²	66.9	58%	0.577	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.8	-2.3	-176.1	0	0	0	0	0	115.1	R298 A313	R298-G300 PolarHBondContact O-N 2.96Å; G300-A313 PolarHBondContact O-N 2.9Å
301	Y	82.9	Confident	84.3	Confident	89 Å²	89	63.4 Å²	63.4	35%	0.349	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	145	176.4	-65.5	-102.2	0	0	0	110.4	H284 R298 C310 I311 K312	H284-Y301 AromaticContact CE1-CD1 3.97Å; H284-Y301 AromaticContact CE1-CD2 3.98Å; H284-Y301 AromaticContact CE1-CG 3.76Å; R298-Y301 PolarHBondContact O-N 2.91Å; Y301-C310 HydrophobicContact CD1-CB 4.36Å; Y301-C310 WeakPolarHBondContact CD1-O 3.43Å; Y301-I311 CarbonylContact C-O 3.5Å; Y301-I311 VanDerWaalsContact CA-O 3.32Å; Y301-I311 WeakPolarHBondContact CA-O 3.44Å; Y301-K312 HydrophobicContact CD1-CG 3.89Å; Y301-K312 HydrophobicContact CE1-CB 4.39Å; Y301-K312 HydrophobicContact CE1-CD 4.37Å; Y301-K312 HydrophobicContact CE1-CG 3.33Å; Y301-K312 WeakPolarHBondContact OH-CE 3.41Å
302	K	81	Confident	83.9	Confident	110 Å²	110	69 Å²	69	48%	0.478	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	143.2	173.2	63.4	-177.4	-179.6	178.1	0	109.6	H304 C310 I311	K302-H304 PolarHBondContact O-N 3.35Å; K302-C310 WeakPolarHBondContact O-CA 3.48Å; K302-I311 HydrophobicContact CD-CD1 4.3Å; K302-I311 HydrophobicContact CD-CG1 4.32Å; K302-I311 HydrophobicContact CG-CD1 4.13Å; K302-I311 HydrophobicContact CG-CG1 3.62Å; K302-I311 PolarHBondContact N-O 3.23Å; K302-I311 PolarHBondContact O-N 3Å
303	L	81.8	Confident	82.9	Confident	74 Å²	74	70.3 Å²	70.3	39%	0.387	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	127.6	176.8	-167.2	69.3	0	0	0	109	C295 C297 K307	C295-L303 HydrophobicContact CB-CD1 3.89Å; C297-L303 VanDerWaalsContact SG-CA 3.51Å; L303-K307 HydrophobicContact CD2-CB 4.37Å
304	H	79.4	Confident	81.1	Confident	13 Å²	13	76.9 Å²	76.9	6%	0.06	38%	0.38	C	S	.	.			trans	-68.3	159.3	177.6	-169.1	-122	0	0	0	110	K302 N306 K307 D309 I311 D614	K302-H304 PolarHBondContact O-N 3.35Å; H304-N306 PolarHBondContact ND1-ND2 2.03Å; H304-N306 PolarHBondContact ND1-OD1 3.22Å; H304-N306 PolarHBondContact O-N 2.96Å; H304-K307 PolarHBondContact O-N 3.47Å; H304-D309 HydrophobicContact CB-CB 3.89Å; H304-D309 WeakPolarHBondContact CB-O 3.08Å; H304-D309 PolarHBondContact N-O 3.26Å; H304-I311 HydrophobicContact CB-CG2 4.33Å; H304-D614 PolarHBondContact CE1-O 3.48Å; H304-D614 VanDerWaalsContact CE1-O 3.25Å; H304-D614 PolarHBondContact NE2-O 2.04Å; H304-D614 VanDerWaalsContact NE2-O 3.14Å
305	W	75.8	Confident	79.4	Confident	63 Å²	63	73.7 Å²	73.7	24%	0.239	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-25.1	-176.6	62.2	-99.2	0	0	0	113	K307 P583 M599 Q605 F616	W305-K307 PolarHBondContact O-N 2.88Å; W305-P583 HydrophobicContact CB-CB 3.92Å; W305-P583 HydrophobicContact CD2-CB 3.64Å; W305-P583 HydrophobicContact CD2-CG 3.9Å; W305-P583 HydrophobicContact CE3-CB 3.79Å; W305-P583 HydrophobicContact CE3-CG 3.63Å; W305-P583 HydrophobicContact CG-CB 3.71Å; W305-P583 HydrophobicContact CG-CG 4.48Å; W305-P583 HydrophobicContact CH2-CG 4.46Å; W305-P583 HydrophobicContact CZ3-CG 3.93Å; W305-M599 HydrophobicContact CE3-CE 3.62Å; W305-M599 HydrophobicContact CZ3-CE 3.94Å; W305-M599 HydrophobicContact CZ3-CG 4.14Å; W305-Q605 HydrophobicContact CH2-CB 4.21Å; W305-Q605 HydrophobicContact CH2-CG 3.39Å; W305-Q605 HydrophobicContact CZ2-CG 3.88Å; W305-Q605 HydrophobicContact CZ3-CG 4.24Å; W305-F616 AromaticContact CD1-CE2 3.69Å; W305-F616 AromaticContact CD1-CZ 3.89Å; W305-F616 HydrophobicContact CD2-CZ 4.13Å; W305-F616 AromaticContact CE2-CE2 3.61Å; W305-F616 AromaticContact CE2-CZ 3.39Å; W305-F616 HydrophobicContact CG-CZ 4.42Å; W305-F616 AromaticContact CZ2-CE1 3.99Å; W305-F616 HydrophobicContact CZ2-CE1 3.99Å; W305-F616 HydrophobicContact CZ2-CE2 4.05Å; W305-F616 AromaticContact CZ2-CZ 3.68Å; W305-F616 HydrophobicContact CZ2-CZ 3.68Å; W305-F616 AromaticContact NE1-CD2 3.89Å; W305-F616 AromaticContact NE1-CE2 2.96Å; W305-F616 AromaticContact NE1-CZ 3.21Å
306	N	75.8	Confident	76.8	Confident	22 Å²	22	80.9 Å²	80.9	12%	0.118	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	4.6	176.3	67	13.1	0	0	0	113.6	H304 K308 D309 G632	H304-N306 PolarHBondContact ND1-ND2 2.03Å; H304-N306 PolarHBondContact ND1-OD1 3.22Å; H304-N306 PolarHBondContact O-N 2.96Å; N306-K308 VanDerWaalsContact O-CG 3.29Å; N306-K308 WeakPolarHBondContact O-CG 3.38Å; N306-K308 PolarHBondContact O-N 3.22Å; N306-K308 PolarHBondContact OD1-N 3.09Å; N306-D309 PolarHBondContact ND2-OD2 3.39Å; N306-D309 PolarHBondContact OD1-N 3.13Å; N306-G632 PolarHBondContact ND2-O 3.02Å
307	K	81.6	Confident	74	Confident	138 Å²	138	81.5 Å²	81.5	60%	0.6	43%	0.433	S	S	*	.	S	Bend	trans	58.4	15.5	179.2	-57.7	-179.5	-179.3	174.9	0	114.4	C295 L303 H304 W305	C295-K307 WeakPolarHBondContact CB-O 3.48Å; C295-K307 PolarHBondContact SG-O 3.04Å; L303-K307 HydrophobicContact CD2-CB 4.37Å; H304-K307 PolarHBondContact O-N 3.47Å; W305-K307 PolarHBondContact O-N 2.88Å
308	K	83.6	Confident	71.4	Confident	29 Å²	29	86.1 Å²	86.1	13%	0.126	46%	0.463	C	S	.	.	S	Bend	trans	-131.6	-41.6	-172.7	-62.2	-92.2	-176.7	140.4	0	113.5	G280 C282 E283 F293 N306 E630 R633	G280-K308 WeakPolarHBondContact O-CD 3.48Å; G280-K308 WeakPolarHBondContact O-CE 3.1Å; G280-K308 PolarHBondContact O-NZ 3.25Å; C282-K308 WeakPolarHBondContact CA-O 3.39Å; E283-K308 PolarHBondContact N-O 2.92Å; F293-K308 HydrophobicContact CE2-CD 4.18Å; F293-K308 HydrophobicContact CZ-CD 4.46Å; F293-K308 VanDerWaalsContact CZ-CE 3.42Å; F293-K308 VanDerWaalsContact CZ-NZ 3.25Å; N306-K308 VanDerWaalsContact O-CG 3.29Å; N306-K308 WeakPolarHBondContact O-CG 3.38Å; N306-K308 PolarHBondContact O-N 3.22Å; N306-K308 PolarHBondContact OD1-N 3.09Å; K308-E630 IonicContact NZ-OE1 3.13Å; K308-E630 PolarHBondContact NZ-OE1 3.01Å; K308-E630 IonicContact NZ-OE2 3.22Å; K308-R633 VanDerWaalsContact CB-NH1 3.26Å
309	D	85	Confident	68.8	Low	1 Å²	1	82.6 Å²	82.6	1%	0.005	47%	0.469	C	S	.	.			trans	-91.4	161	-178.7	-58.8	-24.9	0	0	0	110.7	H304 N306 R633 T634	H304-D309 HydrophobicContact CB-CB 3.89Å; H304-D309 WeakPolarHBondContact CB-O 3.08Å; H304-D309 PolarHBondContact N-O 3.26Å; N306-D309 PolarHBondContact ND2-OD2 3.39Å; N306-D309 PolarHBondContact OD1-N 3.13Å; D309-R633 IonicContact OD1-CZ 3.18Å; D309-R633 IonicContact OD1-NH1 3.09Å; D309-R633 PolarHBondContact OD1-NH1 2.75Å; D309-R633 WeakPolarHBondContact OD2-CA 3.09Å; D309-R633 WeakPolarHBondContact OD2-CD 3.5Å; D309-T634 HydrophobicContact CB-CG2 4.18Å; D309-T634 WeakPolarHBondContact CB-OG1 3.41Å; D309-T634 VanDerWaalsContact CG-OG1 3.31Å; D309-T634 PolarHBondContact OD2-N 3.06Å; D309-T634 PolarHBondContact OD2-OG1 3.3Å
310	C	86.3	Confident	66.3	Low	6 Å²	6	84.4 Å²	84.4	4%	0.041	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	108	-174.6	-70.6	0	0	0	0	109.7	E283 H284 C297 Y301 K302	E283-C310 WeakPolarHBondContact OE2-CA 3Å; E283-C310 PolarHBondContact OE2-N 3.18Å; H284-C310 VanDerWaalsContact ND1-CB 3.3Å; H284-C310 WeakPolarHBondContact ND1-CB 3.4Å; H284-C310 PolarHBondContact ND1-SG 2.71Å; C297-C310 WeakPolarHBondContact CA-SG 3.24Å; C297-C310 HydrophobicContact CB-CB 3.85Å; C297-C310 WeakPolarHBondContact CB-SG 3.46Å; C297-C310 VanDerWaalsContact SG-CA 3.54Å; C297-C310 WeakPolarHBondContact SG-CB 3.41Å; C297-C310 CovalentContact SG-SG 2.03Å; C297-C310 PolarHBondContact SG-SG 2.93Å; Y301-C310 HydrophobicContact CD1-CB 4.36Å; Y301-C310 WeakPolarHBondContact CD1-O 3.43Å; K302-C310 WeakPolarHBondContact O-CA 3.48Å
311	I	81.6	Confident	64.2	Low	52 Å²	52	87.3 Å²	87.3	27%	0.267	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	144.5	177.9	56.5	168.7	0	0	0	110.5	Y301 K302 H304 A313	Y301-I311 CarbonylContact C-O 3.5Å; Y301-I311 VanDerWaalsContact CA-O 3.32Å; Y301-I311 WeakPolarHBondContact CA-O 3.44Å; K302-I311 HydrophobicContact CD-CD1 4.3Å; K302-I311 HydrophobicContact CD-CG1 4.32Å; K302-I311 HydrophobicContact CG-CD1 4.13Å; K302-I311 HydrophobicContact CG-CG1 3.62Å; K302-I311 PolarHBondContact N-O 3.23Å; K302-I311 PolarHBondContact O-N 3Å; H304-I311 HydrophobicContact CB-CG2 4.33Å; I311-A313 PolarHBondContact O-N 3.39Å
312	K	76.3	Confident	62.4	Low	146 Å²	146	87.4 Å²	87.4	64%	0.635	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58	129.5	177	-72.2	179	-177.8	173.4	0	109.4	Y301 E314	Y301-K312 HydrophobicContact CD1-CG 3.89Å; Y301-K312 HydrophobicContact CE1-CB 4.39Å; Y301-K312 HydrophobicContact CE1-CD 4.37Å; Y301-K312 HydrophobicContact CE1-CG 3.33Å; Y301-K312 WeakPolarHBondContact OH-CE 3.41Å; K312-E314 PolarHBondContact O-N 2.86Å
313	A	67.9	Low	60.5	Low	41 Å²	41	86.9 Å²	86.9	34%	0.339	50%	0.502	S	S	.	.			trans	-76.6	94.2	171.7	0	0	0	0	0	107.8	G300 I311 G315	G300-A313 PolarHBondContact O-N 2.9Å; I311-A313 PolarHBondContact O-N 3.39Å; A313-G315 PolarHBondContact O-N 2.87Å
314	E	53.9	Low	58.9	Low	195 Å²	195	92.4 Å²	92.4	91%	0.911	52%	0.522	S	S	*	.	S	Bend	trans	-64.1	110.2	170.7	-78.7	-172.4	165.9	0	0	109.3	K312	K312-E314 PolarHBondContact O-N 2.86Å
315	G	54.5	Low	57.5	Low	68 Å²	68	93 Å²	93	70%	0.701	53%	0.528	S	S	*	.	S	Bend	trans	86.5	75.4	169.4	0	0	0	0	0	116.2	A313	A313-G315 PolarHBondContact O-N 2.87Å
316	L	34.7	Very low	56.2	Low	161 Å²	161	94 Å²	94	84%	0.843	54%	0.541	S	S	*	.			trans	-145.8	126.6	146.7	-77.9	-179.8	0	0	0	112
317	T	31.6	Very low	54.8	Low	125 Å²	125	95.3 Å²	95.3	77%	0.767	55%	0.547	S	S	*	.			trans	-52.7	163.9	160.7	40.9	0	0	0	0	112.5	A319	T317-A319 PolarHBondContact O-N 2.99Å
318	P	36.4	Very low	53.2	Low	125 Å²	125	94.6 Å²	94.6	81%	0.812	55%	0.55	S	S	*	*	S	Bend	trans	-65.9	136.5	-169.2	-1	12.8	0	0	0	112.9
319	A	33.9	Very low	51.4	Low	89 Å²	89	96.2 Å²	96.2	74%	0.736	57%	0.565	S	S	*	*			trans	48.9	102.7	158.5	0	0	0	0	0	118.4	T317	T317-A319 PolarHBondContact O-N 2.99Å
320	N	29.2	Very low	49.4	Very low	169 Å²	169	98.8 Å²	98.8	90%	0.904	58%	0.583	S	S	*	*			trans	-142.8	128	137.1	-91.8	-27.9	0	0	0	108.6
321	P	34.9	Very low	47.2	Very low	117 Å²	117	106.5 Å²	106.5	76%	0.76	62%	0.616	S	S	*	*			trans	-131.6	170.8	138.7	38.5	-27.7	0	0	0	110.6
322	P	44.4	Very low	45.2	Very low	91 Å²	91	110.4 Å²	110.4	59%	0.591	63%	0.633	S	S	*	*			cis	-122	158.4	-47	35.9	-22.3	0	0	0	109.8
323	S	42.9	Very low	43.3	Very low	99 Å²	99	112.9 Å²	112.9	69%	0.692	65%	0.646	S	S	*	*			trans	-149	74.8	164.2	51.5	0	0	0	0	111.9
324	K	48.3	Very low	42.1	Very low	190 Å²	190	112.9 Å²	112.9	83%	0.826	65%	0.65	S	S	*	*			trans	-118.9	120.8	149.4	-71.9	-175.9	-178.9	178.3	0	106.9
325	P	48.9	Very low	41.7	Very low	27 Å²	27	104.5 Å²	104.5	18%	0.175	62%	0.616	C	S	.	*			trans	-67.7	150.8	172.6	34.3	-37.3	0	0	0	109.2	N341 C342 C360 F514	P325-N341 WeakPolarHBondContact CA-O 3.49Å; P325-C342 HydrophobicContact CB-CB 4.44Å; P325-C342 WeakPolarHBondContact CB-SG 3.34Å; P325-C360 WeakPolarHBondContact CB-SG 3.01Å; P325-F514 HydrophobicContact CB-CE2 3.56Å; P325-F514 HydrophobicContact CB-CZ 4.07Å; P325-F514 HydrophobicContact CG-CD2 4.21Å; P325-F514 HydrophobicContact CG-CE2 3.4Å; P325-F514 HydrophobicContact CG-CZ 3.79Å; P325-F514 VanDerWaalsContact O-CZ 3.26Å; P325-F514 WeakPolarHBondContact O-CZ 3.43Å
326	T	47.6	Very low	41.3	Very low	83 Å²	83	103 Å²	103	51%	0.509	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.6	131.7	-173	45.3	0	0	0	0	111.1	L340 N341	T326-L340 CarbonylContact O-C 3.54Å; T326-L340 WeakPolarHBondContact O-CA 3.14Å; T326-N341 PolarHBondContact N-O 2.72Å; T326-N341 PolarHBondContact O-N 3.14Å
327	L	48.2	Very low	41.7	Very low	49 Å²	49	99.7 Å²	99.7	26%	0.257	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116	114.9	172.6	180	72.5	0	0	0	108	F339 L340 F514	L327-F339 CarbonylContact C-O 3.59Å; L327-F339 WeakPolarHBondContact CA-O 3.39Å; L327-L340 HydrophobicContact CB-CD1 4Å; L327-L340 HydrophobicContact CD1-CB 3.84Å; L327-L340 HydrophobicContact CD1-CD1 3.92Å; L327-L340 HydrophobicContact CD1-CG 4.46Å; L327-F514 HydrophobicContact CB-CE1 4.34Å; L327-F514 HydrophobicContact CB-CZ 4.3Å
328	N	46.5	Very low	42.6	Very low	124 Å²	124	94.2 Å²	94.2	66%	0.663	54%	0.535	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.4	118.4	-176.6	-136.7	4.6	0	0	0	109.6	C338 F339	N328-C338 CarbonylContact O-C 3.54Å; N328-C338 WeakPolarHBondContact O-CA 3.07Å; N328-F339 PolarHBondContact N-O 3Å; N328-F339 PolarHBondContact O-N 3.34Å
329	C	45.5	Very low	42.9	Very low	63 Å²	63	92.2 Å²	92.2	43%	0.426	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	123.5	-178.5	-65.3	0	0	0	0	110.5	R337 C338	C329-R337 WeakPolarHBondContact CA-O 3.48Å; C329-C338 HydrophobicContact CB-CB 4.1Å; C329-C338 WeakPolarHBondContact CB-SG 3.36Å; C329-C338 WeakPolarHBondContact SG-CB 3.25Å; C329-C338 CovalentContact SG-SG 2.04Å; C329-C338 PolarHBondContact SG-SG 3.47Å
330	S	43.6	Very low	43.9	Very low	55 Å²	55	88.7 Å²	88.7	39%	0.385	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	139.7	175.3	61.8	0	0	0	0	111.3	R337	S330-R337 PolarHBondContact N-O 2.95Å; S330-R337 PolarHBondContact O-N 2.91Å
331	K	41.3	Very low	44.9	Very low	168 Å²	168	82.8 Å²	82.8	73%	0.73	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	117.4	176.6	-70	-166.8	169	173.4	0	110	D336	K331-D336 WeakPolarHBondContact CE-OD1 3.36Å; K331-D336 WeakPolarHBondContact CE-OD2 3.31Å; K331-D336 WeakPolarHBondContact CG-OD1 3.41Å
332	Q	38.3	Very low	45.9	Very low	134 Å²	134	77.5 Å²	77.5	63%	0.626	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	154.2	167.5	-88.1	-178.3	-9.2	0	0	110	G334 G335	Q332-G334 VanDerWaalsContact C-N 3.34Å; Q332-G334 PolarHBondContact O-N 3.33Å; Q332-G335 PolarHBondContact O-N 2.02Å; Q332-G335 VanDerWaalsContact O-N 3.14Å
333	H	36.1	Very low	46.2	Very low	198 Å²	198	79.3 Å²	79.3	92%	0.917	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	90.2	180	-89.1	-94.2	0	0	0	111.4
334	G	43	Very low	46.6	Very low	41 Å²	41	77.2 Å²	77.2	42%	0.423	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	158.3	-38.1	-176.8	0	0	0	0	0	113.1	Q332 S442	Q332-G334 VanDerWaalsContact C-N 3.34Å; Q332-G334 PolarHBondContact O-N 3.33Å; G334-S442 VanDerWaalsContact O-CB 3.25Å; G334-S442 WeakPolarHBondContact O-CB 2.93Å; G334-S442 PolarHBondContact O-OG 3.39Å
335	G	45.7	Very low	46.7	Very low	19 Å²	19	73.1 Å²	73.1	20%	0.196	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157.2	164.8	-178.9	0	0	0	0	0	112.3	Q332 S442	Q332-G335 PolarHBondContact O-N 2.02Å; Q332-G335 VanDerWaalsContact O-N 3.14Å; G335-S442 PolarHBondContact N-OG 2.87Å
336	D	46.9	Very low	46.8	Very low	37 Å²	37	72 Å²	72	20%	0.198	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	127	-174.7	-64.8	9.8	0	0	0	111.2	K331	K331-D336 WeakPolarHBondContact CE-OD1 3.36Å; K331-D336 WeakPolarHBondContact CE-OD2 3.31Å; K331-D336 WeakPolarHBondContact CG-OD1 3.41Å
337	R	43	Very low	47	Very low	90 Å²	90	72.3 Å²	72.3	34%	0.34	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	101.1	172.8	-68.3	179.3	86.8	159.9	-2.8	109	C329 S330 F339 H439 C440	C329-R337 WeakPolarHBondContact CA-O 3.48Å; S330-R337 PolarHBondContact N-O 2.95Å; S330-R337 PolarHBondContact O-N 2.91Å; R337-F339 HydrophobicContact CB-CE2 4.09Å; R337-H439 VanDerWaalsContact CZ-NE2 3.32Å; R337-H439 PolarHBondContact NE-NE2 2.99Å; R337-H439 PolarHBondContact NH2-CE1 3.45Å; R337-H439 PolarHBondContact NH2-NE2 3.18Å; R337-C440 WeakPolarHBondContact CG-O 3.09Å
338	C	49.1	Very low	47	Very low	10 Å²	10	71.8 Å²	71.8	7%	0.068	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	134.6	174.8	-67.6	0	0	0	0	111.2	N328 C329 L405	N328-C338 CarbonylContact O-C 3.54Å; N328-C338 WeakPolarHBondContact O-CA 3.07Å; C329-C338 HydrophobicContact CB-CB 4.1Å; C329-C338 WeakPolarHBondContact CB-SG 3.36Å; C329-C338 WeakPolarHBondContact SG-CB 3.25Å; C329-C338 CovalentContact SG-SG 2.04Å; C329-C338 PolarHBondContact SG-SG 3.47Å; C338-L405 HydrophobicContact CB-CD1 3.84Å
339	F	44.3	Very low	47	Very low	83 Å²	83	68.9 Å²	68.9	36%	0.364	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	117.1	175.9	-59.6	-93.1	0	0	0	108.7	L327 N328 R337 L438 H439	L327-F339 CarbonylContact C-O 3.59Å; L327-F339 WeakPolarHBondContact CA-O 3.39Å; N328-F339 PolarHBondContact N-O 3Å; N328-F339 PolarHBondContact O-N 3.34Å; R337-F339 HydrophobicContact CB-CE2 4.09Å; F339-L438 WeakPolarHBondContact CA-O 3.4Å; F339-H439 AromaticContact CD1-CD2 3.99Å; F339-H439 AromaticContact CE1-CD2 3.31Å; F339-H439 WeakPolarHBondContact CE1-CD2 3.28Å; F339-H439 AromaticContact CE1-NE2 3.89Å; F339-H439 AromaticContact CZ-CD2 3.64Å; F339-H439 AromaticContact CZ-NE2 3.84Å
340	L	53.8	Low	46.9	Very low	15 Å²	15	67.9 Å²	67.9	8%	0.079	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	123.9	171.1	179.6	69	0	0	0	108.3	T326 L327 V436 S437 L438 L512 F514	T326-L340 CarbonylContact O-C 3.54Å; T326-L340 WeakPolarHBondContact O-CA 3.14Å; L327-L340 HydrophobicContact CB-CD1 4Å; L327-L340 HydrophobicContact CD1-CB 3.84Å; L327-L340 HydrophobicContact CD1-CD1 3.92Å; L327-L340 HydrophobicContact CD1-CG 4.46Å; L340-V436 VanDerWaalsContact O-O 3.1Å; L340-S437 WeakPolarHBondContact O-CA 3.06Å; L340-L438 HydrophobicContact CB-CB 4.36Å; L340-L438 HydrophobicContact CD2-CD1 3.97Å; L340-L512 HydrophobicContact CD2-CD1 4.23Å; L340-L512 HydrophobicContact CD2-CD2 4.42Å; L340-F514 HydrophobicContact CD1-CD2 3.7Å; L340-F514 HydrophobicContact CD1-CE2 3.42Å; L340-F514 VanDerWaalsContact CD1-CE2 3.42Å; L340-F514 HydrophobicContact CD1-CZ 4.14Å
341	N	51.5	Low	47.2	Very low	46 Å²	46	66.6 Å²	66.6	25%	0.246	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	122.1	177.4	-170.6	8.1	0	0	0	111.2	P325 T326 Y435	P325-N341 WeakPolarHBondContact CA-O 3.49Å; T326-N341 PolarHBondContact N-O 2.72Å; T326-N341 PolarHBondContact O-N 3.14Å; N341-Y435 WeakPolarHBondContact OD1-CD2 3.42Å; N341-Y435 WeakPolarHBondContact OD1-CE2 2.99Å
342	C	54.6	Low	47.3	Very low	5 Å²	5	63.9 Å²	63.9	3%	0.034	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	116.3	179.6	-86	0	0	0	0	109.6	P325 V346 C360 Y435	P325-C342 HydrophobicContact CB-CB 4.44Å; P325-C342 WeakPolarHBondContact CB-SG 3.34Å; C342-V346 HydrophobicContact CB-CG2 3.75Å; C342-C360 HydrophobicContact CB-CB 4.27Å; C342-C360 WeakPolarHBondContact CB-SG 3.13Å; C342-C360 WeakPolarHBondContact SG-CB 3.47Å; C342-C360 CovalentContact SG-SG 2.04Å; C342-C360 PolarHBondContact SG-SG 2.82Å; C342-Y435 WeakPolarHBondContact O-CA 3.08Å
343	Q	51.9	Low	47.3	Very low	130 Å²	130	65.6 Å²	65.6	61%	0.607	36%	0.355	S	S	*	.			trans	-100.9	3.1	-174.5	-91.9	-176.8	-15.6	0	0	115.9	Y435	Q343-Y435 HydrophobicContact CG-CD2 4.38Å
344	S	50.1	Low	47.6	Very low	54 Å²	54	60.7 Å²	60.7	38%	0.378	34%	0.336	S	S	.	.	S	Bend	trans	-167	147.3	158.3	50.8	0	0	0	0	113.9
345	Q	51.3	Low	47.3	Very low	105 Å²	105	60 Å²	60	49%	0.491	33%	0.325	S	S	.	.			trans	62.6	65.7	170	-56.2	178.6	31.7	0	0	115.9
346	V	50.2	Low	47.2	Very low	4 Å²	4	61.5 Å²	61.5	2%	0.024	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	122	171.1	-177.7	0	0	0	0	110.2	C342 V358 F433 V436	C342-V346 HydrophobicContact CB-CG2 3.75Å; V346-V358 HydrophobicContact CG1-CG1 3.5Å; V346-V358 VanDerWaalsContact CG1-CG1 3.5Å; V346-F433 HydrophobicContact CB-CB 4.37Å; V346-V436 HydrophobicContact CG1-CG2 4.41Å; V346-V436 HydrophobicContact CG2-CG2 4.39Å
347	H	51.3	Low	47.1	Very low	89 Å²	89	61.1 Å²	61.1	41%	0.412	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	135.2	175.5	-73.5	-80.5	0	0	0	111	V358 T359	H347-V358 WeakPolarHBondContact O-CA 3.46Å; H347-T359 PolarHBondContact N-O 2.9Å; H347-T359 PolarHBondContact O-N 2.79Å; H347-T359 PolarHBondContact O-OG1 2.04Å
348	I	49.7	Very low	47.4	Very low	38 Å²	38	58 Å²	58	20%	0.195	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	112.7	174.3	-51.2	-178.5	0	0	0	107	Y356 T357 V358 F433 L501	I348-Y356 HydrophobicContact CG2-CD1 4.44Å; I348-T357 WeakPolarHBondContact CA-O 3.41Å; I348-V358 HydrophobicContact CG1-CG2 4.2Å; I348-F433 HydrophobicContact CD1-CD2 4.35Å; I348-F433 HydrophobicContact CD1-CE2 3.82Å; I348-L501 HydrophobicContact CD1-CD1 4.42Å
349	S	46.3	Very low	47.5	Very low	62 Å²	62	60.2 Å²	60.2	43%	0.434	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	144.5	173.7	53.7	0	0	0	0	110.4	Y356 T357	S349-Y356 WeakPolarHBondContact O-CA 2.98Å; S349-T357 PolarHBondContact N-O 3.49Å; S349-T357 VanDerWaalsContact N-O 3.11Å; S349-T357 PolarHBondContact O-N 3.33Å
350	S	43.6	Very low	47.7	Very low	42 Å²	42	57 Å²	57	29%	0.294	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	117.7	165.7	57.2	0	0	0	0	108.7	S355	S350-S355 CarbonylContact C-O 3.53Å; S350-S355 WeakPolarHBondContact CA-O 3.47Å
351	G	48.7	Very low	47.4	Very low	28 Å²	28	58.6 Å²	58.6	29%	0.289	34%	0.336	S	S	.	.			trans	-77.1	175.8	168	0	0	0	0	0	111.8	S355	G351-S355 WeakPolarHBondContact CA-OG 3.29Å; G351-S355 PolarHBondContact N-O 3.37Å
352	T	43.2	Very low	46.7	Very low	112 Å²	112	63.8 Å²	63.8	69%	0.687	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	142.3	171.7	47.5	0	0	0	0	110	S355	T352-S355 PolarHBondContact O-OG 3.08Å
353	E	38.9	Very low	45.8	Very low	169 Å²	169	68.9 Å²	68.9	79%	0.79	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	46.5	-177.1	-54.7	-166.7	156.7	0	0	117	S355 Q509	E353-S355 PolarHBondContact O-N 2.94Å; E353-Q509 PolarHBondContact O-NE2 2.91Å
354	D	42.6	Very low	44.8	Very low	96 Å²	96	69.8 Å²	69.8	51%	0.513	40%	0.402	S	S	.	.	S	Bend	trans	58.6	19.6	175.1	-75	-21.7	0	0	0	114.2	Y356	D354-Y356 WeakPolarHBondContact O-CD2 3.49Å; D354-Y356 WeakPolarHBondContact O-CE2 3.29Å
355	S	35.7	Very low	43.9	Very low	27 Å²	27	73 Å²	73	19%	0.189	42%	0.421	C	S	.	.			trans	-82.3	143.3	172.9	61.4	0	0	0	0	110.7	S350 G351 T352 E353	S350-S355 CarbonylContact C-O 3.53Å; S350-S355 WeakPolarHBondContact CA-O 3.47Å; G351-S355 WeakPolarHBondContact CA-OG 3.29Å; G351-S355 PolarHBondContact N-O 3.37Å; T352-S355 PolarHBondContact O-OG 3.08Å; E353-S355 PolarHBondContact O-N 2.94Å
356	Y	44.2	Very low	42.6	Very low	49 Å²	49	74.1 Å²	74.1	19%	0.192	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	129.6	178.9	-67.2	-89.5	0	0	0	110.7	I348 S349 D354 S504 H511	I348-Y356 HydrophobicContact CG2-CD1 4.44Å; S349-Y356 WeakPolarHBondContact O-CA 2.98Å; D354-Y356 WeakPolarHBondContact O-CD2 3.49Å; D354-Y356 WeakPolarHBondContact O-CE2 3.29Å; Y356-S504 WeakPolarHBondContact CD2-OG 3.45Å; Y356-H511 PolarHBondContact O-N 2.93Å
357	T	44.3	Very low	41.7	Very low	29 Å²	29	82.4 Å²	82.4	18%	0.178	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.3	-179.1	-48.9	0	0	0	0	109.9	I348 S349 T359 H513	I348-T357 WeakPolarHBondContact CA-O 3.41Å; S349-T357 PolarHBondContact N-O 3.49Å; S349-T357 VanDerWaalsContact N-O 3.11Å; S349-T357 PolarHBondContact O-N 3.33Å; T357-T359 HydrophobicContact CG2-CG2 4.25Å; T357-H513 HydrophobicContact CG2-CB 3.8Å
358	V	51.2	Low	40.8	Very low	25 Å²	25	83.2 Å²	83.2	15%	0.152	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	117	174.2	-174.9	0	0	0	0	108.8	V346 H347 I348 F510 H513	V346-V358 HydrophobicContact CG1-CG1 3.5Å; V346-V358 VanDerWaalsContact CG1-CG1 3.5Å; H347-V358 WeakPolarHBondContact O-CA 3.46Å; I348-V358 HydrophobicContact CG1-CG2 4.2Å; V358-F510 HydrophobicContact CG2-CE2 4.16Å; V358-F510 HydrophobicContact CG2-CZ 4.12Å; V358-H513 VanDerWaalsContact O-O 3.11Å
359	T	50.4	Low	39.8	Very low	56 Å²	56	84.7 Å²	84.7	34%	0.344	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	138.5	179.9	45.5	0	0	0	0	111.4	H347 T357 H513	H347-T359 PolarHBondContact N-O 2.9Å; H347-T359 PolarHBondContact O-N 2.79Å; H347-T359 PolarHBondContact O-OG1 2.04Å; T357-T359 HydrophobicContact CG2-CG2 4.25Å; T359-H513 HydrophobicContact CG2-CB 4.21Å
360	C	49.2	Very low	38.9	Very low	16 Å²	16	89.5 Å²	89.5	11%	0.108	55%	0.548	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	129.6	-177.6	179.9	0	0	0	0	111	P325 C342	P325-C360 WeakPolarHBondContact CB-SG 3.01Å; C342-C360 HydrophobicContact CB-CB 4.27Å; C342-C360 WeakPolarHBondContact CB-SG 3.13Å; C342-C360 WeakPolarHBondContact SG-CB 3.47Å; C342-C360 CovalentContact SG-SG 2.04Å; C342-C360 PolarHBondContact SG-SG 2.82Å
361	G	45.9	Very low	38.1	Very low	48 Å²	48	96.2 Å²	96.2	50%	0.495	58%	0.575	S	S	.	*	S	Bend	trans	87.5	24	168.7	0	0	0	0	0	118.5
362	M	38.3	Very low	37.3	Very low	155 Å²	155	104.9 Å²	104.9	76%	0.764	61%	0.605	S	S	*	*			trans	-116.9	125.8	173.4	-71.1	-91.9	-70.4	0	0	110.8
363	P	34.7	Very low	36.6	Very low	112 Å²	112	105.2 Å²	105.2	73%	0.727	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-74.7	134	166.1	4.8	9.7	0	0	0	110
364	L	31.4	Very low	36.5	Very low	150 Å²	150	104.8 Å²	104.8	79%	0.785	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-58.2	138.8	173.6	-84.5	139.3	0	0	0	111.5	C366	L364-C366 PolarHBondContact O-N 2.78Å
365	P	30.3	Very low	35.9	Very low	120 Å²	120	105.7 Å²	105.7	78%	0.779	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-72.7	126.1	166.7	23.2	-20.9	0	0	0	110.2	L367	P365-L367 PolarHBondContact O-N 3.08Å
366	C	25.7	Very low	35.5	Very low	130 Å²	130	108.9 Å²	108.9	88%	0.878	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-63.2	121.6	176.1	-62.5	0	0	0	0	111	L364 A368	L364-C366 PolarHBondContact O-N 2.78Å; C366-A368 PolarHBondContact O-N 2.83Å
367	L	30.3	Very low	34.7	Very low	178 Å²	178	111.5 Å²	111.5	93%	0.932	69%	0.691	S	S	*	*			trans	-69.6	113.6	164.5	-92	161.2	0	0	0	109.2	P365	P365-L367 PolarHBondContact O-N 3.08Å
368	A	32.2	Very low	33.9	Very low	106 Å²	106	119 Å²	119	88%	0.876	72%	0.724	S	S	*	*			trans	-72.5	129.7	174	0	0	0	0	0	111.1	C366	C366-A368 PolarHBondContact O-N 2.83Å
369	G	28	Very low	32.6	Very low	68 Å²	68	124 Å²	124	70%	0.701	76%	0.759	S	S	*	*			trans	-157.6	79.3	171.8	0	0	0	0	0	112.7
370	I	28.1	Very low	31.6	Very low	164 Å²	164	129.6 Å²	129.6	84%	0.841	79%	0.785	S	S	*	*			trans	49.4	108.8	142.4	-54	174.7	0	0	0	116.3
371	Q	26.4	Very low	30.5	Very low	183 Å²	183	131.9 Å²	131.9	86%	0.855	81%	0.812	S	S	*	*				-153.4	142.6	58.3	-72.9	-164.9	0.2	0	0	115
372	K	33.5	Very low	29.7	Very low	209 Å²	209	135.1 Å²	135.1	91%	0.909	82%	0.824	S	S	*	*			trans	-5.4	124.6	159	-68	174.5	174.6	177.2	0	119.8
373	S	26.7	Very low	29.3	Very low	120 Å²	120	137.1 Å²	137.1	84%	0.839	83%	0.832	S	S	*	*				-177.7	141.1	121.2	-178.9	0	0	0	0	111.1	S375	S373-S375 PolarHBondContact O-N 2.84Å
374	N	37.4	Very low	29	Very low	160 Å²	160	140.6 Å²	140.6	86%	0.856	84%	0.835	S	S	*	*			trans	-50.7	121.4	177.7	-104.3	-6.7	0	0	0	113
375	S	30	Very low	29.2	Very low	114 Å²	114	138.7 Å²	138.7	80%	0.797	84%	0.842	S	S	*	*			trans	163.1	113.8	146.6	-71.4	0	0	0	0	108.8	S373 S377	S373-S375 PolarHBondContact O-N 2.84Å; S375-S377 PolarHBondContact O-N 2.62Å; S375-S377 VanDerWaalsContact O-N 3.14Å
376	G	28.3	Very low	29.8	Very low	94 Å²	94	136.3 Å²	136.3	97%	0.969	84%	0.838	S	S	*	*			trans	-72.4	103.1	176.4	0	0	0	0	0	111.3
377	S	27.2	Very low	30.6	Very low	105 Å²	105	133.4 Å²	133.4	73%	0.734	82%	0.817	S	S	*	*			trans	-124.2	113.4	169.9	-172.6	0	0	0	0	108.5	S375	S375-S377 PolarHBondContact O-N 2.62Å; S375-S377 VanDerWaalsContact O-N 3.14Å
378	H	27.6	Very low	31.2	Very low	186 Å²	186	132.4 Å²	132.4	86%	0.861	81%	0.807	S	S	*	*			trans	-89.8	130.2	164.8	-83.2	-78.2	0	0	0	108.6	L380	H378-L380 PolarHBondContact O-N 2.76Å
379	C	23.8	Very low	32	Very low	130 Å²	130	135.1 Å²	135.1	88%	0.878	79%	0.794	S	S	*	*			trans	-69.9	107.9	179.9	-59.5	0	0	0	0	111.3
380	L	28.3	Very low	33.2	Very low	173 Å²	173	132.4 Å²	132.4	91%	0.906	76%	0.764	S	S	*	*			trans	-87.1	115.6	160.8	-84.9	152.2	0	0	0	108.4	H378	H378-L380 PolarHBondContact O-N 2.76Å
381	G	27.6	Very low	34.1	Very low	65 Å²	65	130.9 Å²	130.9	67%	0.67	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-81.4	142.7	163.1	0	0	0	0	0	110
382	P	27.2	Very low	35	Very low	116 Å²	116	124.4 Å²	124.4	75%	0.753	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-75.4	136.2	-174.6	21.2	-15.9	0	0	0	111.7	K384	P382-K384 PolarHBondContact O-N 3.2Å
383	E	30.9	Very low	35.5	Very low	197 Å²	197	118.9 Å²	118.9	92%	0.921	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-56.1	123.2	167.9	-67.4	-173.3	152.3	0	0	110.2
384	K	29.2	Very low	36.5	Very low	184 Å²	184	113.5 Å²	113.5	80%	0.8	67%	0.67	S	S	*	*			trans	-112.5	124.4	166.8	-78.4	-173.1	179.5	176.7	0	110	P382	P382-K384 PolarHBondContact O-N 3.2Å
385	A	34.2	Very low	36.9	Very low	111 Å²	111	108.8 Å²	108.8	92%	0.917	65%	0.648	S	S	*	*	S	Bend	trans	-66.7	133.5	171	0	0	0	0	0	111.2
386	G	43.4	Very low	38.2	Very low	69 Å²	69	103.6 Å²	103.6	71%	0.711	61%	0.611	S	S	*	*			trans	104	71.4	167.8	0	0	0	0	0	115.8
387	V	42.3	Very low	39.1	Very low	70 Å²	70	107.4 Å²	107.4	42%	0.424	60%	0.601	S	S	.	*			trans	-107.6	125.2	169.8	-175.6	0	0	0	0	109.7	D470	V387-D470 HydrophobicContact CG1-CB 4.34Å
388	H	42.7	Very low	40.2	Very low	157 Å²	157	104.4 Å²	104.4	73%	0.727	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-77.1	119.4	171.3	-74.2	-62.5	0	0	0	110.2
389	R	49.6	Very low	41.3	Very low	162 Å²	162	97.7 Å²	97.7	61%	0.611	56%	0.561	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.8	140.6	-178.5	-57	-175.5	-156.1	178.2	1.9	111.7	D470	R389-D470 WeakPolarHBondContact CG-OD1 3.33Å
390	I	52.1	Low	42.3	Very low	11 Å²	11	95.4 Å²	95.4	6%	0.056	54%	0.543	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	117.4	172.7	-56.2	173.4	0	0	0	108.2	E468 L469 V471 R487 E491	I390-E468 WeakPolarHBondContact O-CA 3.06Å; I390-L469 PolarHBondContact N-O 3.17Å; I390-L469 VanDerWaalsContact N-O 3.08Å; I390-L469 PolarHBondContact O-N 3.34Å; I390-V471 HydrophobicContact CD1-CG2 3.43Å; I390-V471 VanDerWaalsContact CD1-CG2 3.43Å; I390-V471 HydrophobicContact CG1-CG2 3.63Å; I390-R487 HydrophobicContact CD1-CG 3.74Å; I390-R487 HydrophobicContact CG1-CG 4.34Å; I390-E491 HydrophobicContact CD1-CG 4.17Å; I390-E491 HydrophobicContact CG2-CG 4.23Å
391	K	46.9	Very low	43.2	Very low	133 Å²	133	88.9 Å²	88.9	58%	0.578	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	132.2	172.1	-53	-161.9	-176.7	-148.9	0	110.1	E468	K391-E468 HydrophobicContact CD-CG 4.33Å; K391-E468 WeakPolarHBondContact CD-OE1 3.48Å; K391-E468 WeakPolarHBondContact CE-OE1 3.18Å; K391-E468 HydrophobicContact CG-CG 3.99Å; K391-E468 IonicContact NZ-OE1 3.68Å; K391-E468 PolarHBondContact NZ-OE1 2.89Å
392	T	46.1	Very low	44.2	Very low	46 Å²	46	92.2 Å²	92.2	28%	0.282	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	141.1	170.6	-150.4	0	0	0	0	111.3	F467 L494 I498	T392-F467 HydrophobicContact CG2-CB 4.24Å; T392-F467 HydrophobicContact CG2-CD2 4.48Å; T392-F467 PolarHBondContact N-O 2.9Å; T392-F467 PolarHBondContact O-N 2.64Å; T392-L494 HydrophobicContact CG2-CD1 4.13Å; T392-L494 HydrophobicContact CG2-CD2 3.37Å; T392-L494 HydrophobicContact CG2-CG 3.77Å; T392-I498 HydrophobicContact CG2-CD1 3.62Å
393	T	43.6	Very low	45	Very low	94 Å²	94	87.7 Å²	87.7	58%	0.577	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.3	177.7	47.4	0	0	0	0	109.6	E466	T393-E466 HydrophobicContact CG2-CB 4.01Å; T393-E466 HydrophobicContact CG2-CG 3.76Å
394	A	49	Very low	45.8	Very low	6 Å²	6	80.4 Å²	80.4	5%	0.05	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124	176	0	0	0	0	0	110.2	F396 A465 F467 I498	A394-F396 HydrophobicContact CB-CE1 4.46Å; A394-F396 HydrophobicContact CB-CE2 4.11Å; A394-F396 HydrophobicContact CB-CZ 3.82Å; A394-A465 PolarHBondContact N-O 3.02Å; A394-A465 PolarHBondContact O-N 3.26Å; A394-F467 HydrophobicContact CB-CD2 4.47Å; A394-F467 HydrophobicContact CB-CE2 4.03Å; A394-I498 HydrophobicContact CB-CB 4.49Å; A394-I498 HydrophobicContact CB-CD1 4.08Å; A394-I498 HydrophobicContact CB-CG1 4.15Å; A394-I498 HydrophobicContact CB-CG2 3.51Å
395	T	45.9	Very low	46.6	Very low	62 Å²	62	74.1 Å²	74.1	38%	0.38	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	131.9	174.6	-29.6	0	0	0	0	109.9	A462 T464 R502	T395-A462 HydrophobicContact CG2-CB 4.07Å; T395-T464 HydrophobicContact CG2-CG2 3.94Å; T395-R502 PolarHBondContact O-NH2 3.35Å
396	F	56.5	Low	46.9	Very low	5 Å²	5	75.5 Å²	75.5	2%	0.022	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	121.8	176.8	-49.1	-80.7	0	0	0	107.6	A394 A462 I463 A465 F467 I498 L501 R502 I505	A394-F396 HydrophobicContact CB-CE1 4.46Å; A394-F396 HydrophobicContact CB-CE2 4.11Å; A394-F396 HydrophobicContact CB-CZ 3.82Å; F396-A462 CarbonylContact O-C 3.56Å; F396-A462 VanDerWaalsContact O-CA 3.28Å; F396-A462 WeakPolarHBondContact O-CA 3.47Å; F396-I463 HydrophobicContact CD2-CB 4.49Å; F396-I463 WeakPolarHBondContact CD2-O 3.02Å; F396-I463 PolarHBondContact N-O 3.07Å; F396-I463 PolarHBondContact O-N 2.73Å; F396-A465 HydrophobicContact CE2-CB 3.75Å; F396-F467 HydrophobicContact CZ-CE2 4.47Å; F396-I498 HydrophobicContact CE1-CG2 4.23Å; F396-I498 HydrophobicContact CZ-CG2 4.32Å; F396-L501 HydrophobicContact CE1-CB 4.26Å; F396-L501 HydrophobicContact CZ-CB 4.28Å; F396-R502 HydrophobicContact CD1-CB 3.71Å; F396-R502 HydrophobicContact CD1-CG 3.99Å; F396-R502 HydrophobicContact CE1-CB 3.8Å; F396-I505 HydrophobicContact CB-CD1 4.25Å; F396-I505 HydrophobicContact CD1-CD1 4.04Å; F396-I505 HydrophobicContact CD2-CD1 3.93Å; F396-I505 HydrophobicContact CE1-CD1 4.37Å; F396-I505 HydrophobicContact CE2-CD1 4.26Å; F396-I505 HydrophobicContact CG-CD1 3.81Å; F396-I505 HydrophobicContact CZ-CD1 4.47Å
397	K	47.7	Very low	46.8	Very low	173 Å²	173	81.1 Å²	81.1	75%	0.752	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.5	178.8	-63.3	-176.1	178.2	-174.2	0	107.6	A462	K397-A462 HydrophobicContact CG-CB 4.42Å
398	S	49.6	Very low	46.6	Very low	43 Å²	43	80 Å²	80	30%	0.301	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	150.2	174	-165.2	0	0	0	0	110.1	F461	S398-F461 PolarHBondContact N-O 2.95Å; S398-F461 VanDerWaalsContact N-O 3.09Å; S398-F461 PolarHBondContact O-N 3.13Å; S398-F461 VanDerWaalsContact O-O 3.12Å
399	G	49.7	Very low	46.3	Very low	44 Å²	44	81.9 Å²	81.9	45%	0.454	41%	0.413	S	S	.	.			trans	-64.3	176.9	-169.3	0	0	0	0	0	114.9	A401	G399-A401 PolarHBondContact O-N 3.44Å
400	T	45	Very low	45.5	Very low	82 Å²	82	82.7 Å²	82.7	50%	0.503	42%	0.423	S	S	.	.	S	Bend	trans	-42.4	84.8	-167.4	65.7	0	0	0	0	115.9	D459	T400-D459 WeakPolarHBondContact CA-O 3.49Å; T400-D459 WeakPolarHBondContact CG2-O 3.45Å
401	A	47.6	Very low	44.4	Very low	36 Å²	36	92.2 Å²	92.2	30%	0.298	46%	0.464	S	S	.	.			trans	-158	150.7	171.3	0	0	0	0	0	112.6	G399 F461 R523	G399-A401 PolarHBondContact O-N 3.44Å; A401-F461 WeakPolarHBondContact O-CB 3.18Å; A401-R523 HydrophobicContact CB-CG 3.68Å
402	K	49.2	Very low	43.5	Very low	135 Å²	135	91.3 Å²	91.3	59%	0.587	47%	0.465	S	S	*	.			trans	-83.6	136.9	170.5	-75.7	-175.9	176.9	-178.5	0	110.6	N404	K402-N404 PolarHBondContact O-N 2.77Å
403	C	44.7	Very low	42.6	Very low	21 Å²	21	99.5 Å²	99.5	14%	0.142	49%	0.491	C	S	.	.			trans	-74.2	113	175.9	-168.7	0	0	0	0	110	C440 F461	C403-C440 HydrophobicContact CB-CB 4.1Å; C403-C440 WeakPolarHBondContact CB-SG 3.17Å; C403-C440 WeakPolarHBondContact SG-CB 3.42Å; C403-C440 CovalentContact SG-SG 2.05Å; C403-C440 PolarHBondContact SG-SG 3.06Å; C403-F461 HydrophobicContact CB-CD2 4.34Å; C403-F461 HydrophobicContact CB-CE2 4.29Å
404	N	47.1	Very low	41.9	Very low	45 Å²	45	104 Å²	104	24%	0.241	51%	0.505	C	S	.	.			trans	-129	117.6	172.2	-95	-48.5	0	0	0	108.8	K402	K402-N404 PolarHBondContact O-N 2.77Å
405	L	45.3	Very low	40.8	Very low	51 Å²	51	109.2 Å²	109.2	27%	0.267	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	110.9	171.8	-88.3	146.9	0	0	0	108.3	C338 L512 Y519 L521	C338-L405 HydrophobicContact CB-CD1 3.84Å; L405-L512 HydrophobicContact CD2-CD2 4.39Å; L405-Y519 HydrophobicContact CD2-CD1 4.36Å; L405-Y519 HydrophobicContact CD2-CG 4.42Å; L405-L521 HydrophobicContact CG-CD2 4.35Å
406	K	41.8	Very low	39.9	Very low	141 Å²	141	114.5 Å²	114.5	61%	0.613	56%	0.56	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-105.2	136.4	171.1	-79.2	-172.3	175.1	-175.8	0	109.7	S408 D520	K406-S408 PolarHBondContact O-N 2.78Å; K406-D520 PolarHBondContact N-O 2.67Å; K406-D520 PolarHBondContact O-N 3.41Å
407	R	39.6	Very low	38.6	Very low	187 Å²	187	120.7 Å²	120.7	71%	0.706	59%	0.593	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70.3	116.4	167.7	-175.1	177.2	178.9	180	0.7	107.4	Y519	R407-Y519 HydrophobicContact CB-CD1 4.38Å; R407-Y519 HydrophobicContact CB-CE1 3.83Å; R407-Y519 HydrophobicContact CG-CE1 4.28Å
408	S	38.8	Very low	37.6	Very low	47 Å²	47	117.9 Å²	117.9	33%	0.329	60%	0.595	S	S	.	*			trans	-72.7	142.2	174.7	84	0	0	0	0	108.9	K406 D518	K406-S408 PolarHBondContact O-N 2.78Å; S408-D518 PolarHBondContact N-O 3.1Å; S408-D518 VanDerWaalsContact N-O 3.14Å
409	Q	36	Very low	36.6	Very low	196 Å²	196	119.8 Å²	119.8	92%	0.916	61%	0.613	S	S	*	*			trans	-114.3	71.3	177.9	-134.6	-178.2	-8	0	0	107.8
410	E	32.6	Very low	35.7	Very low	179 Å²	179	127 Å²	127	84%	0.836	64%	0.635	S	S	*	*			trans	-120.6	141.8	170.3	-77	-166.9	162.6	0	0	112
411	K	28.8	Very low	34.9	Very low	211 Å²	211	127.8 Å²	127.8	92%	0.917	64%	0.643	S	S	*	*			trans	-73.5	121.1	-173.1	-72.1	171.3	174.1	174.9	0	110.6	W413	K411-W413 PolarHBondContact O-N 3.41Å
412	L	28.5	Very low	33.7	Very low	114 Å²	114	133.8 Å²	133.8	60%	0.597	67%	0.67	S	S	*	*	S	Bend	trans	-71.2	103.2	166.8	-88.2	160.4	0	0	0	110.7	F416	L412-F416 HydrophobicContact CD2-CE2 4.28Å
413	W	27.5	Very low	32.6	Very low	218 Å²	218	133.9 Å²	133.9	83%	0.826	69%	0.687	S	S	*	*			trans	-166.9	24.5	146	-133.2	-74.3	0	0	0	117.7	K411	K411-W413 PolarHBondContact O-N 3.41Å
414	E	28.4	Very low	31.7	Very low	188 Å²	188	137.7 Å²	137.7	88%	0.879	71%	0.713	S	S	*	*	S	Bend	trans	-125.1	-10.2	179.5	-74.8	-173.2	168.9	0	0	117.1
415	S	26.4	Very low	30.6	Very low	116 Å²	116	142.3 Å²	142.3	81%	0.811	73%	0.732	S	S	*	*	S	Bend	trans	-94.4	-13	177.5	-136.8	0	0	0	0	114.8	N417	S415-N417 VanDerWaalsContact C-N 3.34Å; S415-N417 PolarHBondContact O-N 3.46Å
416	F	27.9	Very low	29.6	Very low	173 Å²	173	147.1 Å²	147.1	76%	0.759	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-8.6	-177.2	-93.7	-80.7	0	0	0	115	L412	L412-F416 HydrophobicContact CD2-CE2 4.28Å
417	N	28.7	Very low	28.9	Very low	135 Å²	135	148.8 Å²	148.8	72%	0.722	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.2	8.7	-171.5	-76.7	-25.1	0	0	0	115.7	S415	S415-N417 VanDerWaalsContact C-N 3.34Å; S415-N417 PolarHBondContact O-N 3.46Å
418	S	27	Very low	28.7	Very low	113 Å²	113	144.1 Å²	144.1	79%	0.79	76%	0.757	S	S	*	*	S	Bend	trans	-122.7	24	179.4	-161.9	0	0	0	0	115.6
419	A	27.5	Very low	28.6	Very low	83 Å²	83	149.3 Å²	149.3	69%	0.686	78%	0.776	S	S	*	*			trans	-138.3	46.5	170.6	0	0	0	0	0	112.1	S421	A419-S421 VanDerWaalsContact C-N 3.3Å; A419-S421 PolarHBondContact O-N 2.81Å
420	H	32.6	Very low	29.1	Very low	197 Å²	197	147 Å²	147	91%	0.912	77%	0.77	S	S	*	*			trans	-89.4	73.5	153.2	-91.9	-27.6	0	0	0	109
421	S	27.6	Very low	29.8	Very low	97 Å²	97	140.1 Å²	140.1	68%	0.678	74%	0.74	S	S	*	*	S	Bend	trans	-175.4	126.3	160	43	0	0	0	0	109.1	A419	A419-S421 VanDerWaalsContact C-N 3.3Å; A419-S421 PolarHBondContact O-N 2.81Å
422	D	22.8	Very low	30.7	Very low	162 Å²	162	135.9 Å²	135.9	87%	0.866	72%	0.724	S	S	*	*			trans	76.9	97.1	171.7	-60.2	-24.6	0	0	0	118.5	S424	D422-S424 PolarHBondContact O-N 2.97Å
423	C	25	Very low	31.9	Very low	138 Å²	138	130.7 Å²	130.7	93%	0.932	70%	0.696	S	S	*	*			trans	-76.4	103.7	170.1	-163.2	0	0	0	0	110.1
424	S	26.6	Very low	32.5	Very low	100 Å²	100	121.6 Å²	121.6	70%	0.699	67%	0.666	S	S	*	*			trans	-167.4	70.8	157.4	-171.2	0	0	0	0	110.5	D422 L426	D422-S424 PolarHBondContact O-N 2.97Å; S424-L426 PolarHBondContact O-N 3.34Å
425	F	23.1	Very low	33.1	Very low	143 Å²	143	115.2 Å²	115.2	63%	0.627	63%	0.634	S	S	*	*			trans	-82.1	113.2	162.9	-78.6	-79.6	0	0	0	108.3	F427	F425-F427 VanDerWaalsContact C-N 3.34Å; F425-F427 VanDerWaalsContact O-CD2 3.27Å; F425-F427 WeakPolarHBondContact O-CD2 3.29Å; F425-F427 PolarHBondContact O-N 3.23Å
426	L	24.3	Very low	34.1	Very low	152 Å²	152	110.4 Å²	110.4	80%	0.796	60%	0.6	S	S	*	*			trans	-63.4	92.4	171.6	-78.6	160.7	0	0	0	109.2	S424 T428	S424-L426 PolarHBondContact O-N 3.34Å; L426-T428 PolarHBondContact O-N 3.41Å
427	F	27.6	Very low	34.9	Very low	176 Å²	176	103.1 Å²	103.1	77%	0.772	57%	0.57	S	S	*	*			trans	-57.8	119.5	169.1	-67.1	-83.4	0	0	0	109.1	F425 E429	F425-F427 VanDerWaalsContact C-N 3.34Å; F425-F427 VanDerWaalsContact O-CD2 3.27Å; F425-F427 WeakPolarHBondContact O-CD2 3.29Å; F425-F427 PolarHBondContact O-N 3.23Å; F427-E429 PolarHBondContact O-N 3.37Å; F427-E429 VanDerWaalsContact O-N 3.12Å
428	T	35	Very low	35.9	Very low	88 Å²	88	98.5 Å²	98.5	54%	0.54	55%	0.545	S	S	.	.			trans	-62.9	117.3	168.1	50.4	0	0	0	0	108.1	L426 N430	L426-T428 PolarHBondContact O-N 3.41Å; T428-N430 PolarHBondContact O-N 3.06Å
429	E	37.2	Very low	37.1	Very low	157 Å²	157	94.7 Å²	94.7	73%	0.734	52%	0.515	S	S	*	.			trans	-24.2	111	-179.7	-67.6	-178.4	148.3	0	0	114	F427 V431	F427-E429 PolarHBondContact O-N 3.37Å; F427-E429 VanDerWaalsContact O-N 3.12Å; E429-V431 PolarHBondContact O-N 3.26Å
430	N	46.3	Very low	38.2	Very low	147 Å²	147	91 Å²	91	79%	0.786	48%	0.484	S	S	*	.			trans	-26.7	103	-178	-59.1	-20.9	0	0	0	115.5	T428	T428-N430 PolarHBondContact O-N 3.06Å
431	V	46.8	Very low	39.1	Very low	35 Å²	35	83.5 Å²	83.5	21%	0.212	45%	0.452	C	S	.	.			trans	-118.4	106.8	158.3	-176.7	0	0	0	0	107	E429 F433 L469 R493	E429-V431 PolarHBondContact O-N 3.26Å; V431-F433 HydrophobicContact CB-CE2 4.25Å; V431-F433 HydrophobicContact CB-CZ 4.24Å; V431-F433 HydrophobicContact CG1-CD1 4.4Å; V431-F433 HydrophobicContact CG1-CD2 4.45Å; V431-F433 HydrophobicContact CG1-CE1 3.8Å; V431-F433 HydrophobicContact CG1-CE2 3.84Å; V431-F433 HydrophobicContact CG1-CZ 3.48Å; V431-F433 VanDerWaalsContact CG1-CZ 3.48Å; V431-L469 HydrophobicContact CG1-CD1 3.53Å; V431-L469 HydrophobicContact CG1-CD2 4.02Å; V431-L469 HydrophobicContact CG1-CG 4.44Å; V431-R493 HydrophobicContact CG2-CB 4.32Å
432	Q	48.7	Very low	40.3	Very low	122 Å²	122	81 Å²	81	57%	0.57	44%	0.435	S	S	*	.			trans	-96.2	114	-179.5	-170.5	171.9	1.1	0	0	108.7	L469	Q432-L469 WeakPolarHBondContact O-CD1 3.32Å
433	F	52.5	Low	41.5	Very low	5 Å²	5	80 Å²	80	2%	0.022	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	136.3	-178.9	-60.1	-84.6	0	0	0	110.5	V346 I348 V431 V436 F467 L469 L494 T497	V346-F433 HydrophobicContact CB-CB 4.37Å; I348-F433 HydrophobicContact CD1-CD2 4.35Å; I348-F433 HydrophobicContact CD1-CE2 3.82Å; V431-F433 HydrophobicContact CB-CE2 4.25Å; V431-F433 HydrophobicContact CB-CZ 4.24Å; V431-F433 HydrophobicContact CG1-CD1 4.4Å; V431-F433 HydrophobicContact CG1-CD2 4.45Å; V431-F433 HydrophobicContact CG1-CE1 3.8Å; V431-F433 HydrophobicContact CG1-CE2 3.84Å; V431-F433 HydrophobicContact CG1-CZ 3.48Å; V431-F433 VanDerWaalsContact CG1-CZ 3.48Å; F433-V436 HydrophobicContact CB-CG2 4.05Å; F433-V436 HydrophobicContact CG-CG2 4.42Å; F433-F467 HydrophobicContact CD1-CB 4.24Å; F433-F467 HydrophobicContact CD1-CD1 4.22Å; F433-F467 HydrophobicContact CE1-CB 4.24Å; F433-F467 HydrophobicContact CE1-CD1 4.1Å; F433-F467 HydrophobicContact CE1-CG 4.47Å; F433-L469 HydrophobicContact CD1-CD1 4.27Å; F433-L494 HydrophobicContact CE1-CD1 3.61Å; F433-L494 HydrophobicContact CZ-CD1 4.26Å; F433-T497 HydrophobicContact CZ-CG2 4.4Å
434	S	40.1	Very low	42.2	Very low	27 Å²	27	76.4 Å²	76.4	19%	0.189	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	-30	176.8	30.4	0	0	0	0	111.7	E468 D470	S434-E468 PolarHBondContact N-O 3.04Å; S434-E468 PolarHBondContact OG-O 2.77Å; S434-D470 VanDerWaalsContact CB-OD2 3.28Å; S434-D470 WeakPolarHBondContact CB-OD2 3.05Å; S434-D470 PolarHBondContact OG-OD1 3.15Å; S434-D470 PolarHBondContact OG-OD2 3.32Å
435	Y	41.1	Very low	42.6	Very low	53 Å²	53	79.9 Å²	79.9	21%	0.208	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	138.2	-179.9	176.8	-87.8	0	0	0	111.8	N341 C342 Q343 E468	N341-Y435 WeakPolarHBondContact OD1-CD2 3.42Å; N341-Y435 WeakPolarHBondContact OD1-CE2 2.99Å; C342-Y435 WeakPolarHBondContact O-CA 3.08Å; Q343-Y435 HydrophobicContact CG-CD2 4.38Å; Y435-E468 HydrophobicContact CD1-CG 3.85Å; Y435-E468 HydrophobicContact CG-CG 4.34Å; Y435-E468 PolarHBondContact O-N 3.42Å
436	V	48	Very low	43	Very low	15 Å²	15	84.3 Å²	84.3	9%	0.091	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	128.2	170.7	-177.6	0	0	0	0	109.5	L340 V346 F433 L438 E466 F467	L340-V436 VanDerWaalsContact O-O 3.1Å; V346-V436 HydrophobicContact CG1-CG2 4.41Å; V346-V436 HydrophobicContact CG2-CG2 4.39Å; F433-V436 HydrophobicContact CB-CG2 4.05Å; F433-V436 HydrophobicContact CG-CG2 4.42Å; V436-L438 HydrophobicContact CG1-CD2 4.39Å; V436-L438 HydrophobicContact CG1-CG 4.42Å; V436-E466 CarbonylContact C-O 3.25Å; V436-E466 VanDerWaalsContact CA-O 3.29Å; V436-E466 WeakPolarHBondContact CA-O 2.88Å; V436-F467 HydrophobicContact CG1-CD1 4.07Å; V436-F467 HydrophobicContact CG1-CE1 3.98Å; V436-F467 HydrophobicContact CG2-CD1 3.82Å; V436-F467 HydrophobicContact CG2-CE1 4.29Å
437	S	43.8	Very low	43.2	Very low	20 Å²	20	84 Å²	84	14%	0.14	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	118.7	172.8	179	0	0	0	0	110.7	L340 A465 E466	L340-S437 WeakPolarHBondContact O-CA 3.06Å; S437-A465 CarbonylContact O-C 3.43Å; S437-A465 VanDerWaalsContact O-CA 3.29Å; S437-A465 WeakPolarHBondContact O-CA 3.41Å; S437-E466 PolarHBondContact N-O 3.17Å; S437-E466 PolarHBondContact O-N 3.21Å
438	L	50.4	Low	43.4	Very low	39 Å²	39	83.9 Å²	83.9	20%	0.204	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	138.5	176.5	-64	174.8	0	0	0	110.2	F339 L340 V436 I463 T464 A465 L512	F339-L438 WeakPolarHBondContact CA-O 3.4Å; L340-L438 HydrophobicContact CB-CB 4.36Å; L340-L438 HydrophobicContact CD2-CD1 3.97Å; V436-L438 HydrophobicContact CG1-CD2 4.39Å; V436-L438 HydrophobicContact CG1-CG 4.42Å; L438-I463 HydrophobicContact CD2-CG2 4.41Å; L438-T464 CarbonylContact C-O 3.56Å; L438-A465 HydrophobicContact CD2-CB 3.43Å; L438-A465 VanDerWaalsContact CD2-CB 3.43Å; L438-L512 HydrophobicContact CD1-CD1 4.42Å
439	H	51.3	Low	43.2	Very low	32 Å²	32	85.5 Å²	85.5	15%	0.148	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	121.7	-175.8	-176.1	-104.1	0	0	0	111	R337 F339 T441 I463 T464	R337-H439 VanDerWaalsContact CZ-NE2 3.32Å; R337-H439 PolarHBondContact NE-NE2 2.99Å; R337-H439 PolarHBondContact NH2-CE1 3.45Å; R337-H439 PolarHBondContact NH2-NE2 3.18Å; F339-H439 AromaticContact CD1-CD2 3.99Å; F339-H439 AromaticContact CE1-CD2 3.31Å; F339-H439 WeakPolarHBondContact CE1-CD2 3.28Å; F339-H439 AromaticContact CE1-NE2 3.89Å; F339-H439 AromaticContact CZ-CD2 3.64Å; F339-H439 AromaticContact CZ-NE2 3.84Å; H439-T441 WeakPolarHBondContact CE1-CG2 3.37Å; H439-I463 CarbonylContact O-C 3.46Å; H439-I463 VanDerWaalsContact O-CA 3.29Å; H439-I463 WeakPolarHBondContact O-CA 3.39Å; H439-T464 WeakPolarHBondContact CB-O 3.28Å; H439-T464 PolarHBondContact N-O 3.01Å; H439-T464 PolarHBondContact O-N 2.93Å
440	C	51.6	Low	43.2	Very low	7 Å²	7	89.2 Å²	89.2	5%	0.047	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	125.2	179.4	-140	0	0	0	0	110.5	R337 C403 F461	R337-C440 WeakPolarHBondContact CG-O 3.09Å; C403-C440 HydrophobicContact CB-CB 4.1Å; C403-C440 WeakPolarHBondContact CB-SG 3.17Å; C403-C440 WeakPolarHBondContact SG-CB 3.42Å; C403-C440 CovalentContact SG-SG 2.05Å; C403-C440 PolarHBondContact SG-SG 3.06Å; C440-F461 WeakPolarHBondContact SG-CE2 3.48Å
441	T	52.1	Low	42.6	Very low	38 Å²	38	91 Å²	91	23%	0.233	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	131.8	174.9	36.1	0	0	0	0	113.3	H439 A462	H439-T441 WeakPolarHBondContact CE1-CG2 3.37Å; T441-A462 PolarHBondContact N-O 2.02Å; T441-A462 PolarHBondContact O-N 3.25Å; T441-A462 PolarHBondContact OG1-O 2.82Å
442	S	51.6	Low	41.8	Very low	46 Å²	46	94.3 Å²	94.3	32%	0.322	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	127.8	164.1	60.9	0	0	0	0	110	G334 G335 G444	G334-S442 VanDerWaalsContact O-CB 3.25Å; G334-S442 WeakPolarHBondContact O-CB 2.93Å; G334-S442 PolarHBondContact O-OG 3.39Å; G335-S442 PolarHBondContact N-OG 2.87Å; S442-G444 PolarHBondContact O-N 2.99Å
443	L	48.4	Very low	41	Very low	141 Å²	141	100 Å²	100	74%	0.738	50%	0.498	S	S	*	.			trans	-80.2	101	175.4	-146.9	79.2	0	0	0	109.3
444	G	39.5	Very low	40.1	Very low	61 Å²	61	110.3 Å²	110.3	63%	0.629	54%	0.543	S	S	*	.			trans	-80.8	142.8	172.4	0	0	0	0	0	112.1	S442	S442-G444 PolarHBondContact O-N 2.99Å
445	Q	36.3	Very low	39.5	Very low	174 Å²	174	112.3 Å²	112.3	81%	0.813	56%	0.561	S	S	*	*			trans	-42.8	130.5	-172.5	-72.8	174.7	-18.4	0	0	115.7
446	R	31.1	Very low	39.1	Very low	235 Å²	235	116.9 Å²	116.9	89%	0.887	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-89.4	124.9	155.7	-79	-175.6	172.1	-178.1	-3.1	108.9	R448	R446-R448 PolarHBondContact O-N 3.3Å
447	T	28.7	Very low	38.6	Very low	146 Å²	146	122.6 Å²	122.6	90%	0.896	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-68.4	117.8	169.6	41.4	0	0	0	0	110.1
448	R	31.5	Very low	38.2	Very low	173 Å²	173	127.7 Å²	127.7	65%	0.653	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-82.3	133.1	168	-89	176.1	149.7	161.5	-9.7	110.1	R446 E457	R446-R448 PolarHBondContact O-N 3.3Å; R448-E457 IonicContact CZ-OE1 3Å; R448-E457 IonicContact NE-OE1 3.08Å; R448-E457 IonicContact NH1-OE1 2.94Å; R448-E457 PolarHBondContact NH1-OE1 3.38Å
449	S	29.8	Very low	37.8	Very low	123 Å²	123	131 Å²	131	86%	0.86	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-94.3	141.8	151.2	-174.2	0	0	0	0	109.7
450	R	37.6	Very low	37.6	Very low	234 Å²	234	130.8 Å²	130.8	88%	0.883	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-76	123	-165.7	-90.9	172.9	160.9	172.1	-4.7	112.8
451	H	34.4	Very low	37.6	Very low	185 Å²	185	131.9 Å²	131.9	86%	0.856	67%	0.674	S	S	*	*				-155.7	124.2	113.9	-99.6	-51.9	0	0	0	111.9
452	S	28.4	Very low	37.7	Very low	105 Å²	105	130.9 Å²	130.9	73%	0.734	67%	0.67	S	S	*	*	S	Bend	trans	86.5	112.1	158.2	-65.2	0	0	0	0	121.8
453	R	33.3	Very low	37.8	Very low	241 Å²	241	129.6 Å²	129.6	91%	0.909	66%	0.659	S	S	*	*			trans	72.7	122.8	147.6	-68.4	-177.5	176.7	171.1	-0.3	120.5
454	K	33.6	Very low	38	Very low	222 Å²	222	124.7 Å²	124.7	97%	0.965	64%	0.635	S	S	*	*			trans	-44.7	123.4	-177	-76.8	174.2	169.7	178.6	0	114.2
455	A	26.3	Very low	38.7	Very low	68 Å²	68	121.8 Å²	121.8	56%	0.562	61%	0.605	S	S	*	*			trans	-128.6	131	147.7	0	0	0	0	0	106.8	E457	A455-E457 PolarHBondContact O-N 3.17Å
456	V	34.5	Very low	39.5	Very low	149 Å²	149	116.5 Å²	116.5	90%	0.903	58%	0.58	S	S	*	*			trans	-60.7	116	174.1	175.2	0	0	0	0	107.4
457	E	35.9	Very low	40.7	Very low	135 Å²	135	105.8 Å²	105.8	63%	0.631	54%	0.54	S	S	*	.			trans	-84.5	120.2	175.3	-85.2	169.4	-176.4	0	0	108.6	R448 A455	R448-E457 IonicContact CZ-OE1 3Å; R448-E457 IonicContact NE-OE1 3.08Å; R448-E457 IonicContact NH1-OE1 2.94Å; R448-E457 PolarHBondContact NH1-OE1 3.38Å; A455-E457 PolarHBondContact O-N 3.17Å
458	D	35.9	Very low	41.8	Very low	128 Å²	128	99.5 Å²	99.5	68%	0.684	50%	0.501	S	S	*	.			trans	-100.5	112.9	-178.4	-166.8	25.1	0	0	0	108.6	G460	D458-G460 PolarHBondContact O-N 3.16Å
459	D	41.8	Very low	42.9	Very low	107 Å²	107	91.9 Å²	91.9	57%	0.572	47%	0.473	S	S	*	.			trans	-73.7	88.8	179	-90.9	-17.3	0	0	0	110.1	T400	T400-D459 WeakPolarHBondContact CA-O 3.49Å; T400-D459 WeakPolarHBondContact CG2-O 3.45Å
460	G	47.4	Very low	43.9	Very low	28 Å²	28	89.3 Å²	89.3	29%	0.289	45%	0.45	S	S	.	.			trans	-104.7	155.9	-179.9	0	0	0	0	0	114.2	D458	D458-G460 PolarHBondContact O-N 3.16Å
461	F	51.8	Low	44.8	Very low	30 Å²	30	79 Å²	79	13%	0.132	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	153.1	169.4	113.4	-90.3	0	0	0	110.3	S398 A401 C403 C440 I463	S398-F461 PolarHBondContact N-O 2.95Å; S398-F461 VanDerWaalsContact N-O 3.09Å; S398-F461 PolarHBondContact O-N 3.13Å; S398-F461 VanDerWaalsContact O-O 3.12Å; A401-F461 WeakPolarHBondContact O-CB 3.18Å; C403-F461 HydrophobicContact CB-CD2 4.34Å; C403-F461 HydrophobicContact CB-CE2 4.29Å; C440-F461 WeakPolarHBondContact SG-CE2 3.48Å; F461-I463 HydrophobicContact CD2-CG1 4.45Å; F461-I463 HydrophobicContact CE2-CB 4.34Å; F461-I463 HydrophobicContact CE2-CD1 4.02Å; F461-I463 HydrophobicContact CE2-CG1 3.21Å; F461-I463 HydrophobicContact CZ-CD1 3.65Å; F461-I463 HydrophobicContact CZ-CG1 3.31Å
462	A	53.4	Low	45.6	Very low	18 Å²	18	74.6 Å²	74.6	15%	0.149	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	128.3	176.7	0	0	0	0	0	111.9	T395 F396 K397 T441	T395-A462 HydrophobicContact CG2-CB 4.07Å; F396-A462 CarbonylContact O-C 3.56Å; F396-A462 VanDerWaalsContact O-CA 3.28Å; F396-A462 WeakPolarHBondContact O-CA 3.47Å; K397-A462 HydrophobicContact CG-CB 4.42Å; T441-A462 PolarHBondContact N-O 2.02Å; T441-A462 PolarHBondContact O-N 3.25Å; T441-A462 PolarHBondContact OG1-O 2.82Å
463	I	53.7	Low	46.6	Very low	19 Å²	19	73.8 Å²	73.8	10%	0.097	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	122.1	161.7	-56.2	178.5	0	0	0	107.5	F396 L438 H439 F461	F396-I463 HydrophobicContact CD2-CB 4.49Å; F396-I463 WeakPolarHBondContact CD2-O 3.02Å; F396-I463 PolarHBondContact N-O 3.07Å; F396-I463 PolarHBondContact O-N 2.73Å; L438-I463 HydrophobicContact CD2-CG2 4.41Å; H439-I463 CarbonylContact O-C 3.46Å; H439-I463 VanDerWaalsContact O-CA 3.29Å; H439-I463 WeakPolarHBondContact O-CA 3.39Å; F461-I463 HydrophobicContact CD2-CG1 4.45Å; F461-I463 HydrophobicContact CE2-CB 4.34Å; F461-I463 HydrophobicContact CE2-CD1 4.02Å; F461-I463 HydrophobicContact CE2-CG1 3.21Å; F461-I463 HydrophobicContact CZ-CD1 3.65Å; F461-I463 HydrophobicContact CZ-CG1 3.31Å
464	T	53.4	Low	47.5	Very low	37 Å²	37	70.7 Å²	70.7	23%	0.227	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	122.6	168	-21.4	0	0	0	0	108.4	T395 L438 H439	T395-T464 HydrophobicContact CG2-CG2 3.94Å; L438-T464 CarbonylContact C-O 3.56Å; H439-T464 WeakPolarHBondContact CB-O 3.28Å; H439-T464 PolarHBondContact N-O 3.01Å; H439-T464 PolarHBondContact O-N 2.93Å
465	A	53.9	Low	48.4	Very low	1 Å²	1	63.9 Å²	63.9	1%	0.008	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	126.1	171.4	0	0	0	0	0	109.5	A394 F396 S437 L438 F467	A394-A465 PolarHBondContact N-O 3.02Å; A394-A465 PolarHBondContact O-N 3.26Å; F396-A465 HydrophobicContact CE2-CB 3.75Å; S437-A465 CarbonylContact O-C 3.43Å; S437-A465 VanDerWaalsContact O-CA 3.29Å; S437-A465 WeakPolarHBondContact O-CA 3.41Å; L438-A465 HydrophobicContact CD2-CB 3.43Å; L438-A465 VanDerWaalsContact CD2-CB 3.43Å; A465-F467 HydrophobicContact CB-CD2 4.27Å; A465-F467 HydrophobicContact CB-CE1 4.45Å; A465-F467 HydrophobicContact CB-CE2 3.45Å; A465-F467 VanDerWaalsContact CB-CE2 3.45Å; A465-F467 HydrophobicContact CB-CZ 3.55Å
466	E	52.2	Low	49.7	Very low	62 Å²	62	63.6 Å²	63.6	29%	0.29	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.5	168.8	-173.6	169.4	-154.6	0	0	108.9	T393 V436 S437	T393-E466 HydrophobicContact CG2-CB 4.01Å; T393-E466 HydrophobicContact CG2-CG 3.76Å; V436-E466 CarbonylContact C-O 3.25Å; V436-E466 VanDerWaalsContact CA-O 3.29Å; V436-E466 WeakPolarHBondContact CA-O 2.88Å; S437-E466 PolarHBondContact N-O 3.17Å; S437-E466 PolarHBondContact O-N 3.21Å
467	F	56.6	Low	50.7	Low	11 Å²	11	60.2 Å²	60.2	5%	0.048	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	127.6	178.1	-57.1	-88.4	0	0	0	108.7	T392 A394 F396 F433 V436 A465 L494 I498 L501	T392-F467 HydrophobicContact CG2-CB 4.24Å; T392-F467 HydrophobicContact CG2-CD2 4.48Å; T392-F467 PolarHBondContact N-O 2.9Å; T392-F467 PolarHBondContact O-N 2.64Å; A394-F467 HydrophobicContact CB-CD2 4.47Å; A394-F467 HydrophobicContact CB-CE2 4.03Å; F396-F467 HydrophobicContact CZ-CE2 4.47Å; F433-F467 HydrophobicContact CD1-CB 4.24Å; F433-F467 HydrophobicContact CD1-CD1 4.22Å; F433-F467 HydrophobicContact CE1-CB 4.24Å; F433-F467 HydrophobicContact CE1-CD1 4.1Å; F433-F467 HydrophobicContact CE1-CG 4.47Å; V436-F467 HydrophobicContact CG1-CD1 4.07Å; V436-F467 HydrophobicContact CG1-CE1 3.98Å; V436-F467 HydrophobicContact CG2-CD1 3.82Å; V436-F467 HydrophobicContact CG2-CE1 4.29Å; A465-F467 HydrophobicContact CB-CD2 4.27Å; A465-F467 HydrophobicContact CB-CE1 4.45Å; A465-F467 HydrophobicContact CB-CE2 3.45Å; A465-F467 VanDerWaalsContact CB-CE2 3.45Å; A465-F467 HydrophobicContact CB-CZ 3.55Å; F467-L494 HydrophobicContact CB-CD1 4.39Å; F467-I498 HydrophobicContact CD2-CD1 4.34Å; F467-I498 HydrophobicContact CD2-CG1 4.33Å; F467-I498 HydrophobicContact CE2-CG1 4.16Å; F467-L501 HydrophobicContact CE1-CD1 4.36Å; F467-L501 HydrophobicContact CZ-CD1 4.03Å
468	E	52.2	Low	51.3	Low	13 Å²	13	59.1 Å²	59.1	6%	0.061	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	131.7	163.7	-51.9	-170.8	165.4	0	0	109.8	I390 K391 S434 Y435	I390-E468 WeakPolarHBondContact O-CA 3.06Å; K391-E468 HydrophobicContact CD-CG 4.33Å; K391-E468 WeakPolarHBondContact CD-OE1 3.48Å; K391-E468 WeakPolarHBondContact CE-OE1 3.18Å; K391-E468 HydrophobicContact CG-CG 3.99Å; K391-E468 IonicContact NZ-OE1 3.68Å; K391-E468 PolarHBondContact NZ-OE1 2.89Å; S434-E468 PolarHBondContact N-O 3.04Å; S434-E468 PolarHBondContact OG-O 2.77Å; Y435-E468 HydrophobicContact CD1-CG 3.85Å; Y435-E468 HydrophobicContact CG-CG 4.34Å; Y435-E468 PolarHBondContact O-N 3.42Å
469	L	54.1	Low	52.2	Low	13 Å²	13	62.3 Å²	62.3	7%	0.068	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	125.8	178.1	-176.1	67.9	0	0	0	109.2	I390 V431 Q432 F433	I390-L469 PolarHBondContact N-O 3.17Å; I390-L469 VanDerWaalsContact N-O 3.08Å; I390-L469 PolarHBondContact O-N 3.34Å; V431-L469 HydrophobicContact CG1-CD1 3.53Å; V431-L469 HydrophobicContact CG1-CD2 4.02Å; V431-L469 HydrophobicContact CG1-CG 4.44Å; Q432-L469 WeakPolarHBondContact O-CD1 3.32Å; F433-L469 HydrophobicContact CD1-CD1 4.27Å
470	D	52.4	Low	52.9	Low	70 Å²	70	61.9 Å²	61.9	37%	0.374	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	131.6	172.8	-65.5	-14.9	0	0	0	109.5	V387 R389 S434 N472	V387-D470 HydrophobicContact CG1-CB 4.34Å; R389-D470 WeakPolarHBondContact CG-OD1 3.33Å; S434-D470 VanDerWaalsContact CB-OD2 3.28Å; S434-D470 WeakPolarHBondContact CB-OD2 3.05Å; S434-D470 PolarHBondContact OG-OD1 3.15Å; S434-D470 PolarHBondContact OG-OD2 3.32Å; D470-N472 PolarHBondContact O-N 2.84Å
471	V	54.9	Low	53.4	Low	16 Å²	16	61.4 Å²	61.4	10%	0.097	34%	0.343	C	S	.	.			trans	-80.7	115.9	177.4	-174.6	0	0	0	0	108.2	I390 L473 V486	I390-V471 HydrophobicContact CD1-CG2 3.43Å; I390-V471 VanDerWaalsContact CD1-CG2 3.43Å; I390-V471 HydrophobicContact CG1-CG2 3.63Å; V471-L473 PolarHBondContact O-N 2.96Å; V471-L473 VanDerWaalsContact O-N 3.12Å; V471-V486 HydrophobicContact CG1-CG1 3.84Å
472	N	51.8	Low	54.1	Low	93 Å²	93	64.2 Å²	64.2	50%	0.497	36%	0.359	S	S	.	.			trans	-70	108.9	176.8	-169.6	-6	0	0	0	110	D470 E474	D470-N472 PolarHBondContact O-N 2.84Å; N472-E474 PolarHBondContact O-N 2.98Å; N472-E474 WeakPolarHBondContact OD1-CB 3.08Å; N472-E474 PolarHBondContact OD1-N 3.05Å; N472-E474 VanDerWaalsContact OD1-N 3.1Å
473	L	50.2	Low	54.4	Low	89 Å²	89	67.9 Å²	67.9	47%	0.466	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-69.9	-11.9	-179.7	-89	106.6	0	0	0	113.6	V471 E475 V476 L483	V471-L473 PolarHBondContact O-N 2.96Å; V471-L473 VanDerWaalsContact O-N 3.12Å; L473-E475 VanDerWaalsContact C-N 3.27Å; L473-E475 PolarHBondContact O-N 2.95Å; L473-V476 PolarHBondContact O-N 3Å; L473-L483 HydrophobicContact CD2-CD2 4.1Å; L473-L483 HydrophobicContact CG-CD2 4.39Å
474	E	51.5	Low	54.6	Low	175 Å²	175	71.6 Å²	71.6	82%	0.818	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-74.8	-12	178.5	-62.1	-170.9	160.2	0	0	113.7	N472 V476	N472-E474 PolarHBondContact O-N 2.98Å; N472-E474 WeakPolarHBondContact OD1-CB 3.08Å; N472-E474 PolarHBondContact OD1-N 3.05Å; N472-E474 VanDerWaalsContact OD1-N 3.1Å; E474-V476 VanDerWaalsContact C-N 3.31Å; E474-V476 PolarHBondContact O-N 2.89Å
475	E	52.8	Low	55.3	Low	80 Å²	80	72.1 Å²	72.1	37%	0.374	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-81.6	-1.3	174.8	-76.8	-170.3	168.3	0	0	113.7	L473 T477 V486 R493	L473-E475 VanDerWaalsContact C-N 3.27Å; L473-E475 PolarHBondContact O-N 2.95Å; E475-T477 PolarHBondContact O-N 2.85Å; E475-T477 VanDerWaalsContact O-N 3.09Å; E475-V486 HydrophobicContact CB-CG1 4.34Å; E475-R493 IonicContact OE1-NH1 3.37Å; E475-R493 PolarHBondContact OE1-NH1 2.02Å; E475-R493 IonicContact OE1-NH2 2.77Å; E475-R493 IonicContact OE2-NH1 3.77Å
476	V	53.9	Low	55.7	Low	61 Å²	61	72.2 Å²	72.2	37%	0.37	40%	0.401	S	S	.	.			trans	-80.6	88.8	179	-175.5	0	0	0	0	110.2	L473 E474 L483 V486	L473-V476 PolarHBondContact O-N 3Å; E474-V476 VanDerWaalsContact C-N 3.31Å; E474-V476 PolarHBondContact O-N 2.89Å; V476-L483 HydrophobicContact CG2-CD2 3.74Å; V476-L483 HydrophobicContact CG2-CG 4.38Å; V476-V486 HydrophobicContact CG2-CG2 4.1Å
477	T	55	Low	56.2	Low	78 Å²	78	75.1 Å²	75.1	48%	0.479	41%	0.41	S	S	.	.			trans	-89.3	134.9	170.3	59.6	0	0	0	0	111	E475 E479 S480	E475-T477 PolarHBondContact O-N 2.85Å; E475-T477 VanDerWaalsContact O-N 3.09Å; T477-E479 PolarHBondContact O-N 3.03Å; T477-S480 PolarHBondContact O-N 2.79Å; T477-S480 PolarHBondContact OG1-OG 3.36Å
478	A	49.2	Very low	56.4	Low	112 Å²	112	83.7 Å²	83.7	93%	0.926	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-10.4	-172.8	0	0	0	0	0	116.2
479	E	53.4	Low	56.9	Low	195 Å²	195	89.9 Å²	89.9	91%	0.911	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.8	5.5	-175.5	-75.7	-174	158.6	0	0	116	T477	T477-E479 PolarHBondContact O-N 3.03Å
480	S	57.2	Low	57.2	Low	98 Å²	98	89.7 Å²	89.7	69%	0.685	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.1	-5.9	177.9	73.6	0	0	0	0	119.7	T477	T477-S480 PolarHBondContact O-N 2.79Å; T477-S480 PolarHBondContact OG1-OG 3.36Å
481	C	57.4	Low	57.6	Low	19 Å²	19	89.1 Å²	89.1	13%	0.128	46%	0.459	C	S	.	.			trans	-165.6	121.9	179	-164.6	0	0	0	0	111.8	C485 V486	C481-C485 HydrophobicContact CB-CB 4.01Å; C481-C485 WeakPolarHBondContact CB-SG 3.3Å; C481-C485 WeakPolarHBondContact SG-CB 3.42Å; C481-C485 CovalentContact SG-SG 2.03Å; C481-C485 PolarHBondContact SG-SG 3.35Å; C481-V486 HydrophobicContact CB-CG2 4.33Å; C481-V486 PolarHBondContact SG-N 2.71Å
482	D	66.3	Low	57.7	Low	88 Å²	88	96.1 Å²	96.1	47%	0.471	49%	0.489	S	S	.	.			trans	-78	174.1	173.5	80.8	-31.2	0	0	0	112.3	N484 C485 V486	D482-N484 PolarHBondContact O-N 3.33Å; D482-N484 PolarHBondContact OD1-N 2.91Å; D482-N484 WeakPolarHBondContact OD2-CB 3.39Å; D482-N484 PolarHBondContact OD2-ND2 2.87Å; D482-N484 VanDerWaalsContact OD2-ND2 3.11Å; D482-C485 WeakPolarHBondContact O-CA 3.23Å; D482-C485 WeakPolarHBondContact O-CB 3.47Å; D482-C485 PolarHBondContact O-N 2.91Å; D482-C485 WeakPolarHBondContact OD1-CB 3.4Å; D482-C485 PolarHBondContact OD1-N 2.92Å; D482-V486 PolarHBondContact O-N 3.34Å
483	L	60	Low	58.1	Low	96 Å²	96	95.4 Å²	95.4	50%	0.503	48%	0.479	S	S	.	.	H	α-helix	trans	-55.7	-33.6	178.2	-76.5	168.3	0	0	0	113	L473 V476 R487	L473-L483 HydrophobicContact CD2-CD2 4.1Å; L473-L483 HydrophobicContact CG-CD2 4.39Å; V476-L483 HydrophobicContact CG2-CD2 3.74Å; V476-L483 HydrophobicContact CG2-CG 4.38Å; L483-R487 VanDerWaalsContact O-CB 3.28Å; L483-R487 WeakPolarHBondContact O-CB 3.06Å; L483-R487 PolarHBondContact O-N 3.19Å
484	N	58.2	Low	58.6	Low	96 Å²	96	91.4 Å²	91.4	51%	0.513	46%	0.458	S	S	.	.	H	α-helix	trans	-73.2	-34.7	177.1	-63.4	-58.7	0	0	0	112.4	D482 R488	D482-N484 PolarHBondContact O-N 3.33Å; D482-N484 PolarHBondContact OD1-N 2.91Å; D482-N484 WeakPolarHBondContact OD2-CB 3.39Å; D482-N484 PolarHBondContact OD2-ND2 2.87Å; D482-N484 VanDerWaalsContact OD2-ND2 3.11Å; N484-R488 WeakPolarHBondContact O-CB 3.06Å; N484-R488 WeakPolarHBondContact O-CG 3.48Å; N484-R488 PolarHBondContact O-N 2.83Å
485	C	67.5	Low	59	Low	49 Å²	49	90.5 Å²	90.5	33%	0.331	45%	0.447	S	S	.	.	H	α-helix	trans	-66.8	-45.2	173.8	168.6	0	0	0	0	111.3	C481 D482 R487 R488 R489	C481-C485 HydrophobicContact CB-CB 4.01Å; C481-C485 WeakPolarHBondContact CB-SG 3.3Å; C481-C485 WeakPolarHBondContact SG-CB 3.42Å; C481-C485 CovalentContact SG-SG 2.03Å; C481-C485 PolarHBondContact SG-SG 3.35Å; D482-C485 WeakPolarHBondContact O-CA 3.23Å; D482-C485 WeakPolarHBondContact O-CB 3.47Å; D482-C485 PolarHBondContact O-N 2.91Å; D482-C485 WeakPolarHBondContact OD1-CB 3.4Å; D482-C485 PolarHBondContact OD1-N 2.92Å; C485-R487 VanDerWaalsContact C-N 3.34Å; C485-R487 PolarHBondContact O-N 3.43Å; C485-R488 PolarHBondContact O-N 2.76Å; C485-R489 WeakPolarHBondContact O-CB 3.47Å; C485-R489 PolarHBondContact O-N 2.82Å
486	V	63.5	Low	59.3	Low	3 Å²	3	93.3 Å²	93.3	2%	0.018	46%	0.458	C	S	.	.	H	α-helix	trans	-64	-39.9	175.7	178.6	0	0	0	0	110.9	V471 E475 V476 C481 D482 R489 S490	V471-V486 HydrophobicContact CG1-CG1 3.84Å; E475-V486 HydrophobicContact CB-CG1 4.34Å; V476-V486 HydrophobicContact CG2-CG2 4.1Å; C481-V486 HydrophobicContact CB-CG2 4.33Å; C481-V486 PolarHBondContact SG-N 2.71Å; D482-V486 PolarHBondContact O-N 3.34Å; V486-R489 PolarHBondContact O-N 2.71Å; V486-S490 WeakPolarHBondContact O-CB 3.34Å; V486-S490 PolarHBondContact O-N 3.03Å; V486-S490 PolarHBondContact O-OG 3.24Å
487	R	62.9	Low	59.5	Low	123 Å²	123	92 Å²	92	46%	0.464	45%	0.45	S	S	.	.	H	α-helix	trans	-58.9	-49.9	172.3	-175.7	-179.8	-179.2	160	5.6	112	I390 L483 C485 R489 S490 E491	I390-R487 HydrophobicContact CD1-CG 3.74Å; I390-R487 HydrophobicContact CG1-CG 4.34Å; L483-R487 VanDerWaalsContact O-CB 3.28Å; L483-R487 WeakPolarHBondContact O-CB 3.06Å; L483-R487 PolarHBondContact O-N 3.19Å; C485-R487 VanDerWaalsContact C-N 3.34Å; C485-R487 PolarHBondContact O-N 3.43Å; R487-R489 VanDerWaalsContact C-N 3.33Å; R487-R489 PolarHBondContact O-N 3.32Å; R487-S490 PolarHBondContact O-N 3.31Å; R487-E491 IonicContact NE-OE1 3.83Å; R487-E491 WeakPolarHBondContact O-CG 3.05Å; R487-E491 PolarHBondContact O-N 2.92Å
488	R	60.6	Low	59.8	Low	190 Å²	190	89.2 Å²	89.2	72%	0.717	43%	0.432	S	S	*	.	H	α-helix	trans	-63.6	-35.6	178	-77.1	178.9	179.1	-178.9	2.2	112.8	N484 C485 K492	N484-R488 WeakPolarHBondContact O-CB 3.06Å; N484-R488 WeakPolarHBondContact O-CG 3.48Å; N484-R488 PolarHBondContact O-N 2.83Å; C485-R488 PolarHBondContact O-N 2.76Å; R488-K492 WeakPolarHBondContact O-CB 3.34Å; R488-K492 PolarHBondContact O-N 2.65Å
489	R	61.5	Low	60.3	Low	143 Å²	143	91.8 Å²	91.8	54%	0.54	42%	0.418	S	S	.	.	H	α-helix	trans	-67.5	-42.2	176.8	-164.8	175	-172.6	155.8	-0.4	111.3	C485 V486 R487 K492 R493	C485-R489 WeakPolarHBondContact O-CB 3.47Å; C485-R489 PolarHBondContact O-N 2.82Å; V486-R489 PolarHBondContact O-N 2.71Å; R487-R489 VanDerWaalsContact C-N 3.33Å; R487-R489 PolarHBondContact O-N 3.32Å; R489-K492 PolarHBondContact O-N 2.77Å; R489-R493 PolarHBondContact O-N 2.04Å
490	S	60.3	Low	60.6	Low	10 Å²	10	85.3 Å²	85.3	7%	0.07	39%	0.392	C	S	.	.	H	α-helix	trans	-64.7	-42.8	175.4	-58	0	0	0	0	111.7	V486 R487 K492 R493 L494	V486-S490 WeakPolarHBondContact O-CB 3.34Å; V486-S490 PolarHBondContact O-N 3.03Å; V486-S490 PolarHBondContact O-OG 3.24Å; R487-S490 PolarHBondContact O-N 3.31Å; S490-K492 VanDerWaalsContact C-N 3.29Å; S490-K492 PolarHBondContact O-N 2.85Å; S490-R493 PolarHBondContact O-N 3Å; S490-L494 WeakPolarHBondContact O-CB 3.43Å; S490-L494 PolarHBondContact O-N 3.08Å
491	E	60.6	Low	60.6	Low	58 Å²	58	81.2 Å²	81.2	27%	0.271	36%	0.362	S	S	.	.	H	α-helix	trans	-61.1	-35.9	172.6	-74.6	176.9	-170.9	0	0	112.7	I390 R487 L494 R495	I390-E491 HydrophobicContact CD1-CG 4.17Å; I390-E491 HydrophobicContact CG2-CG 4.23Å; R487-E491 IonicContact NE-OE1 3.83Å; R487-E491 WeakPolarHBondContact O-CG 3.05Å; R487-E491 PolarHBondContact O-N 2.92Å; E491-L494 PolarHBondContact O-N 3Å; E491-R495 WeakPolarHBondContact O-CB 3.42Å; E491-R495 VanDerWaalsContact O-CG 3.31Å; E491-R495 WeakPolarHBondContact O-CG 3.49Å; E491-R495 PolarHBondContact O-N 3.1Å
492	K	58	Low	60.7	Low	163 Å²	163	85.6 Å²	85.6	71%	0.709	38%	0.376	S	S	*	.	H	α-helix	trans	-70.6	-39.5	178.4	-162.9	177.8	-177	-178.4	0	112	R488 R489 S490 K496	R488-K492 WeakPolarHBondContact O-CB 3.34Å; R488-K492 PolarHBondContact O-N 2.65Å; R489-K492 PolarHBondContact O-N 2.77Å; S490-K492 VanDerWaalsContact C-N 3.29Å; S490-K492 PolarHBondContact O-N 2.85Å; K492-K496 PolarHBondContact O-N 3.41Å
493	R	59.4	Low	60.2	Low	77 Å²	77	87.9 Å²	87.9	29%	0.291	38%	0.382	S	S	.	.	H	α-helix	trans	-61	-48.3	171.9	-73.1	177.4	174.5	157.1	-2.4	110.2	V431 E475 R489 S490 R495 K496 T497	V431-R493 HydrophobicContact CG2-CB 4.32Å; E475-R493 IonicContact OE1-NH1 3.37Å; E475-R493 PolarHBondContact OE1-NH1 2.02Å; E475-R493 IonicContact OE1-NH2 2.77Å; E475-R493 IonicContact OE2-NH1 3.77Å; R489-R493 PolarHBondContact O-N 2.04Å; S490-R493 PolarHBondContact O-N 3Å; R493-R495 PolarHBondContact O-N 2.86Å; R493-K496 WeakPolarHBondContact O-CB 3.32Å; R493-K496 PolarHBondContact O-N 3.02Å; R493-T497 PolarHBondContact O-N 3.36Å; R493-T497 VanDerWaalsContact O-N 3.14Å; R493-T497 PolarHBondContact O-OG1 2.77Å
494	L	60.6	Low	60	Low	5 Å²	5	83.5 Å²	83.5	3%	0.026	36%	0.359	C	S	.	.	H	α-helix	trans	-57.8	-46.4	177.8	-175.2	58.7	0	0	0	113.2	T392 F433 F467 S490 E491 K496 T497 I498	T392-L494 HydrophobicContact CG2-CD1 4.13Å; T392-L494 HydrophobicContact CG2-CD2 3.37Å; T392-L494 HydrophobicContact CG2-CG 3.77Å; F433-L494 HydrophobicContact CE1-CD1 3.61Å; F433-L494 HydrophobicContact CZ-CD1 4.26Å; F467-L494 HydrophobicContact CB-CD1 4.39Å; S490-L494 WeakPolarHBondContact O-CB 3.43Å; S490-L494 PolarHBondContact O-N 3.08Å; E491-L494 PolarHBondContact O-N 3Å; L494-K496 PolarHBondContact O-N 2.96Å; L494-T497 PolarHBondContact O-N 3.09Å; L494-I498 HydrophobicContact CD1-CD1 4.18Å; L494-I498 HydrophobicContact CG-CD1 4.03Å; L494-I498 WeakPolarHBondContact O-CG1 3.47Å; L494-I498 PolarHBondContact O-N 3.02Å
495	R	60.6	Low	59.9	Low	156 Å²	156	80.1 Å²	80.1	59%	0.589	34%	0.341	S	S	*	.	H	α-helix	trans	-64.5	-24.2	176.6	-74.4	179.4	-172.9	-153.3	4.8	113.7	E491 R493 R499	E491-R495 WeakPolarHBondContact O-CB 3.42Å; E491-R495 VanDerWaalsContact O-CG 3.31Å; E491-R495 WeakPolarHBondContact O-CG 3.49Å; E491-R495 PolarHBondContact O-N 3.1Å; R493-R495 PolarHBondContact O-N 2.86Å; R495-R499 WeakPolarHBondContact O-CG 3.44Å; R495-R499 PolarHBondContact O-N 3.38Å; R495-R499 PolarHBondContact O-NE 3.4Å; R495-R499 VanDerWaalsContact O-NE 3.13Å
496	K	59	Low	59.2	Low	139 Å²	139	82.1 Å²	82.1	60%	0.604	35%	0.349	S	S	*	.	H	α-helix	trans	-76.7	-46.1	175.7	-169.2	-178.1	175.7	-170.7	0	110	K492 R493 L494 I498 R499 T500	K492-K496 PolarHBondContact O-N 3.41Å; R493-K496 WeakPolarHBondContact O-CB 3.32Å; R493-K496 PolarHBondContact O-N 3.02Å; L494-K496 PolarHBondContact O-N 2.96Å; K496-I498 PolarHBondContact O-N 3.33Å; K496-R499 WeakPolarHBondContact O-CB 3.46Å; K496-R499 PolarHBondContact O-N 3.17Å; K496-R499 VanDerWaalsContact O-N 3.16Å; K496-T500 PolarHBondContact O-N 2.94Å; K496-T500 VanDerWaalsContact O-N 3.14Å; K496-T500 PolarHBondContact O-OG1 3.31Å
497	T	58.1	Low	58.6	Low	35 Å²	35	88.9 Å²	88.9	22%	0.215	37%	0.374	C	S	.	.	H	α-helix	trans	-63.3	-39.2	177.6	-47.1	0	0	0	0	112.6	F433 R493 L494 R499 T500 L501	F433-T497 HydrophobicContact CZ-CG2 4.4Å; R493-T497 PolarHBondContact O-N 3.36Å; R493-T497 VanDerWaalsContact O-N 3.14Å; R493-T497 PolarHBondContact O-OG1 2.77Å; L494-T497 PolarHBondContact O-N 3.09Å; T497-R499 VanDerWaalsContact C-N 3.32Å; T497-R499 PolarHBondContact O-N 3.11Å; T497-T500 WeakPolarHBondContact CA-OG1 3.41Å; T497-T500 PolarHBondContact O-N 3.5Å; T497-T500 PolarHBondContact O-OG1 2.03Å; T497-L501 HydrophobicContact CG2-CD1 4.31Å; T497-L501 WeakPolarHBondContact O-CG 3.42Å; T497-L501 PolarHBondContact O-N 2.84Å
498	I	61.7	Low	58	Low	19 Å²	19	91.3 Å²	91.3	10%	0.097	39%	0.39	C	S	.	.	H	α-helix	trans	-64.7	-36.8	174.8	-70.4	164.2	0	0	0	111.6	T392 A394 F396 F467 L494 K496 R502	T392-I498 HydrophobicContact CG2-CD1 3.62Å; A394-I498 HydrophobicContact CB-CB 4.49Å; A394-I498 HydrophobicContact CB-CD1 4.08Å; A394-I498 HydrophobicContact CB-CG1 4.15Å; A394-I498 HydrophobicContact CB-CG2 3.51Å; F396-I498 HydrophobicContact CE1-CG2 4.23Å; F396-I498 HydrophobicContact CZ-CG2 4.32Å; F467-I498 HydrophobicContact CD2-CD1 4.34Å; F467-I498 HydrophobicContact CD2-CG1 4.33Å; F467-I498 HydrophobicContact CE2-CG1 4.16Å; L494-I498 HydrophobicContact CD1-CD1 4.18Å; L494-I498 HydrophobicContact CG-CD1 4.03Å; L494-I498 WeakPolarHBondContact O-CG1 3.47Å; L494-I498 PolarHBondContact O-N 3.02Å; K496-I498 PolarHBondContact O-N 3.33Å; I498-R502 WeakPolarHBondContact O-CB 3.32Å; I498-R502 PolarHBondContact O-N 3.08Å
499	R	60.2	Low	57.5	Low	165 Å²	165	85.3 Å²	85.3	62%	0.623	37%	0.37	S	S	*	.	H	α-helix	trans	-68.5	-36.7	177.9	-84.8	-177.6	-106.1	166.6	-11.1	112.4	R495 K496 T497 K503	R495-R499 WeakPolarHBondContact O-CG 3.44Å; R495-R499 PolarHBondContact O-N 3.38Å; R495-R499 PolarHBondContact O-NE 3.4Å; R495-R499 VanDerWaalsContact O-NE 3.13Å; K496-R499 WeakPolarHBondContact O-CB 3.46Å; K496-R499 PolarHBondContact O-N 3.17Å; K496-R499 VanDerWaalsContact O-N 3.16Å; T497-R499 VanDerWaalsContact C-N 3.32Å; T497-R499 PolarHBondContact O-N 3.11Å; R499-K503 PolarHBondContact O-N 3.35Å
500	T	58.6	Low	57	Low	60 Å²	60	80.2 Å²	80.2	37%	0.368	35%	0.352	S	S	.	.	H	α-helix	trans	-70.9	-43.3	176.2	44.9	0	0	0	0	111.4	K496 T497 R502 K503 S504	K496-T500 PolarHBondContact O-N 2.94Å; K496-T500 VanDerWaalsContact O-N 3.14Å; K496-T500 PolarHBondContact O-OG1 3.31Å; T497-T500 WeakPolarHBondContact CA-OG1 3.41Å; T497-T500 PolarHBondContact O-N 3.5Å; T497-T500 PolarHBondContact O-OG1 2.03Å; T500-R502 VanDerWaalsContact C-N 3.32Å; T500-R502 PolarHBondContact O-N 3.33Å; T500-K503 WeakPolarHBondContact O-CB 3.09Å; T500-K503 PolarHBondContact O-N 3.3Å; T500-S504 PolarHBondContact O-N 2.87Å; T500-S504 VanDerWaalsContact O-N 3.12Å
501	L	57.3	Low	56.6	Low	12 Å²	12	83.8 Å²	83.8	6%	0.063	37%	0.368	C	S	.	.	H	α-helix	trans	-57.6	-42.7	173.1	-78.3	163.5	0	0	0	112.1	I348 F396 F467 T497 K503 S504 I505 F510	I348-L501 HydrophobicContact CD1-CD1 4.42Å; F396-L501 HydrophobicContact CE1-CB 4.26Å; F396-L501 HydrophobicContact CZ-CB 4.28Å; F467-L501 HydrophobicContact CE1-CD1 4.36Å; F467-L501 HydrophobicContact CZ-CD1 4.03Å; T497-L501 HydrophobicContact CG2-CD1 4.31Å; T497-L501 WeakPolarHBondContact O-CG 3.42Å; T497-L501 PolarHBondContact O-N 2.84Å; L501-K503 PolarHBondContact O-N 3.35Å; L501-S504 PolarHBondContact O-N 3.04Å; L501-I505 WeakPolarHBondContact O-CG1 3.04Å; L501-I505 PolarHBondContact O-N 3.33Å; L501-F510 HydrophobicContact CD2-CE2 4.1Å
502	R	59.2	Low	56.1	Low	111 Å²	111	81.8 Å²	81.8	42%	0.419	36%	0.359	S	S	.	.	H	α-helix	trans	-59.4	-33.4	175.3	-173.1	173.5	-74	172.8	-5.2	112.6	T395 F396 I498 T500 N506	T395-R502 PolarHBondContact O-NH2 3.35Å; F396-R502 HydrophobicContact CD1-CB 3.71Å; F396-R502 HydrophobicContact CD1-CG 3.99Å; F396-R502 HydrophobicContact CE1-CB 3.8Å; I498-R502 WeakPolarHBondContact O-CB 3.32Å; I498-R502 PolarHBondContact O-N 3.08Å; T500-R502 VanDerWaalsContact C-N 3.32Å; T500-R502 PolarHBondContact O-N 3.33Å; R502-N506 WeakPolarHBondContact O-CB 3.37Å; R502-N506 PolarHBondContact O-N 2.04Å; R502-N506 PolarHBondContact O-ND2 3.25Å
503	K	57.1	Low	55.5	Low	135 Å²	135	77.3 Å²	77.3	59%	0.587	34%	0.34	S	S	*	.	H	α-helix	trans	-76.7	-33.8	-178.9	-149	-179.6	-176.4	-171.4	0	112.2	R499 T500 L501 R507	R499-K503 PolarHBondContact O-N 3.35Å; T500-K503 WeakPolarHBondContact O-CB 3.09Å; T500-K503 PolarHBondContact O-N 3.3Å; L501-K503 PolarHBondContact O-N 3.35Å; K503-R507 WeakPolarHBondContact O-CG 3.42Å
504	S	56.1	Low	55	Low	5 Å²	5	74.7 Å²	74.7	4%	0.035	33%	0.331	C	S	.	.	H	α-helix	trans	-76	-43.8	177.1	170.5	0	0	0	0	112.5	Y356 T500 L501 N506 R507 E508	Y356-S504 WeakPolarHBondContact CD2-OG 3.45Å; T500-S504 PolarHBondContact O-N 2.87Å; T500-S504 VanDerWaalsContact O-N 3.12Å; L501-S504 PolarHBondContact O-N 3.04Å; S504-N506 VanDerWaalsContact C-N 3.27Å; S504-N506 PolarHBondContact O-N 3.16Å; S504-R507 PolarHBondContact O-N 3.37Å; S504-E508 PolarHBondContact O-N 3.39Å
505	I	54.9	Low	54	Low	25 Å²	25	78.4 Å²	78.4	13%	0.128	36%	0.362	C	S	.	.	H	α-helix	trans	-60.2	-38.2	176	-67.1	168.1	0	0	0	111.3	F396 L501 R507 F510	F396-I505 HydrophobicContact CB-CD1 4.25Å; F396-I505 HydrophobicContact CD1-CD1 4.04Å; F396-I505 HydrophobicContact CD2-CD1 3.93Å; F396-I505 HydrophobicContact CE1-CD1 4.37Å; F396-I505 HydrophobicContact CE2-CD1 4.26Å; F396-I505 HydrophobicContact CG-CD1 3.81Å; F396-I505 HydrophobicContact CZ-CD1 4.47Å; L501-I505 WeakPolarHBondContact O-CG1 3.04Å; L501-I505 PolarHBondContact O-N 3.33Å; I505-R507 PolarHBondContact O-N 3.22Å; I505-F510 HydrophobicContact CG1-CB 4.34Å; I505-F510 HydrophobicContact CG1-CD2 4.18Å; I505-F510 HydrophobicContact CG1-CG 4.19Å
506	N	53.1	Low	53	Low	91 Å²	91	73.9 Å²	73.9	49%	0.487	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-7.5	177.7	-72.5	2	0	0	0	114.1	R502 S504	R502-N506 WeakPolarHBondContact O-CB 3.37Å; R502-N506 PolarHBondContact O-N 2.04Å; R502-N506 PolarHBondContact O-ND2 3.25Å; S504-N506 VanDerWaalsContact C-N 3.27Å; S504-N506 PolarHBondContact O-N 3.16Å
507	R	51.6	Low	52.1	Low	145 Å²	145	68.1 Å²	68.1	55%	0.547	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112	9.1	-179.5	-77.4	-177.4	172.5	-169.4	-6	113.9	K503 S504 I505 Q509	K503-R507 WeakPolarHBondContact O-CG 3.42Å; S504-R507 PolarHBondContact O-N 3.37Å; I505-R507 PolarHBondContact O-N 3.22Å; R507-Q509 VanDerWaalsContact C-N 3.29Å; R507-Q509 PolarHBondContact O-N 2.84Å
508	E	50.2	Low	51.2	Low	173 Å²	173	69.2 Å²	69.2	81%	0.808	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	21.9	178	-54.2	-177.6	167.7	0	0	115.2	S504	S504-E508 PolarHBondContact O-N 3.39Å
509	Q	49.7	Very low	50.5	Low	64 Å²	64	70.3 Å²	70.3	30%	0.299	35%	0.35	S	S	.	.			trans	-111.6	31.9	-175.6	-68	177.8	-43.2	0	0	113.8	E353 R507	E353-Q509 PolarHBondContact O-NE2 2.91Å; R507-Q509 VanDerWaalsContact C-N 3.29Å; R507-Q509 PolarHBondContact O-N 2.84Å
510	F	51.3	Low	49.9	Very low	36 Å²	36	66.3 Å²	66.3	16%	0.158	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	121.1	-177	-174	-99	0	0	0	110.9	V358 L501 I505 L512 L521	V358-F510 HydrophobicContact CG2-CE2 4.16Å; V358-F510 HydrophobicContact CG2-CZ 4.12Å; L501-F510 HydrophobicContact CD2-CE2 4.1Å; I505-F510 HydrophobicContact CG1-CB 4.34Å; I505-F510 HydrophobicContact CG1-CD2 4.18Å; I505-F510 HydrophobicContact CG1-CG 4.19Å; F510-L512 HydrophobicContact CE1-CD1 4.45Å; F510-L521 HydrophobicContact CD1-CD1 4.46Å
511	H	50.7	Low	49.4	Very low	86 Å²	86	67.4 Å²	67.4	40%	0.398	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	133.8	-175.5	-61.6	5.3	0	0	0	110.3	Y356	Y356-H511 PolarHBondContact O-N 2.93Å
512	L	50.1	Low	48.6	Very low	16 Å²	16	69.4 Å²	69.4	8%	0.084	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	115.3	-174.9	-167.4	84.5	0	0	0	110.7	L340 L405 L438 F510 Y519	L340-L512 HydrophobicContact CD2-CD1 4.23Å; L340-L512 HydrophobicContact CD2-CD2 4.42Å; L405-L512 HydrophobicContact CD2-CD2 4.39Å; L438-L512 HydrophobicContact CD1-CD1 4.42Å; F510-L512 HydrophobicContact CE1-CD1 4.45Å; L512-Y519 PolarHBondContact O-N 2.99Å; L512-Y519 VanDerWaalsContact O-N 3.08Å
513	H	46.1	Very low	47.6	Very low	68 Å²	68	73.1 Å²	73.1	32%	0.315	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	115.2	179.2	-121.6	-51.7	0	0	0	109.8	T357 V358 T359 D518	T357-H513 HydrophobicContact CG2-CB 3.8Å; V358-H513 VanDerWaalsContact O-O 3.11Å; T359-H513 HydrophobicContact CG2-CB 4.21Å; H513-D518 IonicContact CD2-OD1 2.74Å; H513-D518 PolarHBondContact CD2-OD1 2.77Å; H513-D518 IonicContact CE1-OD1 3.53Å; H513-D518 PolarHBondContact CE1-OD1 3.3Å; H513-D518 IonicContact CE1-OD2 3.63Å; H513-D518 PolarHBondContact CE1-OD2 3.29Å; H513-D518 IonicContact CG-OD1 3.69Å; H513-D518 IonicContact ND1-OD1 3.66Å; H513-D518 PolarHBondContact ND1-OD1 3.36Å; H513-D518 VanDerWaalsContact ND1-OD1 3.08Å; H513-D518 IonicContact ND1-OD2 2.71Å; H513-D518 IonicContact NE2-OD1 2.76Å; H513-D518 PolarHBondContact NE2-OD1 3.17Å; H513-D518 IonicContact NE2-OD2 2.76Å; H513-D518 PolarHBondContact NE2-OD2 3.34Å
514	F	48.1	Very low	46.6	Very low	23 Å²	23	70 Å²	70	10%	0.101	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	126.4	-171	-179.7	-97	0	0	0	112.3	P325 L327 L340 G516 A517 Y519	P325-F514 HydrophobicContact CB-CE2 3.56Å; P325-F514 HydrophobicContact CB-CZ 4.07Å; P325-F514 HydrophobicContact CG-CD2 4.21Å; P325-F514 HydrophobicContact CG-CE2 3.4Å; P325-F514 HydrophobicContact CG-CZ 3.79Å; P325-F514 VanDerWaalsContact O-CZ 3.26Å; P325-F514 WeakPolarHBondContact O-CZ 3.43Å; L327-F514 HydrophobicContact CB-CE1 4.34Å; L327-F514 HydrophobicContact CB-CZ 4.3Å; L340-F514 HydrophobicContact CD1-CD2 3.7Å; L340-F514 HydrophobicContact CD1-CE2 3.42Å; L340-F514 VanDerWaalsContact CD1-CE2 3.42Å; L340-F514 HydrophobicContact CD1-CZ 4.14Å; F514-G516 PolarHBondContact O-N 2.04Å; F514-A517 PolarHBondContact N-O 3Å; F514-A517 PolarHBondContact O-N 3.37Å; F514-Y519 HydrophobicContact CB-CD2 4.33Å; F514-Y519 HydrophobicContact CB-CE2 4.16Å; F514-Y519 HydrophobicContact CD1-CE2 4.47Å
515	A	40.6	Very low	45.3	Very low	82 Å²	82	79.5 Å²	79.5	68%	0.678	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	36.2	176.9	0	0	0	0	0	114.4
516	G	40	Very low	44.2	Very low	61 Å²	61	81.6 Å²	81.6	63%	0.629	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	11.8	-179.3	0	0	0	0	0	115.9	F514	F514-G516 PolarHBondContact O-N 2.04Å
517	A	38.4	Very low	43.1	Very low	19 Å²	19	85.7 Å²	85.7	16%	0.157	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	148.7	176.3	0	0	0	0	0	112.3	F514 Y519	F514-A517 PolarHBondContact N-O 3Å; F514-A517 PolarHBondContact O-N 3.37Å; A517-Y519 HydrophobicContact CB-CE2 3.89Å
518	D	41.1	Very low	41.9	Very low	57 Å²	57	85.1 Å²	85.1	31%	0.305	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	139.9	175.8	-77.4	-55.4	0	0	0	111.9	S408 H513	S408-D518 PolarHBondContact N-O 3.1Å; S408-D518 VanDerWaalsContact N-O 3.14Å; H513-D518 IonicContact CD2-OD1 2.74Å; H513-D518 PolarHBondContact CD2-OD1 2.77Å; H513-D518 IonicContact CE1-OD1 3.53Å; H513-D518 PolarHBondContact CE1-OD1 3.3Å; H513-D518 IonicContact CE1-OD2 3.63Å; H513-D518 PolarHBondContact CE1-OD2 3.29Å; H513-D518 IonicContact CG-OD1 3.69Å; H513-D518 IonicContact ND1-OD1 3.66Å; H513-D518 PolarHBondContact ND1-OD1 3.36Å; H513-D518 VanDerWaalsContact ND1-OD1 3.08Å; H513-D518 IonicContact ND1-OD2 2.71Å; H513-D518 IonicContact NE2-OD1 2.76Å; H513-D518 PolarHBondContact NE2-OD1 3.17Å; H513-D518 IonicContact NE2-OD2 2.76Å; H513-D518 PolarHBondContact NE2-OD2 3.34Å
519	Y	46.9	Very low	41	Very low	43 Å²	43	82.9 Å²	82.9	17%	0.169	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	124.3	179.6	-69	-95.1	0	0	0	111	L405 R407 L512 F514 A517	L405-Y519 HydrophobicContact CD2-CD1 4.36Å; L405-Y519 HydrophobicContact CD2-CG 4.42Å; R407-Y519 HydrophobicContact CB-CD1 4.38Å; R407-Y519 HydrophobicContact CB-CE1 3.83Å; R407-Y519 HydrophobicContact CG-CE1 4.28Å; L512-Y519 PolarHBondContact O-N 2.99Å; L512-Y519 VanDerWaalsContact O-N 3.08Å; F514-Y519 HydrophobicContact CB-CD2 4.33Å; F514-Y519 HydrophobicContact CB-CE2 4.16Å; F514-Y519 HydrophobicContact CD1-CE2 4.47Å; A517-Y519 HydrophobicContact CB-CE2 3.89Å
520	D	46.3	Very low	40	Very low	80 Å²	80	83.4 Å²	83.4	43%	0.428	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	145.1	177.5	-78.7	-32.1	0	0	0	112.3	K406	K406-D520 PolarHBondContact N-O 2.67Å; K406-D520 PolarHBondContact O-N 3.41Å
521	L	49.3	Very low	39	Very low	84 Å²	84	88.3 Å²	88.3	44%	0.44	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	102	171.7	-70.7	165.5	0	0	0	108.9	L405 F510	L405-L521 HydrophobicContact CG-CD2 4.35Å; F510-L521 HydrophobicContact CD1-CD1 4.46Å
522	S	40.6	Very low	38.6	Very low	53 Å²	53	90.6 Å²	90.6	37%	0.371	53%	0.533	S	S	.	.			trans	-108.2	140.3	-178.5	61.4	0	0	0	0	113.5
523	R	37.8	Very low	38.5	Very low	190 Å²	190	91.6 Å²	91.6	72%	0.717	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-76.9	124.6	171.7	-91.2	173.1	89.4	179	5.4	110.4	A401	A401-R523 HydrophobicContact CB-CG 3.68Å
524	S	35.5	Very low	38.9	Very low	70 Å²	70	96.9 Å²	96.9	49%	0.49	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-102.3	124	162.3	71.6	0	0	0	0	110.8	G526	S524-G526 PolarHBondContact O-N 3.38Å
525	Q	28.1	Very low	39.7	Very low	203 Å²	203	97.2 Å²	97.2	95%	0.949	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-66.3	124.8	171.3	-132.7	169.2	-3.4	0	0	109.3
526	G	32.4	Very low	41	Very low	69 Å²	69	98.7 Å²	98.7	71%	0.711	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-94.6	134.4	-175.5	0	0	0	0	0	114	S524	S524-G526 PolarHBondContact O-N 3.38Å
527	Q	30.1	Very low	42.2	Very low	178 Å²	178	99 Å²	99	83%	0.832	57%	0.569	S	S	*	*			trans	-168.2	150.8	154	-114.9	177.7	-31.9	0	0	107.5
528	L	27.6	Very low	43.5	Very low	133 Å²	133	98.2 Å²	98.2	70%	0.696	56%	0.563	S	S	*	*			cis	-159	155.8	20.9	-139.3	136.9	0	0	0	109.3
529	V	30.5	Very low	45.2	Very low	125 Å²	125	98.4 Å²	98.4	76%	0.758	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-47.2	138.8	175	172.9	0	0	0	0	113	L531	V529-L531 PolarHBondContact O-N 3.34Å
530	G	28.6	Very low	46.8	Very low	75 Å²	75	97.6 Å²	97.6	77%	0.773	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-59.8	120.7	-178.6	0	0	0	0	0	113.8
531	L	31.1	Very low	48.3	Very low	140 Å²	140	98.3 Å²	98.3	73%	0.733	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-74.2	155	153	-91.5	105.2	0	0	0	110	V529 G533	V529-L531 PolarHBondContact O-N 3.34Å; L531-G533 PolarHBondContact O-N 3.43Å; L531-G533 VanDerWaalsContact O-N 3.15Å
532	P	40.7	Very low	49.4	Very low	133 Å²	133	98.5 Å²	98.5	86%	0.864	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	113.1	179.5	27.4	-30.9	0	0	0	110.2
533	G	49	Very low	50.2	Low	37 Å²	37	99.7 Å²	99.7	38%	0.381	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	148.4	-0.5	171.9	0	0	0	0	0	118.1	L531	L531-G533 PolarHBondContact O-N 3.43Å; L531-G533 VanDerWaalsContact O-N 3.15Å
534	H	54.5	Low	51.6	Low	180 Å²	180	102.1 Å²	102.1	83%	0.833	60%	0.599	S	S	*	*			trans	-119.4	127	-179.6	-68.8	71.9	0	0	0	111.6
535	C	65.1	Low	52.4	Low	29 Å²	29	106.4 Å²	106.4	20%	0.196	61%	0.609	C	S	.	*	P	Polyproline II helix	trans	-89.1	160	-179.7	-60.7	0	0	0	0	111.8	Q539 C546	C535-Q539 HydrophobicContact CB-CB 3.91Å; C535-Q539 WeakPolarHBondContact CB-O 2.84Å; C535-C546 WeakPolarHBondContact CA-SG 3.45Å; C535-C546 HydrophobicContact CB-CB 3.68Å; C535-C546 WeakPolarHBondContact CB-SG 3.26Å; C535-C546 WeakPolarHBondContact SG-CA 3.23Å; C535-C546 WeakPolarHBondContact SG-CB 3.49Å; C535-C546 CovalentContact SG-SG 2.04Å; C535-C546 PolarHBondContact SG-SG 2.8Å
536	L	66.6	Low	54.7	Low	114 Å²	114	99.6 Å²	99.6	60%	0.597	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-69.4	157.1	177.1	-65.9	171.1	0	0	0	110.9	G538 Q539	L536-G538 PolarHBondContact O-N 2.99Å; L536-Q539 WeakPolarHBondContact O-CA 3.19Å; L536-Q539 WeakPolarHBondContact O-CB 3.27Å; L536-Q539 PolarHBondContact O-N 2.89Å
537	A	65.6	Low	56.7	Low	67 Å²	67	99.6 Å²	99.6	55%	0.554	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	131.7	173.5	0	0	0	0	0	110.1	Y555 M577	A537-Y555 HydrophobicContact CB-CD1 4.36Å; A537-Y555 HydrophobicContact CB-CE1 4.1Å; A537-M577 HydrophobicContact CB-CE 3.97Å; A537-M577 HydrophobicContact CB-SD 3.96Å
538	G	67.2	Low	59.2	Low	2 Å²	2	93 Å²	93	2%	0.021	54%	0.542	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.4	-7.6	-168.3	0	0	0	0	0	114.4	L536 S548 C549 Y555 G575	L536-G538 PolarHBondContact O-N 2.99Å; G538-S548 WeakPolarHBondContact O-CA 3.4Å; G538-C549 PolarHBondContact O-N 2.61Å; G538-Y555 VanDerWaalsContact N-CG 3.26Å; G538-G575 WeakPolarHBondContact CA-O 3.36Å; G538-G575 VanDerWaalsContact O-CA 3.3Å; G538-G575 WeakPolarHBondContact O-CA 3.44Å
539	Q	76.4	Confident	61.9	Low	61 Å²	61	86.7 Å²	86.7	29%	0.285	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	144.8	-178.3	-60.6	179.5	-9.4	0	0	112.4	C535 L536 C546 V547 Y555	C535-Q539 HydrophobicContact CB-CB 3.91Å; C535-Q539 WeakPolarHBondContact CB-O 2.84Å; L536-Q539 WeakPolarHBondContact O-CA 3.19Å; L536-Q539 WeakPolarHBondContact O-CB 3.27Å; L536-Q539 PolarHBondContact O-N 2.89Å; Q539-C546 HydrophobicContact CB-CB 4.32Å; Q539-V547 CarbonylContact C-O 3.44Å; Q539-V547 VanDerWaalsContact CA-O 3.24Å; Q539-V547 WeakPolarHBondContact CA-O 3.18Å; Q539-Y555 WeakPolarHBondContact O-CE2 3.33Å
540	V	81	Confident	64.4	Low	26 Å²	26	83.3 Å²	83.3	16%	0.158	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	148.6	178.2	-68	0	0	0	0	111.4	V542 V547 Y555 H561 C562	V540-V542 HydrophobicContact CG2-CG2 4.17Å; V540-V542 PolarHBondContact O-N 2.71Å; V540-V547 PolarHBondContact N-O 3.03Å; V540-V547 PolarHBondContact O-N 3.39Å; V540-Y555 HydrophobicContact CG1-CD2 4.32Å; V540-Y555 HydrophobicContact CG1-CE2 4.28Å; V540-H561 HydrophobicContact CG1-CB 4.47Å; V540-C562 WeakPolarHBondContact CG1-SG 3.42Å; V540-C562 VanDerWaalsContact CG2-SG 3.6Å
541	L	77.3	Confident	67	Low	95 Å²	95	80.9 Å²	80.9	50%	0.497	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	111	-179.1	-169.3	77.1	0	0	0	110.4
542	V	71.2	Confident	69.4	Low	88 Å²	88	74.3 Å²	74.3	53%	0.533	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	115.4	175	-174.1	0	0	0	0	109	V540 R544 K545 V547	V540-V542 HydrophobicContact CG2-CG2 4.17Å; V540-V542 PolarHBondContact O-N 2.71Å; V542-R544 VanDerWaalsContact C-N 3.32Å; V542-R544 PolarHBondContact O-N 2.04Å; V542-K545 PolarHBondContact N-O 3.41Å; V542-K545 PolarHBondContact O-N 3.11Å; V542-K545 VanDerWaalsContact O-O 3.09Å; V542-V547 HydrophobicContact CB-CG2 4.02Å; V542-V547 HydrophobicContact CG2-CB 4.37Å; V542-V547 HydrophobicContact CG2-CG2 4.22Å
543	G	58.3	Low	71.6	Confident	78 Å²	78	68.9 Å²	68.9	80%	0.804	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	31.8	172.4	0	0	0	0	0	115.8
544	R	67.1	Low	73.3	Confident	242 Å²	242	69.8 Å²	69.8	91%	0.913	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	7.5	-171.9	-55.9	-174.4	177.4	-167.6	-0.1	116.5	V542	V542-R544 VanDerWaalsContact C-N 3.32Å; V542-R544 PolarHBondContact O-N 2.04Å
545	K	52.9	Low	74.6	Confident	160 Å²	160	63 Å²	63	70%	0.696	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115	142.8	171.7	-69.3	-177.1	178.1	-178	0	110.3	V542	V542-K545 PolarHBondContact N-O 3.41Å; V542-K545 PolarHBondContact O-N 3.11Å; V542-K545 VanDerWaalsContact O-O 3.09Å
546	C	74.8	Confident	75.4	Confident	60 Å²	60	62.7 Å²	62.7	41%	0.405	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	124.2	171.3	-65.2	0	0	0	0	109.1	C535 Q539	C535-C546 WeakPolarHBondContact CA-SG 3.45Å; C535-C546 HydrophobicContact CB-CB 3.68Å; C535-C546 WeakPolarHBondContact CB-SG 3.26Å; C535-C546 WeakPolarHBondContact SG-CA 3.23Å; C535-C546 WeakPolarHBondContact SG-CB 3.49Å; C535-C546 CovalentContact SG-SG 2.04Å; C535-C546 PolarHBondContact SG-SG 2.8Å; Q539-C546 HydrophobicContact CB-CB 4.32Å
547	V	76.1	Confident	75.7	Confident	69 Å²	69	59.9 Å²	59.9	42%	0.418	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.6	-178.5	-176.7	0	0	0	0	107.9	Q539 V540 V542	Q539-V547 CarbonylContact C-O 3.44Å; Q539-V547 VanDerWaalsContact CA-O 3.24Å; Q539-V547 WeakPolarHBondContact CA-O 3.18Å; V540-V547 PolarHBondContact N-O 3.03Å; V540-V547 PolarHBondContact O-N 3.39Å; V542-V547 HydrophobicContact CB-CG2 4.02Å; V542-V547 HydrophobicContact CG2-CB 4.37Å; V542-V547 HydrophobicContact CG2-CG2 4.22Å
548	S	80.9	Confident	76.1	Confident	38 Å²	38	64.4 Å²	64.4	27%	0.266	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	146	175	-59.3	0	0	0	0	111.3	G538 S550	G538-S548 WeakPolarHBondContact O-CA 3.4Å; S548-S550 PolarHBondContact O-N 3.34Å
549	C	85.3	Confident	76.2	Confident	1 Å²	1	69.7 Å²	69.7	1%	0.007	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-58.6	128.2	171.2	-67.4	0	0	0	0	109.8	G538 C562 E574 G575	G538-C549 PolarHBondContact O-N 2.61Å; C549-C562 WeakPolarHBondContact CA-SG 3.33Å; C549-C562 HydrophobicContact CB-CB 3.78Å; C549-C562 WeakPolarHBondContact CB-SG 3.48Å; C549-C562 WeakPolarHBondContact SG-CB 2.82Å; C549-C562 CovalentContact SG-SG 2.03Å; C549-C562 PolarHBondContact SG-SG 3.32Å; C549-E574 CarbonylContact O-C 3.49Å; C549-E574 VanDerWaalsContact O-CA 3.24Å; C549-E574 WeakPolarHBondContact O-CA 3.26Å; C549-G575 PolarHBondContact O-N 3.27Å
550	S	82.5	Confident	75.9	Confident	55 Å²	55	69 Å²	69	39%	0.385	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-73.4	157.6	-177	51.4	0	0	0	0	111.7	S548 G552 T553	S548-S550 PolarHBondContact O-N 3.34Å; S550-G552 PolarHBondContact O-N 2.74Å; S550-T553 PolarHBondContact N-OG1 3.19Å; S550-T553 WeakPolarHBondContact O-CB 3.21Å; S550-T553 PolarHBondContact O-N 3.35Å; S550-T553 PolarHBondContact O-OG1 2.87Å
551	A	84.5	Confident	76	Confident	23 Å²	23	71.9 Å²	71.9	19%	0.19	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	140	172.4	0	0	0	0	0	111.3	T553 Q571 R597	A551-T553 VanDerWaalsContact C-N 3.34Å; A551-Q571 CarbonylContact C-O 3.5Å; A551-R597 HydrophobicContact CB-CB 4.23Å; A551-R597 WeakPolarHBondContact O-CG 3.36Å; A551-R597 PolarHBondContact O-NE 2.85Å
552	G	81.5	Confident	76.4	Confident	3 Å²	3	69 Å²	69	3%	0.031	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	84	1	-169.5	0	0	0	0	0	114.7	S550 T564 C565 Q571 A596	S550-G552 PolarHBondContact O-N 2.74Å; G552-T564 WeakPolarHBondContact O-CA 3.36Å; G552-C565 PolarHBondContact O-N 2.83Å; G552-Q571 PolarHBondContact N-O 3.35Å; G552-A596 WeakPolarHBondContact CA-O 3.44Å
553	T	86	Confident	77.2	Confident	18 Å²	18	66.2 Å²	66.2	11%	0.11	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	152.6	174.4	71.7	0	0	0	0	111.6	S550 A551 V563 T564	S550-T553 PolarHBondContact N-OG1 3.19Å; S550-T553 WeakPolarHBondContact O-CB 3.21Å; S550-T553 PolarHBondContact O-N 3.35Å; S550-T553 PolarHBondContact O-OG1 2.87Å; A551-T553 VanDerWaalsContact C-N 3.34Å; T553-V563 CarbonylContact C-O 3.53Å; T553-V563 WeakPolarHBondContact CA-O 3.28Å; T553-V563 VanDerWaalsContact CB-O 3.3Å; T553-V563 WeakPolarHBondContact CB-O 2.91Å; T553-T564 HydrophobicContact CG2-CG2 4.21Å
554	Y	84.8	Confident	78.6	Confident	57 Å²	57	66.3 Å²	66.3	22%	0.224	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	150.9	173.3	74.2	-76.4	0	0	0	110.6	D556 C562 V563 Q576 C579	Y554-D556 HydrophobicContact CE2-CB 4.25Å; Y554-D556 PolarHBondContact O-N 2.73Å; Y554-C562 WeakPolarHBondContact O-CA 3.35Å; Y554-V563 HydrophobicContact CD1-CB 4.33Å; Y554-V563 VanDerWaalsContact CD1-O 3.31Å; Y554-V563 WeakPolarHBondContact CD1-O 3.2Å; Y554-V563 HydrophobicContact CE1-CB 3.84Å; Y554-V563 HydrophobicContact CE1-CG1 3.95Å; Y554-V563 PolarHBondContact N-O 2.7Å; Y554-V563 PolarHBondContact O-N 3.5Å; Y554-Q576 WeakPolarHBondContact CA-O 3.46Å; Y554-C579 WeakPolarHBondContact CD1-SG 3.03Å
555	Y	82.4	Confident	79.5	Confident	36 Å²	36	54.8 Å²	54.8	14%	0.141	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	112	177.5	-177.6	-97.3	0	0	0	110.6	A537 G538 Q539 V540 G557 Q576 M577	A537-Y555 HydrophobicContact CB-CD1 4.36Å; A537-Y555 HydrophobicContact CB-CE1 4.1Å; G538-Y555 VanDerWaalsContact N-CG 3.26Å; Q539-Y555 WeakPolarHBondContact O-CE2 3.33Å; V540-Y555 HydrophobicContact CG1-CD2 4.32Å; V540-Y555 HydrophobicContact CG1-CE2 4.28Å; Y555-G557 PolarHBondContact O-N 3.28Å; Y555-Q576 PolarHBondContact N-O 3.2Å; Y555-M577 HydrophobicContact CD1-CE 4.16Å; Y555-M577 HydrophobicContact CD1-SD 3.86Å; Y555-M577 HydrophobicContact CG-SD 4.42Å
556	D	82.1	Confident	81	Confident	24 Å²	24	50.4 Å²	50.4	13%	0.128	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	111.8	172.5	-172.1	-13.6	0	0	0	109.7	Y554 D558 Q559 G560 H561 V563	Y554-D556 HydrophobicContact CE2-CB 4.25Å; Y554-D556 PolarHBondContact O-N 2.73Å; D556-D558 PolarHBondContact O-N 2.95Å; D556-D558 PolarHBondContact OD1-N 2.91Å; D556-Q559 HydrophobicContact CB-CB 4.21Å; D556-Q559 PolarHBondContact O-N 2.6Å; D556-Q559 VanDerWaalsContact OD2-CD 3.32Å; D556-Q559 VanDerWaalsContact OD2-CG 3.31Å; D556-Q559 WeakPolarHBondContact OD2-CG 2.98Å; D556-Q559 PolarHBondContact OD2-NE2 3.08Å; D556-G560 PolarHBondContact O-N 2.82Å; D556-H561 PolarHBondContact N-O 2.86Å; D556-V563 HydrophobicContact CB-CG2 3.88Å
557	G	71.9	Confident	81.2	Confident	54 Å²	54	50.1 Å²	50.1	56%	0.557	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-24.1	180	0	0	0	0	0	114.1	Y555	Y555-G557 PolarHBondContact O-N 3.28Å
558	D	73.1	Confident	81.2	Confident	162 Å²	162	47.1 Å²	47.1	87%	0.866	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-32.9	179.8	-66.5	-32.4	0	0	0	111.5	D556	D556-D558 PolarHBondContact O-N 2.95Å; D556-D558 PolarHBondContact OD1-N 2.91Å
559	Q	70.2	Confident	81.3	Confident	114 Å²	114	46.4 Å²	46.4	53%	0.533	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-11.9	-177.9	-59	-176.5	55.7	0	0	114.2	D556 H561	D556-Q559 HydrophobicContact CB-CB 4.21Å; D556-Q559 PolarHBondContact O-N 2.6Å; D556-Q559 VanDerWaalsContact OD2-CD 3.32Å; D556-Q559 VanDerWaalsContact OD2-CG 3.31Å; D556-Q559 WeakPolarHBondContact OD2-CG 2.98Å; D556-Q559 PolarHBondContact OD2-NE2 3.08Å; Q559-H561 VanDerWaalsContact CB-CE1 3.44Å; Q559-H561 WeakPolarHBondContact CB-CE1 3.46Å; Q559-H561 WeakPolarHBondContact CB-ND1 3.44Å; Q559-H561 PolarHBondContact O-N 2.77Å; Q559-H561 PolarHBondContact O-ND1 3.2Å; Q559-H561 PolarHBondContact OE1-CE1 2.97Å
560	G	70.6	Confident	81.2	Confident	45 Å²	45	47 Å²	47	46%	0.464	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	65	20.7	175.9	0	0	0	0	0	115	D556	D556-G560 PolarHBondContact O-N 2.82Å
561	H	82.9	Confident	81.3	Confident	87 Å²	87	44.5 Å²	44.5	40%	0.403	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	166.5	177.6	68.9	-83.6	0	0	0	112.3	V540 D556 Q559	V540-H561 HydrophobicContact CG1-CB 4.47Å; D556-H561 PolarHBondContact N-O 2.86Å; Q559-H561 VanDerWaalsContact CB-CE1 3.44Å; Q559-H561 WeakPolarHBondContact CB-CE1 3.46Å; Q559-H561 WeakPolarHBondContact CB-ND1 3.44Å; Q559-H561 PolarHBondContact O-N 2.77Å; Q559-H561 PolarHBondContact O-ND1 3.2Å; Q559-H561 PolarHBondContact OE1-CE1 2.97Å
562	C	85.5	Confident	81.1	Confident	34 Å²	34	46.6 Å²	46.6	23%	0.23	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	124.6	179.5	-52.3	0	0	0	0	110.6	V540 C549 Y554	V540-C562 WeakPolarHBondContact CG1-SG 3.42Å; V540-C562 VanDerWaalsContact CG2-SG 3.6Å; C549-C562 WeakPolarHBondContact CA-SG 3.33Å; C549-C562 HydrophobicContact CB-CB 3.78Å; C549-C562 WeakPolarHBondContact CB-SG 3.48Å; C549-C562 WeakPolarHBondContact SG-CB 2.82Å; C549-C562 CovalentContact SG-SG 2.03Å; C549-C562 PolarHBondContact SG-SG 3.32Å; Y554-C562 WeakPolarHBondContact O-CA 3.35Å
563	V	87.6	Confident	81.1	Confident	31 Å²	31	49.8 Å²	49.8	19%	0.188	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	139.2	179.8	-177.6	0	0	0	0	109.2	T553 Y554 D556	T553-V563 CarbonylContact C-O 3.53Å; T553-V563 WeakPolarHBondContact CA-O 3.28Å; T553-V563 VanDerWaalsContact CB-O 3.3Å; T553-V563 WeakPolarHBondContact CB-O 2.91Å; Y554-V563 HydrophobicContact CD1-CB 4.33Å; Y554-V563 VanDerWaalsContact CD1-O 3.31Å; Y554-V563 WeakPolarHBondContact CD1-O 3.2Å; Y554-V563 HydrophobicContact CE1-CB 3.84Å; Y554-V563 HydrophobicContact CE1-CG1 3.95Å; Y554-V563 PolarHBondContact N-O 2.7Å; Y554-V563 PolarHBondContact O-N 3.5Å; D556-V563 HydrophobicContact CB-CG2 3.88Å
564	T	87.5	Confident	80.9	Confident	80 Å²	80	55.6 Å²	55.6	49%	0.491	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	142.7	176.8	50.8	0	0	0	0	111.8	G552 T553	G552-T564 WeakPolarHBondContact O-CA 3.36Å; T553-T564 HydrophobicContact CG2-CG2 4.21Å
565	C	85.7	Confident	80.4	Confident	0 Å²	0	54 Å²	54	0%	0	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-58.2	130.1	177	-72.6	0	0	0	0	111.6	G552 Q571 C579 G595	G552-C565 PolarHBondContact O-N 2.83Å; C565-Q571 WeakPolarHBondContact SG-CB 3.11Å; C565-C579 WeakPolarHBondContact CA-SG 3.31Å; C565-C579 HydrophobicContact CB-CB 3.83Å; C565-C579 WeakPolarHBondContact CB-SG 3.3Å; C565-C579 WeakPolarHBondContact SG-CB 3.41Å; C565-C579 CovalentContact SG-SG 2.04Å; C565-C579 PolarHBondContact SG-SG 3.02Å; C565-G595 PolarHBondContact O-N 3.42Å
566	P	84.6	Confident	80	Confident	68 Å²	68	55.7 Å²	55.7	44%	0.442	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-63.9	160	178.1	25.6	-33.2	0	0	0	111.8	G568 T569	P566-G568 PolarHBondContact O-N 3.29Å; P566-T569 WeakPolarHBondContact CD-OG1 3.45Å; P566-T569 HydrophobicContact CG-CG2 4.22Å; P566-T569 WeakPolarHBondContact CG-OG1 3.49Å; P566-T569 PolarHBondContact O-N 2.81Å; P566-T569 PolarHBondContact O-OG1 2.96Å
567	A	80.5	Confident	79.8	Confident	53 Å²	53	59.3 Å²	59.3	44%	0.438	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	133.9	-178.8	0	0	0	0	0	112	T569 V593 I594	A567-T569 VanDerWaalsContact C-N 3.34Å; A567-V593 WeakPolarHBondContact CA-O 3.33Å; A567-I594 HydrophobicContact CB-CG1 4.16Å
568	G	74.9	Confident	80.3	Confident	7 Å²	7	60.2 Å²	60.2	7%	0.072	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	13.6	-176	0	0	0	0	0	114.6	P566 C582	P566-G568 PolarHBondContact O-N 3.29Å; G568-C582 VanDerWaalsContact C-SG 3.55Å; G568-C582 WeakPolarHBondContact O-CB 3.42Å; G568-C582 PolarHBondContact O-N 2.96Å
569	T	82.9	Confident	80.7	Confident	22 Å²	22	53.7 Å²	53.7	14%	0.135	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	152.4	170.5	67.4	0	0	0	0	110.8	P566 A567 C579 E580	P566-T569 WeakPolarHBondContact CD-OG1 3.45Å; P566-T569 HydrophobicContact CG-CG2 4.22Å; P566-T569 WeakPolarHBondContact CG-OG1 3.49Å; P566-T569 PolarHBondContact O-N 2.81Å; P566-T569 PolarHBondContact O-OG1 2.96Å; A567-T569 VanDerWaalsContact C-N 3.34Å; T569-C579 HydrophobicContact CG2-CB 4.49Å; T569-C579 WeakPolarHBondContact OG1-CB 3.17Å; T569-E580 CarbonylContact C-O 3.58Å; T569-E580 WeakPolarHBondContact CA-O 3.49Å; T569-E580 WeakPolarHBondContact CB-O 3.12Å
570	Y	83.8	Confident	81.1	Confident	15 Å²	15	52.5 Å²	52.5	6%	0.059	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	162.1	177.5	73.4	-84.3	0	0	0	111.5	E580 A596 M599 C602	Y570-E580 HydrophobicContact CD1-CB 4.34Å; Y570-E580 HydrophobicContact CE1-CB 3.9Å; Y570-E580 HydrophobicContact CE2-CB 4.37Å; Y570-E580 PolarHBondContact N-O 2.93Å; Y570-E580 PolarHBondContact O-N 2.95Å; Y570-E580 PolarHBondContact OH-OE2 2.79Å; Y570-A596 VanDerWaalsContact CA-O 3.25Å; Y570-A596 WeakPolarHBondContact CA-O 3.05Å; Y570-A596 WeakPolarHBondContact CB-O 3.06Å; Y570-M599 HydrophobicContact CD1-SD 3.94Å; Y570-M599 HydrophobicContact CE1-CE 4.09Å; Y570-M599 HydrophobicContact CE1-SD 3.38Å; Y570-M599 WeakPolarHBondContact CE1-SD 3.26Å; Y570-M599 HydrophobicContact CE2-CB 4.35Å; Y570-C602 WeakPolarHBondContact CD1-SG 2.93Å
571	Q	84.3	Confident	81.6	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.009	32%	0.316	C	S	.	.			trans	-145.5	119.2	172.5	179.3	49.7	-94.1	0	0	110.1	A551 G552 C565 E573 Q576 S578 A596 R597	A551-Q571 CarbonylContact C-O 3.5Å; G552-Q571 PolarHBondContact N-O 3.35Å; C565-Q571 WeakPolarHBondContact SG-CB 3.11Å; Q571-E573 PolarHBondContact OE1-O 2.89Å; Q571-Q576 HydrophobicContact CG-CB 3.84Å; Q571-Q576 HydrophobicContact CG-CG 4.24Å; Q571-Q576 VanDerWaalsContact NE2-CG 3.32Å; Q571-S578 PolarHBondContact NE2-O 3.05Å; Q571-A596 PolarHBondContact N-O 3.49Å; Q571-R597 CarbonylContact C-O 3.55Å; Q571-R597 CarbonylContact O-C 3.59Å; Q571-R597 VanDerWaalsContact O-C 3.3Å; Q571-R597 WeakPolarHBondContact O-CA 3.4Å
572	D	81.5	Confident	81.3	Confident	66 Å²	66	51.8 Å²	51.8	35%	0.353	30%	0.298	S	S	.	.			trans	-103	-11.9	-175.5	63.1	-30	0	0	0	115.2	R597	D572-R597 WeakPolarHBondContact CA-O 3.43Å
573	E	80.2	Confident	80.6	Confident	71 Å²	71	51 Å²	51	33%	0.332	29%	0.293	S	S	.	.	S	Bend	trans	-113.1	148.9	180	-63.8	-66.6	151.9	0	0	112.4	K259 Q571 Q576	K259-E573 IonicContact NZ-OE1 3.19Å; K259-E573 PolarHBondContact NZ-OE1 2.75Å; Q571-E573 PolarHBondContact OE1-O 2.89Å; E573-Q576 HydrophobicContact CB-CG 3.77Å; E573-Q576 WeakPolarHBondContact O-CG 3.44Å
574	E	81.1	Confident	79.6	Confident	140 Å²	140	52.8 Å²	52.8	65%	0.654	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	146.4	178.4	-63.3	-171.2	170.6	0	0	112.3	C549 Q576	C549-E574 CarbonylContact O-C 3.49Å; C549-E574 VanDerWaalsContact O-CA 3.24Å; C549-E574 WeakPolarHBondContact O-CA 3.26Å; E574-Q576 VanDerWaalsContact C-N 3.27Å; E574-Q576 PolarHBondContact O-N 3.17Å
575	G	74.6	Confident	78.4	Confident	22 Å²	22	50.6 Å²	50.6	23%	0.227	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	16.6	174.3	0	0	0	0	0	114.8	G538 C549	G538-G575 WeakPolarHBondContact CA-O 3.36Å; G538-G575 VanDerWaalsContact O-CA 3.3Å; G538-G575 WeakPolarHBondContact O-CA 3.44Å; C549-G575 PolarHBondContact O-N 3.27Å
576	Q	75.1	Confident	77.1	Confident	72 Å²	72	60 Å²	60	34%	0.336	34%	0.335	S	S	.	.			trans	-73.9	150.4	-179.1	-75.2	-86.8	15.3	0	0	113.2	Y554 Y555 Q571 E573 E574	Y554-Q576 WeakPolarHBondContact CA-O 3.46Å; Y555-Q576 PolarHBondContact N-O 3.2Å; Q571-Q576 HydrophobicContact CG-CB 3.84Å; Q571-Q576 HydrophobicContact CG-CG 4.24Å; Q571-Q576 VanDerWaalsContact NE2-CG 3.32Å; E573-Q576 HydrophobicContact CB-CG 3.77Å; E573-Q576 WeakPolarHBondContact O-CG 3.44Å; E574-Q576 VanDerWaalsContact C-N 3.27Å; E574-Q576 PolarHBondContact O-N 3.17Å
577	M	77.4	Confident	75.7	Confident	100 Å²	100	60.9 Å²	60.9	49%	0.493	36%	0.357	S	S	.	.	S	Bend	trans	-98.9	-9.3	-172.7	-58.2	-76.3	-67.4	0	0	112.8	A537 Y555	A537-M577 HydrophobicContact CB-CE 3.97Å; A537-M577 HydrophobicContact CB-SD 3.96Å; Y555-M577 HydrophobicContact CD1-CE 4.16Å; Y555-M577 HydrophobicContact CD1-SD 3.86Å; Y555-M577 HydrophobicContact CG-SD 4.42Å
578	S	81.6	Confident	74.7	Confident	73 Å²	73	64.7 Å²	64.7	51%	0.51	36%	0.36	S	S	.	.	S	Bend	trans	-155.6	154.6	-179	55.5	0	0	0	0	110.9	Q571	Q571-S578 PolarHBondContact NE2-O 3.05Å
579	C	82.3	Confident	73.9	Confident	26 Å²	26	72.9 Å²	72.9	18%	0.176	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-93.2	146.6	173.1	-54.4	0	0	0	0	111.3	Y554 C565 T569	Y554-C579 WeakPolarHBondContact CD1-SG 3.03Å; C565-C579 WeakPolarHBondContact CA-SG 3.31Å; C565-C579 HydrophobicContact CB-CB 3.83Å; C565-C579 WeakPolarHBondContact CB-SG 3.3Å; C565-C579 WeakPolarHBondContact SG-CB 3.41Å; C565-C579 CovalentContact SG-SG 2.04Å; C565-C579 PolarHBondContact SG-SG 3.02Å; T569-C579 HydrophobicContact CG2-CB 4.49Å; T569-C579 WeakPolarHBondContact OG1-CB 3.17Å
580	E	79.2	Confident	72.6	Confident	88 Å²	88	75.2 Å²	75.2	41%	0.411	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	151.5	174.2	-62.9	-167	163.9	0	0	110.9	T569 Y570	T569-E580 CarbonylContact C-O 3.58Å; T569-E580 WeakPolarHBondContact CA-O 3.49Å; T569-E580 WeakPolarHBondContact CB-O 3.12Å; Y570-E580 HydrophobicContact CD1-CB 4.34Å; Y570-E580 HydrophobicContact CE1-CB 3.9Å; Y570-E580 HydrophobicContact CE2-CB 4.37Å; Y570-E580 PolarHBondContact N-O 2.93Å; Y570-E580 PolarHBondContact O-N 2.95Å; Y570-E580 PolarHBondContact OH-OE2 2.79Å
581	V	80.7	Confident	71.4	Confident	112 Å²	112	76.2 Å²	76.2	68%	0.679	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	132.2	-177.6	-175.1	0	0	0	0	110.5
582	C	76.7	Confident	70.5	Confident	5 Å²	5	84.7 Å²	84.7	3%	0.034	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-64.6	144.1	173.4	-71.9	0	0	0	0	110.8	G568 T584 C602	G568-C582 VanDerWaalsContact C-SG 3.55Å; G568-C582 WeakPolarHBondContact O-CB 3.42Å; G568-C582 PolarHBondContact O-N 2.96Å; C582-T584 PolarHBondContact O-N 3.47Å; C582-C602 HydrophobicContact CB-CB 3.65Å; C582-C602 WeakPolarHBondContact CB-SG 3.23Å; C582-C602 WeakPolarHBondContact SG-CB 2.88Å; C582-C602 CovalentContact SG-SG 2.05Å; C582-C602 PolarHBondContact SG-SG 3.24Å
583	P	70.4	Confident	70	Confident	18 Å²	18	84.1 Å²	84.1	12%	0.117	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-75.6	120.5	-175.2	34.9	-36.6	0	0	0	108.2	W305 M599 F616	W305-P583 HydrophobicContact CB-CB 3.92Å; W305-P583 HydrophobicContact CD2-CB 3.64Å; W305-P583 HydrophobicContact CD2-CG 3.9Å; W305-P583 HydrophobicContact CE3-CB 3.79Å; W305-P583 HydrophobicContact CE3-CG 3.63Å; W305-P583 HydrophobicContact CG-CB 3.71Å; W305-P583 HydrophobicContact CG-CG 4.48Å; W305-P583 HydrophobicContact CH2-CG 4.46Å; W305-P583 HydrophobicContact CZ3-CG 3.93Å; P583-M599 HydrophobicContact CB-CE 3.86Å; P583-M599 WeakPolarHBondContact CD-SD 3.49Å; P583-M599 HydrophobicContact CG-CE 3.32Å; P583-M599 HydrophobicContact CG-SD 3.72Å; P583-F616 HydrophobicContact CB-CZ 3.99Å; P583-F616 HydrophobicContact CG-CE1 4.26Å; P583-F616 HydrophobicContact CG-CZ 4.1Å; P583-F616 WeakPolarHBondContact O-CE1 3.49Å; P583-F616 WeakPolarHBondContact O-CZ 3.44Å
584	T	66.8	Low	69.9	Low	68 Å²	68	86.5 Å²	86.5	42%	0.417	47%	0.468	S	S	.	.			trans	-117.3	128.8	178.4	49.2	0	0	0	0	110.4	C582 V590	C582-T584 PolarHBondContact O-N 3.47Å; T584-V590 HydrophobicContact CG2-CB 4.45Å; T584-V590 HydrophobicContact CG2-CG1 4.44Å; T584-V590 HydrophobicContact CG2-CG2 4.08Å
585	P	62.7	Low	69.7	Low	34 Å²	34	80.7 Å²	80.7	22%	0.221	45%	0.445	C	S	.	.			trans	-63.5	144.7	167.3	3.8	3.6	0	0	0	110.3	G587 R588 F616	P585-G587 PolarHBondContact O-N 2.86Å; P585-G587 VanDerWaalsContact O-N 3.1Å; P585-R588 PolarHBondContact O-N 3.4Å; P585-F616 HydrophobicContact CB-CD2 4.43Å; P585-F616 HydrophobicContact CG-CB 4.42Å; P585-F616 HydrophobicContact CG-CD1 4.41Å; P585-F616 HydrophobicContact CG-CD2 3.74Å; P585-F616 HydrophobicContact CG-CE2 3.98Å; P585-F616 HydrophobicContact CG-CG 3.97Å; P585-F616 HydrophobicContact CG-CZ 4.45Å
586	E	57.4	Low	70.1	Confident	199 Å²	199	79.6 Å²	79.6	93%	0.93	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	115.7	174.8	-70.5	174.4	178.9	0	0	109.7
587	G	55.3	Low	70.3	Confident	86 Å²	86	83 Å²	83	89%	0.887	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.8	11	174.2	0	0	0	0	0	117.5	P585	P585-G587 PolarHBondContact O-N 2.86Å; P585-G587 VanDerWaalsContact O-N 3.1Å
588	R	60.9	Low	70.2	Confident	133 Å²	133	80.6 Å²	80.6	50%	0.502	43%	0.433	S	S	.	.	S	Bend	trans	-118.5	149.5	172.6	-68.5	-167.3	-175.8	-179.4	8.6	113.5	P585 V590 V617	P585-R588 PolarHBondContact O-N 3.4Å; R588-V590 PolarHBondContact O-N 2.99Å; R588-V617 PolarHBondContact NH1-O 2.04Å; R588-V617 PolarHBondContact NH2-O 3.38Å
589	E	56.4	Low	69.7	Low	179 Å²	179	79.3 Å²	79.3	84%	0.836	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-61	134	178.4	-67.9	-169.8	171.4	0	0	111.4
590	V	56.8	Low	69.2	Low	71 Å²	71	81 Å²	81	43%	0.43	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-58.1	127.4	173.8	-176.6	0	0	0	0	108.6	T584 R588 K592	T584-V590 HydrophobicContact CG2-CB 4.45Å; T584-V590 HydrophobicContact CG2-CG1 4.44Å; T584-V590 HydrophobicContact CG2-CG2 4.08Å; R588-V590 PolarHBondContact O-N 2.99Å; V590-K592 PolarHBondContact O-N 2.73Å
591	P	59	Low	69	Low	36 Å²	36	80.5 Å²	80.5	23%	0.234	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-56.9	125.1	171.8	-20.5	30.5	0	0	0	109.9	V593 C602 G603	P591-V593 HydrophobicContact CB-CG2 4.28Å; P591-V593 PolarHBondContact O-N 3.28Å; P591-C602 WeakPolarHBondContact CB-O 3.34Å; P591-C602 WeakPolarHBondContact CG-O 3.24Å; P591-G603 VanDerWaalsContact CG-O 3.31Å; P591-G603 WeakPolarHBondContact CG-O 3.49Å
592	K	64.3	Low	68.7	Low	179 Å²	179	75.3 Å²	75.3	78%	0.778	40%	0.398	S	S	*	.			trans	-78.1	49.6	-178.2	-65.1	179.4	-178.3	171.9	0	111.9	V590	V590-K592 PolarHBondContact O-N 2.73Å
593	V	70.5	Confident	68.3	Low	54 Å²	54	76.2 Å²	76.2	33%	0.327	41%	0.409	S	S	.	.			trans	-91	117.1	175.5	-171.6	0	0	0	0	108.4	A567 P591 A596 E601	A567-V593 WeakPolarHBondContact CA-O 3.33Å; P591-V593 HydrophobicContact CB-CG2 4.28Å; P591-V593 PolarHBondContact O-N 3.28Å; V593-A596 HydrophobicContact CG1-CB 4.23Å; V593-E601 WeakPolarHBondContact CG1-O 3.44Å
594	I	78.1	Confident	68.5	Low	121 Å²	121	77.2 Å²	77.2	62%	0.621	42%	0.422	S	S	*	.	S	Bend	trans	-96.5	133.7	177.1	-59.7	169.9	0	0	0	107.5	A567	A567-I594 HydrophobicContact CB-CG1 4.16Å
595	G	78.6	Confident	69.2	Low	18 Å²	18	74.9 Å²	74.9	19%	0.186	41%	0.407	C	S	.	.	S	Bend	trans	73.8	30.2	177.5	0	0	0	0	0	114.9	C565 R597	C565-G595 PolarHBondContact O-N 3.42Å; G595-R597 PolarHBondContact O-N 3.33Å
596	A	81.6	Confident	70.3	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	40%	0.396	C	S	.	.	B	Isolated β-bridge	trans	-58.3	124.8	176.7	0	0	0	0	0	110.9	G552 Y570 Q571 V593 E601	G552-A596 WeakPolarHBondContact CA-O 3.44Å; Y570-A596 VanDerWaalsContact CA-O 3.25Å; Y570-A596 WeakPolarHBondContact CA-O 3.05Å; Y570-A596 WeakPolarHBondContact CB-O 3.06Å; Q571-A596 PolarHBondContact N-O 3.49Å; V593-A596 HydrophobicContact CG1-CB 4.23Å; A596-E601 HydrophobicContact CB-CB 4.06Å
597	R	80.8	Confident	71.8	Confident	142 Å²	142	66.5 Å²	66.5	54%	0.536	37%	0.37	S	S	.	.			trans	-90.1	-12.8	-176	-59.2	-176.5	148.1	155.6	-2.2	113.9	A551 Q571 D572 G595 E601	A551-R597 HydrophobicContact CB-CB 4.23Å; A551-R597 WeakPolarHBondContact O-CG 3.36Å; A551-R597 PolarHBondContact O-NE 2.85Å; Q571-R597 CarbonylContact C-O 3.55Å; Q571-R597 CarbonylContact O-C 3.59Å; Q571-R597 VanDerWaalsContact O-C 3.3Å; Q571-R597 WeakPolarHBondContact O-CA 3.4Å; D572-R597 WeakPolarHBondContact CA-O 3.43Å; G595-R597 PolarHBondContact O-N 3.33Å; R597-E601 VanDerWaalsContact CB-OE2 3.32Å; R597-E601 WeakPolarHBondContact CB-OE2 3.38Å; R597-E601 PolarHBondContact N-OE2 3.15Å
598	N	73.9	Confident	73.5	Confident	50 Å²	50	65.2 Å²	65.2	27%	0.267	35%	0.345	S	S	.	.	S	Bend	trans	-157.4	169	178.9	58.1	41.4	0	0	0	108.8	S600 E601	N598-S600 PolarHBondContact O-N 2.86Å; N598-S600 PolarHBondContact OD1-N 2.85Å; N598-S600 PolarHBondContact OD1-OG 2.87Å; N598-E601 PolarHBondContact ND2-OE1 2.8Å; N598-E601 VanDerWaalsContact ND2-OE1 3.1Å; N598-E601 PolarHBondContact O-N 2.8Å; N598-E601 VanDerWaalsContact O-N 3.13Å; N598-E601 WeakPolarHBondContact OD1-CB 3.4Å; N598-E601 WeakPolarHBondContact OD1-CG 3.39Å; N598-E601 PolarHBondContact OD1-N 3.32Å
599	M	71.4	Confident	74.9	Confident	46 Å²	46	58.9 Å²	58.9	23%	0.227	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-60.6	-32.1	179.7	-170.9	58.4	136.9	0	0	113.6	W305 Y570 P583 E601 C602	W305-M599 HydrophobicContact CE3-CE 3.62Å; W305-M599 HydrophobicContact CZ3-CE 3.94Å; W305-M599 HydrophobicContact CZ3-CG 4.14Å; Y570-M599 HydrophobicContact CD1-SD 3.94Å; Y570-M599 HydrophobicContact CE1-CE 4.09Å; Y570-M599 HydrophobicContact CE1-SD 3.38Å; Y570-M599 WeakPolarHBondContact CE1-SD 3.26Å; Y570-M599 HydrophobicContact CE2-CB 4.35Å; P583-M599 HydrophobicContact CB-CE 3.86Å; P583-M599 WeakPolarHBondContact CD-SD 3.49Å; P583-M599 HydrophobicContact CG-CE 3.32Å; P583-M599 HydrophobicContact CG-SD 3.72Å; M599-E601 VanDerWaalsContact C-N 3.29Å; M599-E601 PolarHBondContact O-N 2.65Å; M599-C602 WeakPolarHBondContact O-CB 2.94Å; M599-C602 PolarHBondContact O-N 3.35Å
600	S	72.7	Confident	76.6	Confident	62 Å²	62	53.6 Å²	53.6	43%	0.434	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-69.5	-25.4	177.6	39.4	0	0	0	0	113.6	N598 C602	N598-S600 PolarHBondContact O-N 2.86Å; N598-S600 PolarHBondContact OD1-N 2.85Å; N598-S600 PolarHBondContact OD1-OG 2.87Å; S600-C602 VanDerWaalsContact C-N 3.3Å
601	E	74.6	Confident	78.2	Confident	78 Å²	78	53.3 Å²	53.3	36%	0.364	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-81.2	-11.3	177.9	-75.8	169.7	-148.5	0	0	112.5	V593 A596 R597 N598 M599 G603	V593-E601 WeakPolarHBondContact CG1-O 3.44Å; A596-E601 HydrophobicContact CB-CB 4.06Å; R597-E601 VanDerWaalsContact CB-OE2 3.32Å; R597-E601 WeakPolarHBondContact CB-OE2 3.38Å; R597-E601 PolarHBondContact N-OE2 3.15Å; N598-E601 PolarHBondContact ND2-OE1 2.8Å; N598-E601 VanDerWaalsContact ND2-OE1 3.1Å; N598-E601 PolarHBondContact O-N 2.8Å; N598-E601 VanDerWaalsContact O-N 3.13Å; N598-E601 WeakPolarHBondContact OD1-CB 3.4Å; N598-E601 WeakPolarHBondContact OD1-CG 3.39Å; N598-E601 PolarHBondContact OD1-N 3.32Å; M599-E601 VanDerWaalsContact C-N 3.29Å; M599-E601 PolarHBondContact O-N 2.65Å; E601-G603 PolarHBondContact O-N 3.09Å
602	C	73.6	Confident	79.6	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.014	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-61.7	-23	174.1	-76.7	0	0	0	0	112.8	Y570 C582 P591 M599 S600	Y570-C602 WeakPolarHBondContact CD1-SG 2.93Å; C582-C602 HydrophobicContact CB-CB 3.65Å; C582-C602 WeakPolarHBondContact CB-SG 3.23Å; C582-C602 WeakPolarHBondContact SG-CB 2.88Å; C582-C602 CovalentContact SG-SG 2.05Å; C582-C602 PolarHBondContact SG-SG 3.24Å; P591-C602 WeakPolarHBondContact CB-O 3.34Å; P591-C602 WeakPolarHBondContact CG-O 3.24Å; M599-C602 WeakPolarHBondContact O-CB 2.94Å; M599-C602 PolarHBondContact O-N 3.35Å; S600-C602 VanDerWaalsContact C-N 3.3Å
603	G	69.6	Low	80.4	Confident	25 Å²	25	51.6 Å²	51.6	26%	0.258	29%	0.286	S	S	.	.	S	Bend	trans	75.4	153	176.6	0	0	0	0	0	114.5	P591 E601 Q605	P591-G603 VanDerWaalsContact CG-O 3.31Å; P591-G603 WeakPolarHBondContact CG-O 3.49Å; E601-G603 PolarHBondContact O-N 3.09Å; G603-Q605 VanDerWaalsContact N-OE1 3.1Å; G603-Q605 PolarHBondContact O-NE2 3.04Å; G603-Q605 PolarHBondContact O-OE1 2.87Å; G603-Q605 VanDerWaalsContact O-OE1 3.12Å
604	G	74.3	Confident	80.7	Confident	39 Å²	39	51.3 Å²	51.3	40%	0.402	28%	0.283	S	S	.	.	S	Bend	trans	90.3	-11.4	-179.8	0	0	0	0	0	115.2	F616 V617	G604-F616 CarbonylContact O-C 3.42Å; G604-F616 VanDerWaalsContact O-CA 3.24Å; G604-F616 WeakPolarHBondContact O-CA 3.22Å; G604-F616 WeakPolarHBondContact O-CB 3.35Å; G604-F616 WeakPolarHBondContact O-CD1 3.36Å; G604-V617 WeakPolarHBondContact O-CG2 3.36Å; G604-V617 PolarHBondContact O-N 3.41Å
605	Q	80.4	Confident	80.8	Confident	19 Å²	19	45.6 Å²	45.6	9%	0.089	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-78	155.9	174.2	-55.7	75	21.6	0	0	111.4	W305 G603 F616	W305-Q605 HydrophobicContact CH2-CB 4.21Å; W305-Q605 HydrophobicContact CH2-CG 3.39Å; W305-Q605 HydrophobicContact CZ2-CG 3.88Å; W305-Q605 HydrophobicContact CZ3-CG 4.24Å; G603-Q605 VanDerWaalsContact N-OE1 3.1Å; G603-Q605 PolarHBondContact O-NE2 3.04Å; G603-Q605 PolarHBondContact O-OE1 2.87Å; G603-Q605 VanDerWaalsContact O-OE1 3.12Å; Q605-F616 HydrophobicContact CG-CD1 4.24Å; Q605-F616 HydrophobicContact CG-CE1 3.99Å
606	C	86.6	Confident	80.9	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-69.5	132.9	172.1	-63.6	0	0	0	0	112.4	Q610 G615 C619 V631 G632	C606-Q610 HydrophobicContact CB-CB 4.3Å; C606-G615 PolarHBondContact N-O 2.67Å; C606-C619 WeakPolarHBondContact CA-SG 3.29Å; C606-C619 HydrophobicContact CB-CB 3.79Å; C606-C619 WeakPolarHBondContact CB-SG 3.26Å; C606-C619 WeakPolarHBondContact SG-CB 3.42Å; C606-C619 CovalentContact SG-SG 2.03Å; C606-C619 PolarHBondContact SG-SG 2.81Å; C606-V631 CarbonylContact O-C 3.51Å; C606-V631 WeakPolarHBondContact O-CA 3.41Å; C606-G632 PolarHBondContact O-N 3.45Å
607	P	88.4	Confident	80.8	Confident	57 Å²	57	48.6 Å²	48.6	37%	0.37	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-70.2	166.3	175.2	31.3	-35.5	0	0	0	111.1	Q610	P607-Q610 HydrophobicContact CG-CB 4.36Å; P607-Q610 HydrophobicContact CG-CG 4.09Å; P607-Q610 PolarHBondContact O-N 3.08Å; P607-Q610 VanDerWaalsContact O-N 3.1Å
608	P	90.9	Very high	81	Confident	58 Å²	58	46.3 Å²	46.3	38%	0.377	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	144.7	175	-23.5	37.1	0	0	0	111.1	Q610 Q628 V631 V651	P608-Q610 PolarHBondContact O-N 3.1Å; P608-Q628 CarbonylContact C-O 3.53Å; P608-V631 HydrophobicContact CG-CG1 3.99Å; P608-V651 HydrophobicContact CB-CB 4.44Å; P608-V651 HydrophobicContact CB-CG1 3.9Å
609	G	90.6	Very high	81.8	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.01	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	1.8	-174.4	0	0	0	0	0	114	C622 Q628 G649 A650	G609-C622 PolarHBondContact O-N 3.12Å; G609-C622 PolarHBondContact O-SG 3.29Å; G609-Q628 PolarHBondContact N-O 2.81Å; G609-G649 VanDerWaalsContact O-CA 3.23Å; G609-G649 WeakPolarHBondContact O-CA 3.26Å; G609-A650 WeakPolarHBondContact CA-O 3.26Å
610	Q	92.1	Very high	82.8	Confident	67 Å²	67	47.8 Å²	47.8	31%	0.313	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	156.1	175.3	-52.6	-174.5	11	0	0	111.6	C606 P607 P608 C619 L620	C606-Q610 HydrophobicContact CB-CB 4.3Å; P607-Q610 HydrophobicContact CG-CB 4.36Å; P607-Q610 HydrophobicContact CG-CG 4.09Å; P607-Q610 PolarHBondContact O-N 3.08Å; P607-Q610 VanDerWaalsContact O-N 3.1Å; P608-Q610 PolarHBondContact O-N 3.1Å; Q610-C619 HydrophobicContact CB-CB 3.89Å; Q610-L620 CarbonylContact C-O 3.49Å; Q610-L620 WeakPolarHBondContact CA-O 2.96Å; Q610-L620 WeakPolarHBondContact CB-O 3.42Å
611	Y	90.7	Very high	83.8	Confident	65 Å²	65	48.1 Å²	48.1	26%	0.255	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	161.7	179.3	77.5	-72.3	0	0	0	111.2	L620 R633 T634 C636	Y611-L620 HydrophobicContact CD1-CB 4.46Å; Y611-L620 WeakPolarHBondContact CD1-O 3.02Å; Y611-L620 HydrophobicContact CE1-CB 4.1Å; Y611-L620 PolarHBondContact N-O 2.99Å; Y611-L620 PolarHBondContact O-N 2.72Å; Y611-R633 WeakPolarHBondContact CA-O 3.38Å; Y611-T634 WeakPolarHBondContact CD2-O 2.91Å; Y611-C636 WeakPolarHBondContact CD1-SG 3.37Å
612	S	87.6	Confident	84.7	Confident	15 Å²	15	44.4 Å²	44.4	11%	0.105	26%	0.264	C	S	.	.			trans	-147.3	159.9	172.2	176.3	0	0	0	0	109.5	D614 G615 F616 R633 T634	S612-D614 PolarHBondContact O-N 3.49Å; S612-D614 VanDerWaalsContact O-N 3.09Å; S612-D614 PolarHBondContact OG-OD1 2.88Å; S612-G615 PolarHBondContact O-N 2.8Å; S612-F616 WeakPolarHBondContact CB-O 3.44Å; S612-F616 PolarHBondContact OG-O 3.47Å; S612-F616 VanDerWaalsContact OG-O 3.05Å; S612-R633 PolarHBondContact N-O 3.41Å; S612-T634 WeakPolarHBondContact O-CA 3.11Å
613	L	80.8	Confident	85.6	Confident	164 Å²	164	47.3 Å²	47.3	86%	0.859	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-28.4	179.2	-67.5	171.7	0	0	0	113.9
614	D	77.8	Confident	86.8	Confident	49 Å²	49	51.4 Å²	51.4	26%	0.262	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	2.4	178.5	62	-11.8	0	0	0	113	H304 S612 F616	H304-D614 PolarHBondContact CE1-O 3.48Å; H304-D614 VanDerWaalsContact CE1-O 3.25Å; H304-D614 PolarHBondContact NE2-O 2.04Å; H304-D614 VanDerWaalsContact NE2-O 3.14Å; S612-D614 PolarHBondContact O-N 3.49Å; S612-D614 VanDerWaalsContact O-N 3.09Å; S612-D614 PolarHBondContact OG-OD1 2.88Å; D614-F616 HydrophobicContact CB-CD2 4.31Å; D614-F616 WeakPolarHBondContact O-CD2 3.26Å; D614-F616 WeakPolarHBondContact O-CE2 3.31Å; D614-F616 PolarHBondContact O-N 3.31Å; D614-F616 PolarHBondContact OD1-N 3Å; D614-F616 VanDerWaalsContact OD1-N 3.15Å
615	G	79.5	Confident	87.5	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.284	C	S	.	.	S	Bend	trans	72	7.8	-175.9	0	0	0	0	0	114.9	C606 S612 G632	C606-G615 PolarHBondContact N-O 2.67Å; S612-G615 PolarHBondContact O-N 2.8Å; G615-G632 VanDerWaalsContact O-CA 3.31Å; G615-G632 WeakPolarHBondContact O-CA 2.99Å
616	F	81.6	Confident	88.1	Confident	10 Å²	10	49.7 Å²	49.7	4%	0.044	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-116.3	162.9	178.9	-62.9	-84.3	0	0	0	112.4	W305 P583 P585 G604 Q605 S612 D614	W305-F616 AromaticContact CD1-CE2 3.69Å; W305-F616 AromaticContact CD1-CZ 3.89Å; W305-F616 HydrophobicContact CD2-CZ 4.13Å; W305-F616 AromaticContact CE2-CE2 3.61Å; W305-F616 AromaticContact CE2-CZ 3.39Å; W305-F616 HydrophobicContact CG-CZ 4.42Å; W305-F616 AromaticContact CZ2-CE1 3.99Å; W305-F616 HydrophobicContact CZ2-CE1 3.99Å; W305-F616 HydrophobicContact CZ2-CE2 4.05Å; W305-F616 AromaticContact CZ2-CZ 3.68Å; W305-F616 HydrophobicContact CZ2-CZ 3.68Å; W305-F616 AromaticContact NE1-CD2 3.89Å; W305-F616 AromaticContact NE1-CE2 2.96Å; W305-F616 AromaticContact NE1-CZ 3.21Å; P583-F616 HydrophobicContact CB-CZ 3.99Å; P583-F616 HydrophobicContact CG-CE1 4.26Å; P583-F616 HydrophobicContact CG-CZ 4.1Å; P583-F616 WeakPolarHBondContact O-CE1 3.49Å; P583-F616 WeakPolarHBondContact O-CZ 3.44Å; P585-F616 HydrophobicContact CB-CD2 4.43Å; P585-F616 HydrophobicContact CG-CB 4.42Å; P585-F616 HydrophobicContact CG-CD1 4.41Å; P585-F616 HydrophobicContact CG-CD2 3.74Å; P585-F616 HydrophobicContact CG-CE2 3.98Å; P585-F616 HydrophobicContact CG-CG 3.97Å; P585-F616 HydrophobicContact CG-CZ 4.45Å; G604-F616 CarbonylContact O-C 3.42Å; G604-F616 VanDerWaalsContact O-CA 3.24Å; G604-F616 WeakPolarHBondContact O-CA 3.22Å; G604-F616 WeakPolarHBondContact O-CB 3.35Å; G604-F616 WeakPolarHBondContact O-CD1 3.36Å; Q605-F616 HydrophobicContact CG-CD1 4.24Å; Q605-F616 HydrophobicContact CG-CE1 3.99Å; S612-F616 WeakPolarHBondContact CB-O 3.44Å; S612-F616 PolarHBondContact OG-O 3.47Å; S612-F616 VanDerWaalsContact OG-O 3.05Å; D614-F616 HydrophobicContact CB-CD2 4.31Å; D614-F616 WeakPolarHBondContact O-CD2 3.26Å; D614-F616 WeakPolarHBondContact O-CE2 3.31Å; D614-F616 PolarHBondContact O-N 3.31Å; D614-F616 PolarHBondContact OD1-N 3Å; D614-F616 VanDerWaalsContact OD1-N 3.15Å
617	V	78.4	Confident	88.4	Confident	72 Å²	72	50.5 Å²	50.5	44%	0.436	29%	0.287	S	S	.	.	S	Bend	trans	-55.3	143.3	175.8	178.3	0	0	0	0	110.1	R588 G604 C619	R588-V617 PolarHBondContact NH1-O 2.04Å; R588-V617 PolarHBondContact NH2-O 3.38Å; G604-V617 WeakPolarHBondContact O-CG2 3.36Å; G604-V617 PolarHBondContact O-N 3.41Å; V617-C619 VanDerWaalsContact CA-SG 3.55Å
618	P	85.9	Confident	88.5	Confident	93 Å²	93	47.9 Å²	47.9	60%	0.604	27%	0.269	S	S	*	.	S	Bend	cis	-74.9	126.7	2.5	31.2	-33.5	0	0	0	112.2
619	C	89.7	Confident	88.4	Confident	25 Å²	25	48.1 Å²	48.1	17%	0.169	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-94.5	146.4	-176.7	-58.1	0	0	0	0	111.1	C606 Q610 V617	C606-C619 WeakPolarHBondContact CA-SG 3.29Å; C606-C619 HydrophobicContact CB-CB 3.79Å; C606-C619 WeakPolarHBondContact CB-SG 3.26Å; C606-C619 WeakPolarHBondContact SG-CB 3.42Å; C606-C619 CovalentContact SG-SG 2.03Å; C606-C619 PolarHBondContact SG-SG 2.81Å; Q610-C619 HydrophobicContact CB-CB 3.89Å; V617-C619 VanDerWaalsContact CA-SG 3.55Å
620	L	92.5	Very high	88.2	Confident	103 Å²	103	51 Å²	51	54%	0.539	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	139.2	174.4	-64.1	172.8	0	0	0	109.5	Q610 Y611	Q610-L620 CarbonylContact C-O 3.49Å; Q610-L620 WeakPolarHBondContact CA-O 2.96Å; Q610-L620 WeakPolarHBondContact CB-O 3.42Å; Y611-L620 HydrophobicContact CD1-CB 4.46Å; Y611-L620 WeakPolarHBondContact CD1-O 3.02Å; Y611-L620 HydrophobicContact CE1-CB 4.1Å; Y611-L620 PolarHBondContact N-O 2.99Å; Y611-L620 PolarHBondContact O-N 2.72Å
621	P	93.9	Very high	87.9	Confident	68 Å²	68	50.5 Å²	50.5	44%	0.442	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	144	174.6	28.4	-33.8	0	0	0	110.6
622	C	93.7	Very high	87.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-57.2	128.1	174.4	-73.6	0	0	0	0	110.2	G609 T626 Q628 C636 S648 G649	G609-C622 PolarHBondContact O-N 3.12Å; G609-C622 PolarHBondContact O-SG 3.29Å; C622-T626 WeakPolarHBondContact CB-OG1 3.3Å; C622-Q628 WeakPolarHBondContact SG-CB 3.25Å; C622-C636 WeakPolarHBondContact CA-SG 3.44Å; C622-C636 HydrophobicContact CB-CB 3.89Å; C622-C636 WeakPolarHBondContact CB-SG 3.38Å; C622-C636 WeakPolarHBondContact SG-CB 3.41Å; C622-C636 CovalentContact SG-SG 2.04Å; C622-C636 PolarHBondContact SG-SG 2.88Å; C622-S648 CarbonylContact O-C 3.58Å; C622-S648 WeakPolarHBondContact O-CA 3.28Å; C622-G649 PolarHBondContact O-N 3.3Å
623	P	93.7	Very high	87.5	Confident	63 Å²	63	46.8 Å²	46.8	41%	0.409	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-63.6	161.8	179.5	25.8	-34.2	0	0	0	112.1	G625 T626	P623-G625 PolarHBondContact O-N 2.78Å; P623-T626 WeakPolarHBondContact CD-OG1 3.39Å; P623-T626 HydrophobicContact CG-CG2 4.08Å; P623-T626 WeakPolarHBondContact CG-OG1 3.35Å; P623-T626 PolarHBondContact O-N 2.88Å; P623-T626 PolarHBondContact O-OG1 2.84Å
624	L	92.8	Very high	87.8	Confident	112 Å²	112	39.7 Å²	39.7	59%	0.586	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	135.1	178.5	-67.7	174.6	0	0	0	111.4	T626 T645 H647	L624-T626 VanDerWaalsContact C-N 3.34Å; L624-T645 WeakPolarHBondContact CA-OG1 3.36Å; L624-H647 VanDerWaalsContact CD2-C 3.42Å
625	G	90.3	Very high	88.2	Confident	9 Å²	9	40.3 Å²	40.3	9%	0.093	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	9.1	-176.1	0	0	0	0	0	114.2	P623 C639 L643 T645	P623-G625 PolarHBondContact O-N 2.78Å; G625-C639 VanDerWaalsContact C-SG 3.6Å; G625-C639 WeakPolarHBondContact O-CB 3.07Å; G625-C639 PolarHBondContact O-N 3.49Å; G625-C639 PolarHBondContact O-SG 2.8Å; G625-C639 VanDerWaalsContact O-SG 3.42Å; G625-L643 WeakPolarHBondContact CA-O 3.41Å; G625-T645 PolarHBondContact N-OG1 3.39Å; G625-T645 VanDerWaalsContact N-OG1 3.09Å
626	T	92.6	Very high	88.8	Confident	13 Å²	13	41.4 Å²	41.4	8%	0.08	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	154.8	172.3	68.5	0	0	0	0	111.5	C622 P623 L624 C636 F637 L638	C622-T626 WeakPolarHBondContact CB-OG1 3.3Å; P623-T626 WeakPolarHBondContact CD-OG1 3.39Å; P623-T626 HydrophobicContact CG-CG2 4.08Å; P623-T626 WeakPolarHBondContact CG-OG1 3.35Å; P623-T626 PolarHBondContact O-N 2.88Å; P623-T626 PolarHBondContact O-OG1 2.84Å; L624-T626 VanDerWaalsContact C-N 3.34Å; T626-C636 HydrophobicContact CG2-CB 4.48Å; T626-F637 CarbonylContact C-O 3.44Å; T626-F637 WeakPolarHBondContact CA-O 3.41Å; T626-F637 VanDerWaalsContact CB-O 3.26Å; T626-F637 WeakPolarHBondContact CB-O 3.01Å; T626-L638 HydrophobicContact CG2-CD2 3.8Å; T626-L638 HydrophobicContact CG2-CG 4.47Å
627	Y	92.3	Very high	89.1	Confident	17 Å²	17	42.7 Å²	42.7	7%	0.067	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	157.2	178.6	69.6	-81.8	0	0	0	111.6	F637 A650 F653	Y627-F637 HydrophobicContact CD1-CB 4.28Å; Y627-F637 HydrophobicContact CE1-CB 3.87Å; Y627-F637 HydrophobicContact CE2-CB 4.19Å; Y627-F637 PolarHBondContact N-O 3.45Å; Y627-F637 WeakPolarHBondContact O-CB 3.45Å; Y627-F637 PolarHBondContact O-N 2.7Å; Y627-A650 CarbonylContact C-O 3.56Å; Y627-A650 WeakPolarHBondContact CA-O 3.43Å; Y627-A650 WeakPolarHBondContact CB-O 3.26Å; Y627-F653 HydrophobicContact CE1-CB 4.16Å; Y627-F653 AromaticContact CE1-CD2 3.98Å; Y627-F653 HydrophobicContact CE1-CD2 3.98Å; Y627-F653 HydrophobicContact CE2-CB 4.24Å
628	Q	91.8	Very high	89.6	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	26%	0.264	C	S	.	.			trans	-145.8	106.7	177.6	-179.3	50.5	-96.7	0	0	111.3	P608 G609 C622 E630 R633 T635 C636 A650 V651	P608-Q628 CarbonylContact C-O 3.53Å; G609-Q628 PolarHBondContact N-O 2.81Å; C622-Q628 WeakPolarHBondContact SG-CB 3.25Å; Q628-E630 WeakPolarHBondContact CG-O 3.47Å; Q628-R633 VanDerWaalsContact CD-CG 3.42Å; Q628-R633 HydrophobicContact CG-CB 3.87Å; Q628-R633 HydrophobicContact CG-CG 4.08Å; Q628-T635 PolarHBondContact NE2-O 2.95Å; Q628-C636 HydrophobicContact CB-CB 4.47Å; Q628-A650 PolarHBondContact N-O 2.77Å; Q628-V651 CarbonylContact C-O 3.6Å
629	P	88.6	Confident	89.7	Confident	63 Å²	63	41.3 Å²	41.3	41%	0.409	24%	0.235	S	C	.	.			trans	-79.5	-24.9	-179.9	28.4	-33.2	0	0	0	114	V651	P629-V651 WeakPolarHBondContact CA-O 3.36Å; P629-V651 VanDerWaalsContact CB-O 3.27Å; P629-V651 WeakPolarHBondContact CB-O 3.23Å
630	E	86.6	Confident	89.5	Confident	63 Å²	63	41.5 Å²	41.5	29%	0.294	24%	0.242	S	C	.	.	S	Bend	trans	-98.2	152	-171.5	-65.9	-179.7	-151.1	0	0	112.3	K308 Q628 R633	K308-E630 IonicContact NZ-OE1 3.13Å; K308-E630 PolarHBondContact NZ-OE1 3.01Å; K308-E630 IonicContact NZ-OE2 3.22Å; Q628-E630 WeakPolarHBondContact CG-O 3.47Å; E630-R633 HydrophobicContact CB-CG 3.89Å; E630-R633 IonicContact OE1-NH2 3.42Å; E630-R633 PolarHBondContact OE1-NH2 2.85Å; E630-R633 IonicContact OE2-CZ 3.83Å; E630-R633 IonicContact OE2-NE 2.74Å; E630-R633 PolarHBondContact OE2-NE 2.81Å; E630-R633 IonicContact OE2-NH2 3.04Å; E630-R633 PolarHBondContact OE2-NH2 3.02Å
631	V	85.8	Confident	88.9	Confident	56 Å²	56	38 Å²	38	34%	0.339	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	150.1	176.7	-64.2	0	0	0	0	112	C606 P608 R633	C606-V631 CarbonylContact O-C 3.51Å; C606-V631 WeakPolarHBondContact O-CA 3.41Å; P608-V631 HydrophobicContact CG-CG1 3.99Å; V631-R633 VanDerWaalsContact C-N 3.32Å; V631-R633 PolarHBondContact O-N 2.02Å
632	G	83.2	Confident	88.5	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	31.4	168.2	0	0	0	0	0	115.1	N306 C606 G615	N306-G632 PolarHBondContact ND2-O 3.02Å; C606-G632 PolarHBondContact O-N 3.45Å; G615-G632 VanDerWaalsContact O-CA 3.31Å; G615-G632 WeakPolarHBondContact O-CA 2.99Å
633	R	86.9	Confident	88.2	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.008	26%	0.256	C	S	.	.			trans	-88.3	148.5	-178.9	-69	-68.7	-146.9	135.4	6.7	112	G281 K308 D309 Y611 S612 Q628 E630 V631	G281-R633 PolarHBondContact O-NH1 3.06Å; G281-R633 PolarHBondContact O-NH2 3.34Å; K308-R633 VanDerWaalsContact CB-NH1 3.26Å; D309-R633 IonicContact OD1-CZ 3.18Å; D309-R633 IonicContact OD1-NH1 3.09Å; D309-R633 PolarHBondContact OD1-NH1 2.75Å; D309-R633 WeakPolarHBondContact OD2-CA 3.09Å; D309-R633 WeakPolarHBondContact OD2-CD 3.5Å; Y611-R633 WeakPolarHBondContact CA-O 3.38Å; S612-R633 PolarHBondContact N-O 3.41Å; Q628-R633 VanDerWaalsContact CD-CG 3.42Å; Q628-R633 HydrophobicContact CG-CB 3.87Å; Q628-R633 HydrophobicContact CG-CG 4.08Å; E630-R633 HydrophobicContact CB-CG 3.89Å; E630-R633 IonicContact OE1-NH2 3.42Å; E630-R633 PolarHBondContact OE1-NH2 2.85Å; E630-R633 IonicContact OE2-CZ 3.83Å; E630-R633 IonicContact OE2-NE 2.74Å; E630-R633 PolarHBondContact OE2-NE 2.81Å; E630-R633 IonicContact OE2-NH2 3.04Å; E630-R633 PolarHBondContact OE2-NH2 3.02Å; V631-R633 VanDerWaalsContact C-N 3.32Å; V631-R633 PolarHBondContact O-N 2.02Å
634	T	85.9	Confident	88.1	Confident	14 Å²	14	44.1 Å²	44.1	9%	0.086	26%	0.258	C	S	.	.	S	Bend	trans	-89.6	-13.7	-179.1	63.3	0	0	0	0	114	D309 Y611 S612	D309-T634 HydrophobicContact CB-CG2 4.18Å; D309-T634 WeakPolarHBondContact CB-OG1 3.41Å; D309-T634 VanDerWaalsContact CG-OG1 3.31Å; D309-T634 PolarHBondContact OD2-N 3.06Å; D309-T634 PolarHBondContact OD2-OG1 3.3Å; Y611-T634 WeakPolarHBondContact CD2-O 2.91Å; S612-T634 WeakPolarHBondContact O-CA 3.11Å
635	T	87.6	Confident	88.1	Confident	62 Å²	62	39 Å²	39	38%	0.38	23%	0.232	S	C	.	.	S	Bend	trans	-145.3	164.7	-177.6	60.8	0	0	0	0	111	Q628	Q628-T635 PolarHBondContact NE2-O 2.95Å
636	C	90.5	Very high	87.8	Confident	23 Å²	23	45.9 Å²	45.9	16%	0.155	26%	0.259	C	S	.	.			trans	-107.1	145.3	172.4	-55.7	0	0	0	0	110.4	Y611 C622 T626 Q628	Y611-C636 WeakPolarHBondContact CD1-SG 3.37Å; C622-C636 WeakPolarHBondContact CA-SG 3.44Å; C622-C636 HydrophobicContact CB-CB 3.89Å; C622-C636 WeakPolarHBondContact CB-SG 3.38Å; C622-C636 WeakPolarHBondContact SG-CB 3.41Å; C622-C636 CovalentContact SG-SG 2.04Å; C622-C636 PolarHBondContact SG-SG 2.88Å; T626-C636 HydrophobicContact CG2-CB 4.48Å; Q628-C636 HydrophobicContact CB-CB 4.47Å
637	F	88.2	Confident	87.7	Confident	37 Å²	37	50.1 Å²	50.1	16%	0.162	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	139.4	173.9	-64.1	-75.4	0	0	0	110.6	N278 T626 Y627	N278-F637 WeakPolarHBondContact ND2-CE1 3.07Å; T626-F637 CarbonylContact C-O 3.44Å; T626-F637 WeakPolarHBondContact CA-O 3.41Å; T626-F637 VanDerWaalsContact CB-O 3.26Å; T626-F637 WeakPolarHBondContact CB-O 3.01Å; Y627-F637 HydrophobicContact CD1-CB 4.28Å; Y627-F637 HydrophobicContact CE1-CB 3.87Å; Y627-F637 HydrophobicContact CE2-CB 4.19Å; Y627-F637 PolarHBondContact N-O 3.45Å; Y627-F637 WeakPolarHBondContact O-CB 3.45Å; Y627-F637 PolarHBondContact O-N 2.7Å
638	L	88.9	Confident	87.6	Confident	135 Å²	135	52.8 Å²	52.8	71%	0.707	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	139.2	175.5	-70.3	157.3	0	0	0	110.2	T626 G640	T626-L638 HydrophobicContact CG2-CD2 3.8Å; T626-L638 HydrophobicContact CG2-CG 4.47Å; L638-G640 PolarHBondContact O-N 2.01Å
639	C	88.3	Confident	87.6	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.014	31%	0.307	C	S	.	.			trans	-63.4	-27.9	168.6	-67.8	0	0	0	0	111.8	G625 L643 T645 F653 C656 T670	G625-C639 VanDerWaalsContact C-SG 3.6Å; G625-C639 WeakPolarHBondContact O-CB 3.07Å; G625-C639 PolarHBondContact O-N 3.49Å; G625-C639 PolarHBondContact O-SG 2.8Å; G625-C639 VanDerWaalsContact O-SG 3.42Å; C639-L643 HydrophobicContact CB-CB 3.83Å; C639-T645 VanDerWaalsContact SG-CG2 3.52Å; C639-F653 WeakPolarHBondContact O-CE2 3.29Å; C639-C656 HydrophobicContact CB-CB 3.78Å; C639-C656 WeakPolarHBondContact CB-SG 2.96Å; C639-C656 WeakPolarHBondContact SG-CB 3.45Å; C639-C656 CovalentContact SG-SG 2.04Å; C639-C656 PolarHBondContact SG-SG 2.8Å; C639-T670 WeakPolarHBondContact O-CG2 3.05Å
640	G	84.8	Confident	87.9	Confident	29 Å²	29	50.6 Å²	50.6	30%	0.299	29%	0.288	S	S	.	.			trans	76.2	160.8	-177.7	0	0	0	0	0	113.6	L638 N642 L643	L638-G640 PolarHBondContact O-N 2.01Å; G640-N642 VanDerWaalsContact C-N 3.33Å; G640-N642 PolarHBondContact O-N 3.26Å; G640-L643 WeakPolarHBondContact O-CB 3.42Å; G640-L643 VanDerWaalsContact O-CG 3.26Å; G640-L643 WeakPolarHBondContact O-CG 3.4Å; G640-L643 PolarHBondContact O-N 2.73Å; G640-L643 VanDerWaalsContact O-N 3.15Å
641	G	81.4	Confident	88.1	Confident	30 Å²	30	50.3 Å²	50.3	31%	0.309	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	62	29.6	173.8	0	0	0	0	0	116	L643 T670 H673	G641-L643 PolarHBondContact O-N 2.75Å; G641-L643 VanDerWaalsContact O-N 3.16Å; G641-T670 WeakPolarHBondContact CA-O 3Å; G641-H673 PolarHBondContact O-CE1 2.84Å; G641-H673 PolarHBondContact O-NE2 2.75Å
642	N	84.2	Confident	88.3	Confident	170 Å²	170	49.4 Å²	49.4	91%	0.909	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	22	-174.5	-55.5	-38	0	0	0	114.5	G640	G640-N642 VanDerWaalsContact C-N 3.33Å; G640-N642 PolarHBondContact O-N 3.26Å
643	L	88.8	Confident	88.6	Confident	14 Å²	14	49.7 Å²	49.7	7%	0.073	29%	0.288	C	S	.	.			trans	-70.6	139	171.8	-62.1	175.5	0	0	0	109.9	G625 C639 G640 G641 F653 E657 T658 Y668 T670	G625-L643 WeakPolarHBondContact CA-O 3.41Å; C639-L643 HydrophobicContact CB-CB 3.83Å; G640-L643 WeakPolarHBondContact O-CB 3.42Å; G640-L643 VanDerWaalsContact O-CG 3.26Å; G640-L643 WeakPolarHBondContact O-CG 3.4Å; G640-L643 PolarHBondContact O-N 2.73Å; G640-L643 VanDerWaalsContact O-N 3.15Å; G641-L643 PolarHBondContact O-N 2.75Å; G641-L643 VanDerWaalsContact O-N 3.16Å; L643-F653 HydrophobicContact CD1-CE2 4.44Å; L643-F653 HydrophobicContact CD1-CZ 4.23Å; L643-E657 WeakPolarHBondContact CD2-O 3.32Å; L643-T658 HydrophobicContact CD1-CG2 4.43Å; L643-Y668 HydrophobicContact CD1-CD1 4.46Å; L643-Y668 HydrophobicContact CD1-CE1 3.86Å; L643-T670 HydrophobicContact CD1-CG2 4.16Å
644	V	91.1	Very high	88.7	Confident	74 Å²	74	54.3 Å²	54.3	45%	0.448	31%	0.309	S	S	.	.			trans	-104.6	155.1	173.9	-65.3	0	0	0	0	109.8	E657	V644-E657 HydrophobicContact CG2-CB 4.45Å; V644-E657 WeakPolarHBondContact O-CB 3.17Å; V644-E657 PolarHBondContact O-N 3.36Å
645	T	91.7	Very high	88.8	Confident	6 Å²	6	55.5 Å²	55.5	4%	0.037	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-91.4	153.8	171.3	52.6	0	0	0	0	109.8	L624 G625 C639 H647 A650 E655	L624-T645 WeakPolarHBondContact CA-OG1 3.36Å; G625-T645 PolarHBondContact N-OG1 3.39Å; G625-T645 VanDerWaalsContact N-OG1 3.09Å; C639-T645 VanDerWaalsContact SG-CG2 3.52Å; T645-H647 WeakPolarHBondContact CB-O 3.34Å; T645-H647 PolarHBondContact O-N 2.98Å; T645-H647 PolarHBondContact OG1-O 2.79Å; T645-A650 HydrophobicContact CG2-CB 3.67Å; T645-E655 WeakPolarHBondContact CA-O 3.49Å
646	K	84.9	Confident	88.9	Confident	153 Å²	153	52.8 Å²	52.8	67%	0.665	30%	0.297	S	S	*	.	S	Bend	trans	-59	-32.8	178	-69	178.2	-180	173.8	0	113.4	E655 E657	K646-E655 PolarHBondContact N-O 2.93Å; K646-E657 HydrophobicContact CG-CG 3.87Å; K646-E657 WeakPolarHBondContact CG-OE1 3.45Å
647	H	89.8	Confident	88.9	Confident	102 Å²	102	56.4 Å²	56.4	47%	0.472	31%	0.312	S	S	.	.	S	Bend	trans	-148.6	162.7	179.1	54.8	27.4	0	0	0	111.1	L624 T645 E655	L624-H647 VanDerWaalsContact CD2-C 3.42Å; T645-H647 WeakPolarHBondContact CB-O 3.34Å; T645-H647 PolarHBondContact O-N 2.98Å; T645-H647 PolarHBondContact OG1-O 2.79Å; H647-E655 IonicContact CE1-OE2 3.89Å; H647-E655 PolarHBondContact CE1-OE2 2.79Å; H647-E655 IonicContact ND1-OE2 3.95Å
648	S	91.3	Very high	88.8	Confident	72 Å²	72	56.6 Å²	56.6	50%	0.503	32%	0.316	S	S	.	.	S	Bend	trans	-67.8	146.1	168.9	55.9	0	0	0	0	110.6	C622	C622-S648 CarbonylContact O-C 3.58Å; C622-S648 WeakPolarHBondContact O-CA 3.28Å
649	G	92.2	Very high	88.6	Confident	18 Å²	18	57.3 Å²	57.3	19%	0.186	31%	0.314	C	S	.	.	S	Bend	trans	83.6	31.6	180	0	0	0	0	0	114.4	G609 C622	G609-G649 VanDerWaalsContact O-CA 3.23Å; G609-G649 WeakPolarHBondContact O-CA 3.26Å; C622-G649 PolarHBondContact O-N 3.3Å
650	A	93.8	Very high	88.6	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-64.4	141.9	179.6	0	0	0	0	0	112.2	G609 Y627 Q628 T645 E655	G609-A650 WeakPolarHBondContact CA-O 3.26Å; Y627-A650 CarbonylContact C-O 3.56Å; Y627-A650 WeakPolarHBondContact CA-O 3.43Å; Y627-A650 WeakPolarHBondContact CB-O 3.26Å; Q628-A650 PolarHBondContact N-O 2.77Å; T645-A650 HydrophobicContact CG2-CB 3.67Å; A650-E655 WeakPolarHBondContact CA-OE2 3.31Å; A650-E655 HydrophobicContact CB-CB 4.09Å; A650-E655 VanDerWaalsContact CB-OE2 3.3Å; A650-E655 WeakPolarHBondContact CB-OE2 3Å
651	V	91.8	Very high	88.7	Confident	58 Å²	58	66.5 Å²	66.5	35%	0.352	35%	0.353	S	S	.	.			trans	-103.8	-17.1	-177.1	-61	0	0	0	0	113.3	P608 Q628 P629 E655	P608-V651 HydrophobicContact CB-CB 4.44Å; P608-V651 HydrophobicContact CB-CG1 3.9Å; Q628-V651 CarbonylContact C-O 3.6Å; P629-V651 WeakPolarHBondContact CA-O 3.36Å; P629-V651 VanDerWaalsContact CB-O 3.27Å; P629-V651 WeakPolarHBondContact CB-O 3.23Å; V651-E655 WeakPolarHBondContact CG2-OE1 3.25Å; V651-E655 PolarHBondContact N-OE1 3.09Å; V651-E655 PolarHBondContact N-OE2 3.45Å
652	S	90.1	Very high	89.1	Confident	36 Å²	36	65.1 Å²	65.1	25%	0.252	34%	0.339	S	S	.	.	S	Bend	trans	-143.9	160.6	-176.3	72.1	0	0	0	0	113.2	Q654 E655	S652-Q654 PolarHBondContact O-N 3.45Å; S652-E655 PolarHBondContact N-OE1 2.84Å; S652-E655 PolarHBondContact O-N 2.75Å; S652-E655 PolarHBondContact OG-OE1 2.83Å
653	F	89.2	Confident	89.6	Confident	6 Å²	6	59.8 Å²	59.8	3%	0.026	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-63.3	-27.3	175.4	-178.2	-95.2	0	0	0	113	Y627 C639 L643 E655 C656 T658 Y668 T670 G688 N690	Y627-F653 HydrophobicContact CE1-CB 4.16Å; Y627-F653 AromaticContact CE1-CD2 3.98Å; Y627-F653 HydrophobicContact CE1-CD2 3.98Å; Y627-F653 HydrophobicContact CE2-CB 4.24Å; C639-F653 WeakPolarHBondContact O-CE2 3.29Å; L643-F653 HydrophobicContact CD1-CE2 4.44Å; L643-F653 HydrophobicContact CD1-CZ 4.23Å; F653-E655 PolarHBondContact O-N 2.03Å; F653-E655 VanDerWaalsContact O-N 3.12Å; F653-C656 HydrophobicContact CD2-CB 4.35Å; F653-C656 HydrophobicContact CE2-CB 4.22Å; F653-C656 WeakPolarHBondContact O-CB 3.45Å; F653-C656 PolarHBondContact O-N 2.79Å; F653-C656 PolarHBondContact O-SG 3.21Å; F653-C656 VanDerWaalsContact O-SG 3.37Å; F653-T658 HydrophobicContact CE1-CG2 4.13Å; F653-T658 HydrophobicContact CZ-CG2 4.22Å; F653-Y668 HydrophobicContact CZ-CD1 4.21Å; F653-T670 HydrophobicContact CE2-CG2 4.36Å; F653-T670 HydrophobicContact CZ-CG2 4.33Å; F653-G688 WeakPolarHBondContact CD1-O 3.44Å; F653-N690 HydrophobicContact CD1-CB 3.9Å; F653-N690 HydrophobicContact CD2-CB 4.27Å; F653-N690 WeakPolarHBondContact CD2-ND2 3.27Å; F653-N690 HydrophobicContact CE1-CB 3.54Å; F653-N690 HydrophobicContact CE2-CB 3.91Å; F653-N690 HydrophobicContact CG-CB 4.27Å; F653-N690 HydrophobicContact CZ-CB 3.55Å
654	Q	87.6	Confident	89.9	Confident	99 Å²	99	60.6 Å²	60.6	46%	0.463	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-62.9	-17.7	177.4	-82.3	176.9	-16.6	0	0	113.5	S652 C656 F687	S652-Q654 PolarHBondContact O-N 3.45Å; Q654-C656 VanDerWaalsContact C-N 3.34Å; Q654-F687 PolarHBondContact NE2-O 2.73Å
655	E	89.7	Confident	89.9	Confident	40 Å²	40	57.1 Å²	57.1	19%	0.187	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-86.7	-6.3	175.5	-67.7	165.5	-129.8	0	0	113.4	T645 K646 H647 A650 V651 S652 F653	T645-E655 WeakPolarHBondContact CA-O 3.49Å; K646-E655 PolarHBondContact N-O 2.93Å; H647-E655 IonicContact CE1-OE2 3.89Å; H647-E655 PolarHBondContact CE1-OE2 2.79Å; H647-E655 IonicContact ND1-OE2 3.95Å; A650-E655 WeakPolarHBondContact CA-OE2 3.31Å; A650-E655 HydrophobicContact CB-CB 4.09Å; A650-E655 VanDerWaalsContact CB-OE2 3.3Å; A650-E655 WeakPolarHBondContact CB-OE2 3Å; V651-E655 WeakPolarHBondContact CG2-OE1 3.25Å; V651-E655 PolarHBondContact N-OE1 3.09Å; V651-E655 PolarHBondContact N-OE2 3.45Å; S652-E655 PolarHBondContact N-OE1 2.84Å; S652-E655 PolarHBondContact O-N 2.75Å; S652-E655 PolarHBondContact OG-OE1 2.83Å; F653-E655 PolarHBondContact O-N 2.03Å; F653-E655 VanDerWaalsContact O-N 3.12Å
656	C	89.4	Confident	90	Very high	4 Å²	4	58.8 Å²	58.8	3%	0.027	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-72.5	132.3	167.4	-54.2	0	0	0	0	109.4	C639 F653 Q654 T658	C639-C656 HydrophobicContact CB-CB 3.78Å; C639-C656 WeakPolarHBondContact CB-SG 2.96Å; C639-C656 WeakPolarHBondContact SG-CB 3.45Å; C639-C656 CovalentContact SG-SG 2.04Å; C639-C656 PolarHBondContact SG-SG 2.8Å; F653-C656 HydrophobicContact CD2-CB 4.35Å; F653-C656 HydrophobicContact CE2-CB 4.22Å; F653-C656 WeakPolarHBondContact O-CB 3.45Å; F653-C656 PolarHBondContact O-N 2.79Å; F653-C656 PolarHBondContact O-SG 3.21Å; F653-C656 VanDerWaalsContact O-SG 3.37Å; Q654-C656 VanDerWaalsContact C-N 3.34Å; C656-T658 PolarHBondContact O-N 2.86Å
657	E	89.6	Confident	90.4	Very high	99 Å²	99	54.2 Å²	54.2	46%	0.463	29%	0.286	S	S	.	.			trans	-76.2	82.2	-177.4	-66.2	-171.6	165.4	0	0	111.7	L643 V644 K646	L643-E657 WeakPolarHBondContact CD2-O 3.32Å; V644-E657 HydrophobicContact CG2-CB 4.45Å; V644-E657 WeakPolarHBondContact O-CB 3.17Å; V644-E657 PolarHBondContact O-N 3.36Å; K646-E657 HydrophobicContact CG-CG 3.87Å; K646-E657 WeakPolarHBondContact CG-OE1 3.45Å
658	T	86.8	Confident	90.5	Very high	41 Å²	41	49.5 Å²	49.5	25%	0.252	26%	0.264	S	S	.	.			trans	-71	141.8	176	60.6	0	0	0	0	111.8	L643 F653 C656 V660 Y668	L643-T658 HydrophobicContact CD1-CG2 4.43Å; F653-T658 HydrophobicContact CE1-CG2 4.13Å; F653-T658 HydrophobicContact CZ-CG2 4.22Å; C656-T658 PolarHBondContact O-N 2.86Å; T658-V660 VanDerWaalsContact C-N 3.25Å; T658-V660 WeakPolarHBondContact CB-O 3.48Å; T658-V660 PolarHBondContact O-N 3.07Å; T658-V660 PolarHBondContact OG1-O 2.99Å; T658-Y668 HydrophobicContact CG2-CD1 4.18Å; T658-Y668 HydrophobicContact CG2-CD2 4.04Å; T658-Y668 HydrophobicContact CG2-CE1 4.21Å; T658-Y668 HydrophobicContact CG2-CE2 4.07Å; T658-Y668 HydrophobicContact CG2-CG 4.09Å
659	K	84	Confident	90.5	Very high	151 Å²	151	47.7 Å²	47.7	66%	0.657	25%	0.249	S	C	*	.	S	Bend	trans	-64.3	-27.9	175.7	-66.2	-179.7	-179.3	164.5	0	114.1	H673	K659-H673 HydrophobicContact CD-CB 4.1Å
660	V	88.1	Confident	90.3	Very high	70 Å²	70	48.5 Å²	48.5	42%	0.424	25%	0.25	S	S	.	.	S	Bend	trans	-142.7	142.1	179.7	-68.5	0	0	0	0	108.8	T658 Y668	T658-V660 VanDerWaalsContact C-N 3.25Å; T658-V660 WeakPolarHBondContact CB-O 3.48Å; T658-V660 PolarHBondContact O-N 3.07Å; T658-V660 PolarHBondContact OG1-O 2.99Å; V660-Y668 HydrophobicContact CG2-CD2 4.3Å; V660-Y668 HydrophobicContact CG2-CE2 3.8Å
661	Q	86.6	Confident	90	Very high	153 Å²	153	53.5 Å²	53.5	72%	0.715	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-93.7	122.1	178	-166	167.5	7.8	0	0	109.9
662	C	91.5	Very high	89.9	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.007	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-81.1	132.5	-179.3	-56.2	0	0	0	0	111.3	H666 C675 F687 G688	C662-H666 HydrophobicContact CB-CB 4.13Å; C662-C675 WeakPolarHBondContact CA-SG 3.47Å; C662-C675 HydrophobicContact CB-CB 3.86Å; C662-C675 WeakPolarHBondContact CB-SG 3.35Å; C662-C675 WeakPolarHBondContact SG-CA 3.35Å; C662-C675 WeakPolarHBondContact SG-CB 3.36Å; C662-C675 CovalentContact SG-SG 2.04Å; C662-C675 PolarHBondContact SG-SG 2.61Å; C662-F687 WeakPolarHBondContact O-CA 3.31Å; C662-G688 PolarHBondContact O-N 3Å
663	S	93.4	Very high	89.8	Confident	58 Å²	58	54.9 Å²	54.9	41%	0.406	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-72.4	161.4	169.5	55.1	0	0	0	0	111	H666	S663-H666 WeakPolarHBondContact O-CB 3.38Å; S663-H666 PolarHBondContact O-N 3.22Å; S663-H666 VanDerWaalsContact O-N 3.16Å
664	P	94.6	Very high	89.9	Confident	32 Å²	32	63.3 Å²	63.3	21%	0.208	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.9	148.6	171	-29.5	35.7	0	0	0	112.2	H666 Q684 G685 F687 T707	P664-H666 PolarHBondContact O-N 2.87Å; P664-H666 PolarHBondContact O-ND1 3.29Å; P664-Q684 CarbonylContact C-O 3.51Å; P664-Q684 WeakPolarHBondContact CA-O 3.28Å; P664-G685 WeakPolarHBondContact CG-O 3.44Å; P664-F687 HydrophobicContact CG-CD1 4.47Å; P664-F687 HydrophobicContact CG-CD2 3.9Å; P664-F687 HydrophobicContact CG-CE1 4.22Å; P664-F687 HydrophobicContact CG-CE2 3.6Å; P664-F687 HydrophobicContact CG-CG 4.32Å; P664-F687 HydrophobicContact CG-CZ 3.78Å; P664-T707 HydrophobicContact CB-CG2 3.93Å
665	G	92.8	Very high	90.2	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	0.7	-173.3	0	0	0	0	0	113.6	C678 Q684 G705 S706	G665-C678 PolarHBondContact O-N 3.34Å; G665-Q684 PolarHBondContact N-O 3.13Å; G665-G705 WeakPolarHBondContact CA-O 3.43Å; G665-G705 VanDerWaalsContact O-CA 3.23Å; G665-G705 WeakPolarHBondContact O-CA 3.13Å; G665-S706 WeakPolarHBondContact CA-O 3.03Å
666	H	94.1	Very high	90.4	Very high	42 Å²	42	61.6 Å²	61.6	19%	0.194	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	146.8	177.3	-57.6	68	0	0	0	110.7	C662 S663 P664 C675 I676 R677	C662-H666 HydrophobicContact CB-CB 4.13Å; S663-H666 WeakPolarHBondContact O-CB 3.38Å; S663-H666 PolarHBondContact O-N 3.22Å; S663-H666 VanDerWaalsContact O-N 3.16Å; P664-H666 PolarHBondContact O-N 2.87Å; P664-H666 PolarHBondContact O-ND1 3.29Å; H666-C675 HydrophobicContact CB-CB 4.17Å; H666-I676 CarbonylContact C-O 3.48Å; H666-I676 WeakPolarHBondContact CA-O 3.38Å; H666-I676 WeakPolarHBondContact CB-O 3.19Å; H666-R677 VanDerWaalsContact NE2-CG 3.27Å; H666-R677 WeakPolarHBondContact NE2-CG 3.3Å
667	Y	92.5	Very high	90.7	Very high	56 Å²	56	68.1 Å²	68.1	22%	0.22	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	148.8	170.8	76.2	-80.6	0	0	0	110.9	N669 C675 I676 Q689 N690 C692	Y667-N669 HydrophobicContact CE2-CB 4.21Å; Y667-N669 PolarHBondContact O-N 2.69Å; Y667-C675 WeakPolarHBondContact O-CA 3.07Å; Y667-I676 HydrophobicContact CD1-CB 4.2Å; Y667-I676 VanDerWaalsContact CD1-O 3.3Å; Y667-I676 WeakPolarHBondContact CD1-O 3.33Å; Y667-I676 HydrophobicContact CE1-CB 3.66Å; Y667-I676 HydrophobicContact CE1-CG2 3.75Å; Y667-I676 PolarHBondContact N-O 3.49Å; Y667-I676 PolarHBondContact O-N 3.04Å; Y667-Q689 CarbonylContact C-O 3.5Å; Y667-Q689 WeakPolarHBondContact CA-O 3.47Å; Y667-N690 WeakPolarHBondContact CD2-O 2.99Å; Y667-C692 WeakPolarHBondContact CD1-SG 3.42Å
668	Y	91.8	Very high	90.9	Very high	3 Å²	3	63.4 Å²	63.4	1%	0.012	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	115.7	176.9	-169.9	-89.6	0	0	0	110.6	L643 F653 T658 V660 T670 H673 Q689 N690	L643-Y668 HydrophobicContact CD1-CD1 4.46Å; L643-Y668 HydrophobicContact CD1-CE1 3.86Å; F653-Y668 HydrophobicContact CZ-CD1 4.21Å; T658-Y668 HydrophobicContact CG2-CD1 4.18Å; T658-Y668 HydrophobicContact CG2-CD2 4.04Å; T658-Y668 HydrophobicContact CG2-CE1 4.21Å; T658-Y668 HydrophobicContact CG2-CE2 4.07Å; T658-Y668 HydrophobicContact CG2-CG 4.09Å; V660-Y668 HydrophobicContact CG2-CD2 4.3Å; V660-Y668 HydrophobicContact CG2-CE2 3.8Å; Y668-T670 HydrophobicContact CD1-CG2 4.06Å; Y668-T670 HydrophobicContact CE1-CG2 4.29Å; Y668-H673 AromaticContact CZ-ND1 3.97Å; Y668-H673 WeakPolarHBondContact OH-CA 3.37Å; Y668-H673 WeakPolarHBondContact OH-CB 3.43Å; Y668-H673 PolarHBondContact OH-ND1 3.35Å; Y668-Q689 PolarHBondContact N-O 3.38Å; Y668-N690 WeakPolarHBondContact O-CA 3.26Å; Y668-N690 WeakPolarHBondContact O-CB 3.23Å
669	N	91.3	Very high	91.3	Very high	35 Å²	35	64.9 Å²	64.9	19%	0.187	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	113.3	173.7	-173.6	-44.9	0	0	0	110	Y667 S671 T672 H673 R674 I676	Y667-N669 HydrophobicContact CE2-CB 4.21Å; Y667-N669 PolarHBondContact O-N 2.69Å; N669-S671 VanDerWaalsContact C-N 3.27Å; N669-S671 PolarHBondContact O-N 3.03Å; N669-S671 WeakPolarHBondContact OD1-CB 3.16Å; N669-S671 PolarHBondContact OD1-N 2.8Å; N669-T672 WeakPolarHBondContact CB-OG1 3.41Å; N669-T672 PolarHBondContact O-N 3.37Å; N669-T672 PolarHBondContact OD1-N 2.79Å; N669-H673 VanDerWaalsContact O-CA 3.26Å; N669-H673 WeakPolarHBondContact O-CA 3.39Å; N669-H673 PolarHBondContact O-N 3.03Å; N669-R674 PolarHBondContact N-O 2.66Å; N669-I676 HydrophobicContact CB-CD1 3.55Å; N669-I676 HydrophobicContact CB-CG1 4.04Å; N669-I676 VanDerWaalsContact ND2-CD1 3.34Å; N669-I676 WeakPolarHBondContact ND2-CD1 3.32Å
670	T	87.3	Confident	91.7	Very high	34 Å²	34	61.8 Å²	61.8	21%	0.209	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-21.9	-176.8	54.5	0	0	0	0	113.7	C639 G641 L643 F653 Y668	C639-T670 WeakPolarHBondContact O-CG2 3.05Å; G641-T670 WeakPolarHBondContact CA-O 3Å; L643-T670 HydrophobicContact CD1-CG2 4.16Å; F653-T670 HydrophobicContact CE2-CG2 4.36Å; F653-T670 HydrophobicContact CZ-CG2 4.33Å; Y668-T670 HydrophobicContact CD1-CG2 4.06Å; Y668-T670 HydrophobicContact CE1-CG2 4.29Å
671	S	88.9	Confident	91.9	Very high	106 Å²	106	59.1 Å²	59.1	74%	0.741	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-36	178.9	-55.7	0	0	0	0	112.1	N669	N669-S671 VanDerWaalsContact C-N 3.27Å; N669-S671 PolarHBondContact O-N 3.03Å; N669-S671 WeakPolarHBondContact OD1-CB 3.16Å; N669-S671 PolarHBondContact OD1-N 2.8Å
672	T	89	Confident	92.2	Very high	77 Å²	77	52.7 Å²	52.7	47%	0.472	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-12	-179.5	63.2	0	0	0	0	113.6	N669 R674	N669-T672 WeakPolarHBondContact CB-OG1 3.41Å; N669-T672 PolarHBondContact O-N 3.37Å; N669-T672 PolarHBondContact OD1-N 2.79Å; T672-R674 VanDerWaalsContact C-N 3.26Å; T672-R674 PolarHBondContact O-N 2.83Å
673	H	88.1	Confident	92.3	Very high	45 Å²	45	54.4 Å²	54.4	21%	0.208	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	34.8	-172.8	-64.4	-79.5	0	0	0	114.2	G641 K659 Y668 N669	G641-H673 PolarHBondContact O-CE1 2.84Å; G641-H673 PolarHBondContact O-NE2 2.75Å; K659-H673 HydrophobicContact CD-CB 4.1Å; Y668-H673 AromaticContact CZ-ND1 3.97Å; Y668-H673 WeakPolarHBondContact OH-CA 3.37Å; Y668-H673 WeakPolarHBondContact OH-CB 3.43Å; Y668-H673 PolarHBondContact OH-ND1 3.35Å; N669-H673 VanDerWaalsContact O-CA 3.26Å; N669-H673 WeakPolarHBondContact O-CA 3.39Å; N669-H673 PolarHBondContact O-N 3.03Å
674	R	91.4	Very high	92.3	Very high	183 Å²	183	51.9 Å²	51.9	69%	0.691	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.5	155.6	-179.6	-62.3	-179.8	105.5	112.9	0.8	111	N669 T672	N669-R674 PolarHBondContact N-O 2.66Å; T672-R674 VanDerWaalsContact C-N 3.26Å; T672-R674 PolarHBondContact O-N 2.83Å
675	C	93.8	Very high	92.1	Very high	45 Å²	45	52 Å²	52	30%	0.304	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	123.7	170.6	-60.6	0	0	0	0	109.8	C662 H666 Y667	C662-C675 WeakPolarHBondContact CA-SG 3.47Å; C662-C675 HydrophobicContact CB-CB 3.86Å; C662-C675 WeakPolarHBondContact CB-SG 3.35Å; C662-C675 WeakPolarHBondContact SG-CA 3.35Å; C662-C675 WeakPolarHBondContact SG-CB 3.36Å; C662-C675 CovalentContact SG-SG 2.04Å; C662-C675 PolarHBondContact SG-SG 2.61Å; H666-C675 HydrophobicContact CB-CB 4.17Å; Y667-C675 WeakPolarHBondContact O-CA 3.07Å
676	I	93.9	Very high	92	Very high	59 Å²	59	57.5 Å²	57.5	30%	0.303	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	139.9	178.7	-56.3	-176.6	0	0	0	107.9	H666 Y667 N669	H666-I676 CarbonylContact C-O 3.48Å; H666-I676 WeakPolarHBondContact CA-O 3.38Å; H666-I676 WeakPolarHBondContact CB-O 3.19Å; Y667-I676 HydrophobicContact CD1-CB 4.2Å; Y667-I676 VanDerWaalsContact CD1-O 3.3Å; Y667-I676 WeakPolarHBondContact CD1-O 3.33Å; Y667-I676 HydrophobicContact CE1-CB 3.66Å; Y667-I676 HydrophobicContact CE1-CG2 3.75Å; Y667-I676 PolarHBondContact N-O 3.49Å; Y667-I676 PolarHBondContact O-N 3.04Å; N669-I676 HydrophobicContact CB-CD1 3.55Å; N669-I676 HydrophobicContact CB-CG1 4.04Å; N669-I676 VanDerWaalsContact ND2-CD1 3.34Å; N669-I676 WeakPolarHBondContact ND2-CD1 3.32Å
677	R	95.2	Very high	91.8	Very high	141 Å²	141	60.7 Å²	60.7	53%	0.532	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	143.4	176	-71.1	179.8	-179.3	-152.3	1.3	110.8	H666 D704	H666-R677 VanDerWaalsContact NE2-CG 3.27Å; H666-R677 WeakPolarHBondContact NE2-CG 3.3Å; R677-D704 WeakPolarHBondContact CD-OD2 3.48Å
678	C	95.1	Very high	91.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-63.5	125.9	173.1	-72.3	0	0	0	0	110.3	G665 T682 Q684 C692 D704 G705	G665-C678 PolarHBondContact O-N 3.34Å; C678-T682 WeakPolarHBondContact CB-OG1 3.29Å; C678-Q684 WeakPolarHBondContact SG-CB 3.38Å; C678-C692 WeakPolarHBondContact CA-SG 3.07Å; C678-C692 HydrophobicContact CB-CB 3.78Å; C678-C692 WeakPolarHBondContact CB-SG 3.19Å; C678-C692 WeakPolarHBondContact SG-CB 3.48Å; C678-C692 CovalentContact SG-SG 2.04Å; C678-C692 PolarHBondContact SG-SG 2.98Å; C678-D704 CarbonylContact O-C 3.54Å; C678-D704 WeakPolarHBondContact O-CA 3.4Å; C678-D704 WeakPolarHBondContact O-CB 2.79Å; C678-G705 PolarHBondContact O-N 3.18Å
679	P	94.6	Very high	91.3	Very high	71 Å²	71	59.5 Å²	59.5	46%	0.461	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-63.4	162.6	178.1	27.2	-35.2	0	0	0	111.6	G681 T682	P679-G681 PolarHBondContact O-N 3.41Å; P679-T682 VanDerWaalsContact CD-OG1 3.22Å; P679-T682 WeakPolarHBondContact CD-OG1 3.12Å; P679-T682 HydrophobicContact CG-CG2 4.22Å; P679-T682 PolarHBondContact O-N 3.41Å; P679-T682 PolarHBondContact O-OG1 3.45Å
680	T	92.8	Very high	91.2	Very high	87 Å²	87	59.9 Å²	59.9	53%	0.534	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	138	176.1	47	0	0	0	0	111.3	T682 T701	T680-T682 VanDerWaalsContact C-N 3.32Å; T680-T701 WeakPolarHBondContact CA-OG1 3.34Å
681	G	90.9	Very high	91.3	Very high	14 Å²	14	61.9 Å²	61.9	14%	0.144	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	5.6	-172.9	0	0	0	0	0	114.5	P679 C695 S700 T701	P679-G681 PolarHBondContact O-N 3.41Å; G681-C695 WeakPolarHBondContact O-CB 3.38Å; G681-C695 PolarHBondContact O-N 3.27Å; G681-S700 WeakPolarHBondContact CA-OG 3.5Å; G681-S700 PolarHBondContact N-OG 2.04Å; G681-T701 PolarHBondContact N-OG1 2.89Å
682	T	93.2	Very high	91.5	Very high	18 Å²	18	57.7 Å²	57.7	11%	0.11	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	154.9	172.7	71.6	0	0	0	0	111.5	C678 P679 T680 C692 V693 T694	C678-T682 WeakPolarHBondContact CB-OG1 3.29Å; P679-T682 VanDerWaalsContact CD-OG1 3.22Å; P679-T682 WeakPolarHBondContact CD-OG1 3.12Å; P679-T682 HydrophobicContact CG-CG2 4.22Å; P679-T682 PolarHBondContact O-N 3.41Å; P679-T682 PolarHBondContact O-OG1 3.45Å; T680-T682 VanDerWaalsContact C-N 3.32Å; T682-C692 HydrophobicContact CG2-CB 4.4Å; T682-C692 WeakPolarHBondContact OG1-CB 2.86Å; T682-V693 CarbonylContact C-O 3.3Å; T682-V693 WeakPolarHBondContact CA-O 3.26Å; T682-V693 VanDerWaalsContact CB-O 3.29Å; T682-V693 WeakPolarHBondContact CB-O 3.4Å; T682-T694 HydrophobicContact CG2-CG2 4.04Å
683	Y	93.2	Very high	91.6	Very high	36 Å²	36	55.6 Å²	55.6	14%	0.141	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	160.2	178.4	70	-81.8	0	0	0	111.7	V693 S706 I709	Y683-V693 HydrophobicContact CD1-CB 4.3Å; Y683-V693 HydrophobicContact CE1-CB 3.9Å; Y683-V693 HydrophobicContact CE1-CG1 3.72Å; Y683-V693 HydrophobicContact CE2-CB 4.28Å; Y683-V693 HydrophobicContact CE2-CG1 4.49Å; Y683-V693 PolarHBondContact N-O 3.4Å; Y683-V693 PolarHBondContact O-N 2.85Å; Y683-S706 CarbonylContact C-O 3.54Å; Y683-S706 WeakPolarHBondContact CA-O 2.93Å; Y683-S706 WeakPolarHBondContact CB-O 3.19Å; Y683-I709 HydrophobicContact CE1-CB 4.16Å; Y683-I709 HydrophobicContact CE1-CG1 4.28Å; Y683-I709 HydrophobicContact CE2-CB 3.94Å
684	Q	93.6	Very high	91.8	Very high	6 Å²	6	55.3 Å²	55.3	3%	0.028	28%	0.281	C	S	.	.			trans	-144.2	112	173.2	179.8	52.1	-94	0	0	110.2	P664 G665 C678 E686 Q689 Y691 S706 T707	P664-Q684 CarbonylContact C-O 3.51Å; P664-Q684 WeakPolarHBondContact CA-O 3.28Å; G665-Q684 PolarHBondContact N-O 3.13Å; C678-Q684 WeakPolarHBondContact SG-CB 3.38Å; Q684-E686 WeakPolarHBondContact CG-O 3.5Å; Q684-Q689 HydrophobicContact CG-CB 4.24Å; Q684-Q689 VanDerWaalsContact NE2-CB 3.28Å; Q684-Y691 PolarHBondContact NE2-O 3.13Å; Q684-S706 PolarHBondContact N-O 2.72Å; Q684-T707 WeakPolarHBondContact O-CA 3.38Å
685	G	91.3	Very high	91.9	Very high	33 Å²	33	47 Å²	47	34%	0.34	25%	0.251	S	S	.	.			trans	-87.8	-23.8	179.2	0	0	0	0	0	114.1	P664 T707	P664-G685 WeakPolarHBondContact CG-O 3.44Å; G685-T707 WeakPolarHBondContact CA-O 3.2Å; G685-T707 PolarHBondContact N-O 3.28Å
686	E	89.8	Confident	91.7	Very high	116 Å²	116	45 Å²	45	54%	0.542	24%	0.237	S	C	.	.	S	Bend	trans	-95.7	152.3	-173	-62.8	-58.6	141.6	0	0	112.4	Q684 Q689	Q684-E686 WeakPolarHBondContact CG-O 3.5Å; E686-Q689 HydrophobicContact CB-CG 3.85Å
687	F	90.1	Very high	91.3	Very high	109 Å²	109	44.3 Å²	44.3	48%	0.478	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	145.8	175.8	-71.5	-101.3	0	0	0	111.6	Q654 C662 P664 Q689	Q654-F687 PolarHBondContact NE2-O 2.73Å; C662-F687 WeakPolarHBondContact O-CA 3.31Å; P664-F687 HydrophobicContact CG-CD1 4.47Å; P664-F687 HydrophobicContact CG-CD2 3.9Å; P664-F687 HydrophobicContact CG-CE1 4.22Å; P664-F687 HydrophobicContact CG-CE2 3.6Å; P664-F687 HydrophobicContact CG-CG 4.32Å; P664-F687 HydrophobicContact CG-CZ 3.78Å; F687-Q689 VanDerWaalsContact C-N 3.32Å; F687-Q689 PolarHBondContact O-N 2.82Å
688	G	85.7	Confident	90.7	Very high	7 Å²	7	43.9 Å²	43.9	7%	0.072	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	22	166.4	0	0	0	0	0	116	F653 C662	F653-G688 WeakPolarHBondContact CD1-O 3.44Å; C662-G688 PolarHBondContact O-N 3Å
689	Q	88.8	Confident	90.5	Very high	28 Å²	28	44.5 Å²	44.5	13%	0.131	26%	0.257	C	S	.	.			trans	-82.4	154.3	174.9	-61.8	-63.2	-10.8	0	0	111.8	Y667 Y668 Q684 E686 F687 Y691	Y667-Q689 CarbonylContact C-O 3.5Å; Y667-Q689 WeakPolarHBondContact CA-O 3.47Å; Y668-Q689 PolarHBondContact N-O 3.38Å; Q684-Q689 HydrophobicContact CG-CB 4.24Å; Q684-Q689 VanDerWaalsContact NE2-CB 3.28Å; E686-Q689 HydrophobicContact CB-CG 3.85Å; F687-Q689 VanDerWaalsContact C-N 3.32Å; F687-Q689 PolarHBondContact O-N 2.82Å; Q689-Y691 HydrophobicContact CB-CE1 4.43Å
690	N	89.1	Confident	90.3	Very high	43 Å²	43	42.8 Å²	42.8	23%	0.23	25%	0.246	C	C	.	.	S	Bend	trans	-100.9	6.5	176.1	64.3	-19.4	0	0	0	114.4	F653 Y667 Y668	F653-N690 HydrophobicContact CD1-CB 3.9Å; F653-N690 HydrophobicContact CD2-CB 4.27Å; F653-N690 WeakPolarHBondContact CD2-ND2 3.27Å; F653-N690 HydrophobicContact CE1-CB 3.54Å; F653-N690 HydrophobicContact CE2-CB 3.91Å; F653-N690 HydrophobicContact CG-CB 4.27Å; F653-N690 HydrophobicContact CZ-CB 3.55Å; Y667-N690 WeakPolarHBondContact CD2-O 2.99Å; Y668-N690 WeakPolarHBondContact O-CA 3.26Å; Y668-N690 WeakPolarHBondContact O-CB 3.23Å
691	Y	89.9	Confident	90.2	Very high	76 Å²	76	38.8 Å²	38.8	30%	0.298	22%	0.222	S	C	.	.	S	Bend	trans	-136.3	165.1	178.5	66.3	-88.7	0	0	0	111	V277 Q684 Q689 V693	V277-Y691 HydrophobicContact CB-CD2 4.2Å; V277-Y691 HydrophobicContact CB-CE2 4.22Å; V277-Y691 HydrophobicContact CG1-CD1 4.2Å; V277-Y691 HydrophobicContact CG1-CD2 3.52Å; V277-Y691 HydrophobicContact CG1-CE1 4.07Å; V277-Y691 HydrophobicContact CG1-CE2 3.34Å; V277-Y691 HydrophobicContact CG1-CG 3.95Å; V277-Y691 HydrophobicContact CG2-CD2 3.76Å; V277-Y691 HydrophobicContact CG2-CE2 3.79Å; Q684-Y691 PolarHBondContact NE2-O 3.13Å; Q689-Y691 HydrophobicContact CB-CE1 4.43Å; Y691-V693 HydrophobicContact CD2-CG2 4.3Å; Y691-V693 HydrophobicContact CE2-CG2 3.73Å
692	C	92.7	Very high	90	Very high	17 Å²	17	40 Å²	40	12%	0.115	23%	0.226	C	C	.	.			trans	-112.5	140.8	165.8	-59.2	0	0	0	0	108.8	Y667 C678 T682	Y667-C692 WeakPolarHBondContact CD1-SG 3.42Å; C678-C692 WeakPolarHBondContact CA-SG 3.07Å; C678-C692 HydrophobicContact CB-CB 3.78Å; C678-C692 WeakPolarHBondContact CB-SG 3.19Å; C678-C692 WeakPolarHBondContact SG-CB 3.48Å; C678-C692 CovalentContact SG-SG 2.04Å; C678-C692 PolarHBondContact SG-SG 2.98Å; T682-C692 HydrophobicContact CG2-CB 4.4Å; T682-C692 WeakPolarHBondContact OG1-CB 2.86Å
693	V	91.5	Very high	89.8	Confident	33 Å²	33	44 Å²	44	20%	0.2	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	132.6	176.5	-177.3	0	0	0	0	108.2	V277 T682 Y683 Y691	V277-V693 HydrophobicContact CG2-CG2 4.39Å; T682-V693 CarbonylContact C-O 3.3Å; T682-V693 WeakPolarHBondContact CA-O 3.26Å; T682-V693 VanDerWaalsContact CB-O 3.29Å; T682-V693 WeakPolarHBondContact CB-O 3.4Å; Y683-V693 HydrophobicContact CD1-CB 4.3Å; Y683-V693 HydrophobicContact CE1-CB 3.9Å; Y683-V693 HydrophobicContact CE1-CG1 3.72Å; Y683-V693 HydrophobicContact CE2-CB 4.28Å; Y683-V693 HydrophobicContact CE2-CG1 4.49Å; Y683-V693 PolarHBondContact N-O 3.4Å; Y683-V693 PolarHBondContact O-N 2.85Å; Y691-V693 HydrophobicContact CD2-CG2 4.3Å; Y691-V693 HydrophobicContact CE2-CG2 3.73Å
694	T	91.6	Very high	89.7	Confident	39 Å²	39	45.9 Å²	45.9	24%	0.239	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	144.7	173.7	44.8	0	0	0	0	110.8	S276 T682	S276-T694 VanDerWaalsContact CB-CG2 3.43Å; S276-T694 WeakPolarHBondContact CB-OG1 3.38Å; S276-T694 WeakPolarHBondContact OG-CG2 3.48Å; S276-T694 PolarHBondContact OG-OG1 2.76Å; T682-T694 HydrophobicContact CG2-CG2 4.04Å
695	C	92.4	Very high	89.6	Confident	9 Å²	9	46.2 Å²	46.2	6%	0.061	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-61.9	139.6	173.2	-80.2	0	0	0	0	110.6	G681 T699 T701 C712	G681-C695 WeakPolarHBondContact O-CB 3.38Å; G681-C695 PolarHBondContact O-N 3.27Å; C695-T699 WeakPolarHBondContact CB-O 3.26Å; C695-T699 WeakPolarHBondContact CB-OG1 3.46Å; C695-T701 WeakPolarHBondContact SG-CG2 3.24Å; C695-C712 WeakPolarHBondContact CA-SG 3.35Å; C695-C712 HydrophobicContact CB-CB 3.65Å; C695-C712 WeakPolarHBondContact CB-SG 3.2Å; C695-C712 WeakPolarHBondContact SG-CB 3.04Å; C695-C712 CovalentContact SG-SG 2.04Å; C695-C712 PolarHBondContact SG-SG 3.1Å
696	P	91.1	Very high	89.7	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.013	24%	0.243	C	C	.	.	S	Bend	trans	-72.7	148.4	-173.8	34.1	-40.6	0	0	0	111.9	T262 Y264 D271 T699 I709	T262-P696 HydrophobicContact CG2-CB 3.37Å; T262-P696 HydrophobicContact CG2-CG 3.62Å; Y264-P696 HydrophobicContact CD1-CG 3.99Å; Y264-P696 HydrophobicContact CG-CG 4.35Å; D271-P696 CarbonylContact O-C 3.58Å; D271-P696 WeakPolarHBondContact O-CA 3.04Å; D271-P696 WeakPolarHBondContact O-CB 3.19Å; P696-T699 WeakPolarHBondContact O-CB 3.39Å; P696-T699 WeakPolarHBondContact O-CG2 3.44Å; P696-T699 PolarHBondContact O-OG1 2.85Å; P696-I709 HydrophobicContact CG-CD1 3.95Å; P696-I709 HydrophobicContact CG-CG1 4.28Å
697	G	84.1	Confident	89.9	Confident	46 Å²	46	42 Å²	42	47%	0.474	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	-139.8	-173.9	0	0	0	0	0	112.4	D271	D271-G697 PolarHBondContact O-N 2.89Å
698	N	83.2	Confident	89.8	Confident	131 Å²	131	40.3 Å²	40.3	70%	0.701	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.8	37.1	179.3	-159.6	15.5	0	0	0	112.3	Q716	N698-Q716 PolarHBondContact ND2-NE2 3.11Å
699	T	90.3	Very high	90	Very high	13 Å²	13	41.2 Å²	41.2	8%	0.08	23%	0.234	C	C	.	.			trans	-96.9	160.1	-176.4	65.2	0	0	0	0	111.8	Y264 C695 P696 N714	Y264-T699 HydrophobicContact CD1-CG2 4.43Å; Y264-T699 HydrophobicContact CD2-CG2 3.97Å; Y264-T699 HydrophobicContact CE1-CG2 4.06Å; Y264-T699 HydrophobicContact CE2-CG2 3.6Å; Y264-T699 HydrophobicContact CG-CG2 4.38Å; C695-T699 WeakPolarHBondContact CB-O 3.26Å; C695-T699 WeakPolarHBondContact CB-OG1 3.46Å; P696-T699 WeakPolarHBondContact O-CB 3.39Å; P696-T699 WeakPolarHBondContact O-CG2 3.44Å; P696-T699 PolarHBondContact O-OG1 2.85Å; T699-N714 HydrophobicContact CG2-CB 4.18Å
700	S	90.8	Very high	89.8	Confident	35 Å²	35	43.8 Å²	43.8	25%	0.245	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-145	159.1	179.5	-173.5	0	0	0	0	112.2	G681 K713	G681-S700 WeakPolarHBondContact CA-OG 3.5Å; G681-S700 PolarHBondContact N-OG 2.04Å; S700-K713 PolarHBondContact N-O 2.99Å; S700-K713 PolarHBondContact O-N 2.75Å
701	T	90.8	Very high	89.7	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.018	25%	0.247	C	C	.	.			trans	-89.5	151.8	176.7	64.2	0	0	0	0	111	T680 G681 C695 F703 S706	T680-T701 WeakPolarHBondContact CA-OG1 3.34Å; G681-T701 PolarHBondContact N-OG1 2.89Å; C695-T701 WeakPolarHBondContact SG-CG2 3.24Å; T701-F703 VanDerWaalsContact C-N 3.34Å; T701-F703 PolarHBondContact OG1-O 2.91Å; T701-S706 WeakPolarHBondContact CB-OG 3.43Å; T701-S706 WeakPolarHBondContact CG2-OG 3.31Å; T701-S706 PolarHBondContact OG1-OG 2.89Å
702	D	87.2	Confident	89.7	Confident	41 Å²	41	40.6 Å²	40.6	22%	0.219	23%	0.233	C	C	.	.	S	Bend	trans	-75.3	-24.3	-179.5	-65.4	-35.7	0	0	0	113.2	K713 R715 A739	D702-K713 WeakPolarHBondContact OD2-CD 3.44Å; D702-K713 WeakPolarHBondContact OD2-CE 3.43Å; D702-K713 IonicContact OD2-NZ 3.07Å; D702-K713 PolarHBondContact OD2-NZ 3.4Å; D702-R715 IonicContact OD1-CZ 2.88Å; D702-R715 IonicContact OD1-NH2 3.81Å; D702-R715 PolarHBondContact OD1-NH2 3.4Å; D702-A739 HydrophobicContact CB-CB 4.13Å; D702-A739 PolarHBondContact OD1-N 3.48Å; D702-A739 VanDerWaalsContact OD1-N 3.11Å; D702-A739 PolarHBondContact OD2-N 3.48Å
703	F	88.8	Confident	89.5	Confident	101 Å²	101	40.6 Å²	40.6	44%	0.443	23%	0.231	S	C	.	.	S	Bend	trans	-144.9	166	-175.9	59	-88.4	0	0	0	111.5	T701 S706	T701-F703 VanDerWaalsContact C-N 3.34Å; T701-F703 PolarHBondContact OG1-O 2.91Å; F703-S706 PolarHBondContact O-OG 3.24Å
704	D	91.1	Very high	89.4	Confident	75 Å²	75	41.1 Å²	41.1	40%	0.401	23%	0.233	S	C	.	.	S	Bend	trans	-80	148.7	175.7	71.7	-49.4	0	0	0	111.9	R677 C678	R677-D704 WeakPolarHBondContact CD-OD2 3.48Å; C678-D704 CarbonylContact O-C 3.54Å; C678-D704 WeakPolarHBondContact O-CA 3.4Å; C678-D704 WeakPolarHBondContact O-CB 2.79Å
705	G	92.1	Very high	89.1	Confident	14 Å²	14	43.8 Å²	43.8	14%	0.144	24%	0.238	C	C	.	.	S	Bend	trans	80.1	29.6	-178.8	0	0	0	0	0	114	G665 C678	G665-G705 WeakPolarHBondContact CA-O 3.43Å; G665-G705 VanDerWaalsContact O-CA 3.23Å; G665-G705 WeakPolarHBondContact O-CA 3.13Å; C678-G705 PolarHBondContact O-N 3.18Å
706	S	93.4	Very high	88.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-62.8	139.8	175.6	-68.6	0	0	0	0	111.7	G665 Y683 Q684 T701 F703 Q711	G665-S706 WeakPolarHBondContact CA-O 3.03Å; Y683-S706 CarbonylContact C-O 3.54Å; Y683-S706 WeakPolarHBondContact CA-O 2.93Å; Y683-S706 WeakPolarHBondContact CB-O 3.19Å; Q684-S706 PolarHBondContact N-O 2.72Å; T701-S706 WeakPolarHBondContact CB-OG 3.43Å; T701-S706 WeakPolarHBondContact CG2-OG 3.31Å; T701-S706 PolarHBondContact OG1-OG 2.89Å; F703-S706 PolarHBondContact O-OG 3.24Å; S706-Q711 PolarHBondContact OG-OE1 3.47Å
707	T	92.9	Very high	88.8	Confident	60 Å²	60	51.5 Å²	51.5	37%	0.368	28%	0.278	S	S	.	.			trans	-111.5	-14.4	-172.1	59.7	0	0	0	0	113.6	P664 Q684 G685	P664-T707 HydrophobicContact CB-CG2 3.93Å; Q684-T707 WeakPolarHBondContact O-CA 3.38Å; G685-T707 WeakPolarHBondContact CA-O 3.2Å; G685-T707 PolarHBondContact N-O 3.28Å
708	N	89.3	Confident	89.1	Confident	74 Å²	74	51 Å²	51	40%	0.396	27%	0.272	S	S	.	.			trans	-140.7	140.5	-172.6	-168	-39.6	0	0	0	110.8	M710 Q711	N708-M710 PolarHBondContact O-N 2.87Å; N708-M710 VanDerWaalsContact O-N 3.14Å; N708-M710 VanDerWaalsContact OD1-CG 3.3Å; N708-M710 WeakPolarHBondContact OD1-CG 3.05Å; N708-M710 PolarHBondContact OD1-N 2.99Å; N708-Q711 VanDerWaalsContact O-CB 3.28Å; N708-Q711 WeakPolarHBondContact O-CB 3.16Å; N708-Q711 PolarHBondContact O-N 2.01Å
709	I	88.4	Confident	89.5	Confident	25 Å²	25	46.5 Å²	46.5	13%	0.128	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-54.2	-28.6	173.2	-172.9	161.7	0	0	0	113.5	T262 L263 Y683 P696 Q711 C712	T262-I709 HydrophobicContact CG2-CD1 3.33Å; T262-I709 WeakPolarHBondContact OG1-CD1 3.31Å; L263-I709 WeakPolarHBondContact O-CD1 3.44Å; Y683-I709 HydrophobicContact CE1-CB 4.16Å; Y683-I709 HydrophobicContact CE1-CG1 4.28Å; Y683-I709 HydrophobicContact CE2-CB 3.94Å; P696-I709 HydrophobicContact CG-CD1 3.95Å; P696-I709 HydrophobicContact CG-CG1 4.28Å; I709-Q711 PolarHBondContact O-N 2.88Å; I709-C712 WeakPolarHBondContact O-CB 2.96Å; I709-C712 PolarHBondContact O-N 2.84Å
710	M	84.8	Confident	89.5	Confident	82 Å²	82	51.6 Å²	51.6	40%	0.404	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-63	-13	175.5	-62.2	-62	-64.7	0	0	113.5	G265 L266 N708	G265-M710 VanDerWaalsContact C-CE 3.46Å; G265-M710 WeakPolarHBondContact O-CE 3.46Å; L266-M710 HydrophobicContact CD2-CE 4.45Å; N708-M710 PolarHBondContact O-N 2.87Å; N708-M710 VanDerWaalsContact O-N 3.14Å; N708-M710 VanDerWaalsContact OD1-CG 3.3Å; N708-M710 WeakPolarHBondContact OD1-CG 3.05Å; N708-M710 PolarHBondContact OD1-N 2.99Å
711	Q	87.6	Confident	89.3	Confident	52 Å²	52	51.8 Å²	51.8	24%	0.243	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-89.1	-7.7	173.9	-60.8	170.8	-14.9	0	0	112.5	S706 N708 I709	S706-Q711 PolarHBondContact OG-OE1 3.47Å; N708-Q711 VanDerWaalsContact O-CB 3.28Å; N708-Q711 WeakPolarHBondContact O-CB 3.16Å; N708-Q711 PolarHBondContact O-N 2.01Å; I709-Q711 PolarHBondContact O-N 2.88Å
712	C	89.7	Confident	88.3	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.007	30%	0.298	C	S	.	.			trans	-77.1	119.4	170.6	-62.6	0	0	0	0	109.5	C695 I709	C695-C712 WeakPolarHBondContact CA-SG 3.35Å; C695-C712 HydrophobicContact CB-CB 3.65Å; C695-C712 WeakPolarHBondContact CB-SG 3.2Å; C695-C712 WeakPolarHBondContact SG-CB 3.04Å; C695-C712 CovalentContact SG-SG 2.04Å; C695-C712 PolarHBondContact SG-SG 3.1Å; I709-C712 WeakPolarHBondContact O-CB 2.96Å; I709-C712 PolarHBondContact O-N 2.84Å
713	K	89.1	Confident	87.3	Confident	16 Å²	16	57 Å²	57	7%	0.07	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-127.3	136.5	-170.8	-67.2	-178.1	-176.8	178.5	0	110.8	S700 D702 N732 N736 Y737 P738 S818	S700-K713 PolarHBondContact N-O 2.99Å; S700-K713 PolarHBondContact O-N 2.75Å; D702-K713 WeakPolarHBondContact OD2-CD 3.44Å; D702-K713 WeakPolarHBondContact OD2-CE 3.43Å; D702-K713 IonicContact OD2-NZ 3.07Å; D702-K713 PolarHBondContact OD2-NZ 3.4Å; K713-N732 WeakPolarHBondContact CA-ND2 3.45Å; K713-N732 VanDerWaalsContact CB-ND2 3.26Å; K713-N732 WeakPolarHBondContact CB-ND2 3.48Å; K713-N736 WeakPolarHBondContact CD-O 3.33Å; K713-N736 WeakPolarHBondContact CE-O 3.35Å; K713-Y737 PolarHBondContact NZ-O 2.71Å; K713-P738 HydrophobicContact CB-CB 4.31Å; K713-P738 HydrophobicContact CB-CG 3.99Å; K713-P738 HydrophobicContact CD-CB 4.29Å; K713-P738 HydrophobicContact CD-CG 4.48Å; K713-S818 PolarHBondContact NZ-OG 3.43Å
714	N	88.4	Confident	86.9	Confident	44 Å²	44	57 Å²	57	24%	0.235	31%	0.312	C	S	.	.			trans	-73.9	128.4	169.5	-171.9	-4	0	0	0	109.7	Y264 T699 Q716 P731 N732 P738	Y264-N714 HydrophobicContact CE2-CB 4.49Å; T699-N714 HydrophobicContact CG2-CB 4.18Å; N714-Q716 WeakPolarHBondContact OD1-CB 3.39Å; N714-Q716 PolarHBondContact OD1-N 3.31Å; N714-P731 WeakPolarHBondContact O-CB 3.21Å; N714-N732 VanDerWaalsContact CB-OD1 3.31Å; N714-N732 WeakPolarHBondContact CB-OD1 3.04Å; N714-N732 PolarHBondContact N-ND2 3.39Å; N714-N732 PolarHBondContact N-OD1 2.05Å; N714-P738 WeakPolarHBondContact O-CG 3.29Å
715	R	86.3	Confident	86.7	Confident	95 Å²	95	57 Å²	57	36%	0.358	32%	0.318	S	S	.	.			trans	-101	5.4	179.7	-70.5	178.8	168	-100.2	-6.6	113.7	D702 P738 A739 I741	D702-R715 IonicContact OD1-CZ 2.88Å; D702-R715 IonicContact OD1-NH2 3.81Å; D702-R715 PolarHBondContact OD1-NH2 3.4Å; R715-P738 HydrophobicContact CG-CB 3.83Å; R715-P738 HydrophobicContact CG-CG 3.89Å; R715-A739 PolarHBondContact NH1-O 2.73Å; R715-A739 PolarHBondContact NH2-O 2.75Å; R715-A739 VanDerWaalsContact NH2-O 3.1Å; R715-I741 HydrophobicContact CB-CD1 4.17Å; R715-I741 WeakPolarHBondContact O-CD1 3.3Å
716	Q	86.8	Confident	86.4	Confident	128 Å²	128	57.3 Å²	57.3	60%	0.598	32%	0.321	S	S	*	.			trans	-90.6	128.4	177.6	-59.2	-172.9	-0.1	0	0	110.7	N698 N714	N698-Q716 PolarHBondContact ND2-NE2 3.11Å; N714-Q716 WeakPolarHBondContact OD1-CB 3.39Å; N714-Q716 PolarHBondContact OD1-N 3.31Å
717	C	90.5	Very high	86.2	Confident	46 Å²	46	60.1 Å²	60.1	31%	0.311	33%	0.333	S	S	.	.			trans	-162	168.5	176.4	57.1	0	0	0	0	111.2	P731 C743 W745	C717-P731 HydrophobicContact CB-CG 3.94Å; C717-C743 HydrophobicContact CB-CB 3.7Å; C717-C743 WeakPolarHBondContact CB-SG 3.45Å; C717-C743 WeakPolarHBondContact SG-CA 3.19Å; C717-C743 WeakPolarHBondContact SG-CB 3.05Å; C717-C743 CovalentContact SG-SG 2.01Å; C717-C743 PolarHBondContact SG-SG 3.3Å; C717-W745 HydrophobicContact CB-CZ2 4.16Å
718	G	89.6	Confident	86.1	Confident	34 Å²	34	57.4 Å²	57.4	35%	0.351	32%	0.316	S	S	.	.			trans	95	178.9	-179.7	0	0	0	0	0	114.3	T744 W745	G718-T744 CarbonylContact C-O 3.59Å; G718-T744 WeakPolarHBondContact CA-O 3.12Å; G718-W745 VanDerWaalsContact CA-NE1 3.35Å
719	G	90.8	Very high	86.2	Confident	37 Å²	37	56.7 Å²	56.7	38%	0.381	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	134.8	179.1	176.5	0	0	0	0	0	114.6	T744 W745 T746	G719-T744 PolarHBondContact N-O 2.82Å; G719-W745 VanDerWaalsContact O-CA 3.3Å; G719-W745 WeakPolarHBondContact O-CA 3.03Å; G719-T746 PolarHBondContact O-N 3.19Å; G719-T746 VanDerWaalsContact O-N 3.09Å
720	E	90.3	Very high	86.3	Confident	120 Å²	120	55.5 Å²	55.5	56%	0.561	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	127.8	175.4	-63.1	-72.6	134.4	0	0	109.7	T746 N748	E720-T746 VanDerWaalsContact CD-CB 3.47Å; E720-T746 WeakPolarHBondContact OE1-CB 3.32Å; E720-T746 PolarHBondContact OE1-OG1 2.86Å; E720-T746 WeakPolarHBondContact OE2-CB 3.33Å; E720-N748 PolarHBondContact OE2-ND2 2.87Å
721	L	87.2	Confident	86.5	Confident	40 Å²	40	52 Å²	52	21%	0.209	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	147	-173.9	-62.8	175.1	0	0	0	111.7	I728 W745 T746 I747 N748 Y826	L721-I728 HydrophobicContact CD1-CD1 4Å; L721-I728 HydrophobicContact CD1-CG1 3.39Å; L721-W745 HydrophobicContact CD1-CB 4.08Å; L721-W745 HydrophobicContact CD1-CG 4.29Å; L721-T746 PolarHBondContact N-O 3.13Å; L721-I747 HydrophobicContact CB-CG1 4.22Å; L721-I747 HydrophobicContact CD1-CG1 4.16Å; L721-N748 PolarHBondContact O-N 3.28Å; L721-Y826 HydrophobicContact CB-CE1 4.2Å; L721-Y826 HydrophobicContact CD1-CE1 4Å
722	G	70	Confident	86.6	Confident	41 Å²	41	50 Å²	50	42%	0.423	28%	0.278	S	S	.	.			trans	-81	-164	-163.7	0	0	0	0	0	117.9	Y826	G722-Y826 PolarHBondContact N-OH 2.97Å
723	E	66.6	Low	86.4	Confident	113 Å²	113	51.8 Å²	51.8	53%	0.528	29%	0.285	S	S	.	.	S	Bend	trans	-81.7	-36	-154.1	-73	-170.5	164.1	0	0	117	P750 T828	E723-P750 HydrophobicContact CB-CG 3.47Å; E723-P750 VanDerWaalsContact CB-CG 3.47Å; E723-P750 HydrophobicContact CG-CG 3.65Å; E723-P750 WeakPolarHBondContact O-CD 3.31Å; E723-T828 VanDerWaalsContact O-CG2 3.31Å; E723-T828 WeakPolarHBondContact O-CG2 3.07Å; E723-T828 PolarHBondContact O-OG1 3.04Å
724	F	80	Confident	86.1	Confident	101 Å²	101	52.4 Å²	52.4	44%	0.443	29%	0.29	S	S	.	.	S	Bend	trans	-118	-47.2	-166.7	-61.2	-76.3	0	0	0	114.7	V827 T828	F724-V827 CarbonylContact O-C 3.47Å; F724-T828 VanDerWaalsContact CA-OG1 3.31Å; F724-T828 WeakPolarHBondContact CA-OG1 3.01Å; F724-T828 PolarHBondContact O-N 2.64Å; F724-T828 PolarHBondContact O-OG1 2.9Å
725	S	87.3	Confident	85.8	Confident	73 Å²	73	50.5 Å²	50.5	51%	0.51	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	162.3	177.1	58.8	0	0	0	0	110.6	Y826	S725-Y826 CarbonylContact C-O 3.52Å; S725-Y826 VanDerWaalsContact CA-O 3.25Å; S725-Y826 WeakPolarHBondContact CA-O 3.45Å; S725-Y826 WeakPolarHBondContact CB-O 3.33Å
726	G	86.4	Confident	85.9	Confident	22 Å²	22	49.8 Å²	49.8	23%	0.227	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.3	-163.3	175.2	0	0	0	0	0	111.5	Y826	G726-Y826 VanDerWaalsContact C-CD1 3.42Å; G726-Y826 PolarHBondContact N-O 3.3Å; G726-Y826 WeakPolarHBondContact O-CD1 3.03Å; G726-Y826 PolarHBondContact O-N 2.81Å
727	Y	87.3	Confident	86.1	Confident	59 Å²	59	43.7 Å²	43.7	23%	0.231	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	160.3	177.9	60.1	-84.8	0	0	0	110.3	R240 E729 Q823 V824	R240-Y727 WeakPolarHBondContact CD-OH 3.41Å; R240-Y727 PolarHBondContact NH1-OH 2.83Å; Y727-E729 HydrophobicContact CD2-CG 4.44Å; Y727-E729 HydrophobicContact CE2-CG 4.36Å; Y727-E729 WeakPolarHBondContact CE2-OE2 3.36Å; Y727-Q823 HydrophobicContact CD2-CG 4.34Å; Y727-V824 CarbonylContact C-O 3.58Å; Y727-V824 WeakPolarHBondContact CA-O 3.48Å
728	I	91.6	Very high	86.1	Confident	3 Å²	3	41.5 Å²	41.5	2%	0.015	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.3	174	-63.9	148.7	0	0	0	105.5	L721 W745 I747 I809 F822 Q823 V824 Y826	L721-I728 HydrophobicContact CD1-CD1 4Å; L721-I728 HydrophobicContact CD1-CG1 3.39Å; I728-W745 HydrophobicContact CG1-CG 4.39Å; I728-W745 HydrophobicContact CG2-CD2 3.52Å; I728-W745 HydrophobicContact CG2-CE3 3.73Å; I728-W745 HydrophobicContact CG2-CG 4.05Å; I728-W745 HydrophobicContact CG2-CH2 3.89Å; I728-W745 HydrophobicContact CG2-CZ2 3.74Å; I728-W745 HydrophobicContact CG2-CZ3 3.9Å; I728-I747 HydrophobicContact CD1-CD1 4.07Å; I728-I809 HydrophobicContact CD1-CD1 3.27Å; I728-F822 HydrophobicContact CG2-CE2 4.3Å; I728-Q823 CarbonylContact O-C 3.55Å; I728-Q823 WeakPolarHBondContact O-CA 3.49Å; I728-V824 PolarHBondContact N-O 2.96Å; I728-V824 PolarHBondContact O-N 3.1Å; I728-Y826 HydrophobicContact CD1-CD1 4.49Å
729	E	90.8	Very high	86	Confident	59 Å²	59	40.3 Å²	40.3	28%	0.276	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	146.1	179.4	65.8	-165.1	177.4	0	0	111.2	Y727 W745 F822 Q823	Y727-E729 HydrophobicContact CD2-CG 4.44Å; Y727-E729 HydrophobicContact CE2-CG 4.36Å; Y727-E729 WeakPolarHBondContact CE2-OE2 3.36Å; E729-W745 WeakPolarHBondContact O-CZ2 3.37Å; E729-F822 VanDerWaalsContact CA-O 3.26Å; E729-F822 WeakPolarHBondContact CA-O 3.5Å; E729-Q823 HydrophobicContact CB-CB 4.35Å; E729-Q823 HydrophobicContact CB-CG 4.3Å; E729-Q823 PolarHBondContact OE2-NE2 3.49Å
730	S	91.8	Very high	85.9	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.233	C	C	.	.			trans	-64.8	144.1	166	56.5	0	0	0	0	109.5	N732 Y733 G821 F822	S730-N732 PolarHBondContact O-N 3.1Å; S730-Y733 WeakPolarHBondContact O-CB 3.46Å; S730-Y733 PolarHBondContact O-N 3.3Å; S730-Y733 VanDerWaalsContact O-N 3.13Å; S730-G821 VanDerWaalsContact OG-CA 3.28Å; S730-G821 WeakPolarHBondContact OG-CA 3.37Å; S730-F822 PolarHBondContact N-O 3.31Å; S730-F822 PolarHBondContact OG-N 2.84Å; S730-F822 PolarHBondContact OG-O 3.3Å
731	P	89.6	Confident	85.9	Confident	8 Å²	8	37.6 Å²	37.6	5%	0.052	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	138.2	179.1	-4.1	1.2	0	0	0	112.4	N714 C717 Y733 Y737 P738 I741	N714-P731 WeakPolarHBondContact O-CB 3.21Å; C717-P731 HydrophobicContact CB-CG 3.94Å; P731-Y733 VanDerWaalsContact C-N 3.28Å; P731-Y733 PolarHBondContact O-N 2.8Å; P731-Y737 WeakPolarHBondContact O-CA 3.04Å; P731-P738 HydrophobicContact CB-CG 4.22Å; P731-P738 HydrophobicContact CG-CG 4.3Å; P731-I741 HydrophobicContact CG-CD1 3.69Å
732	N	87.9	Confident	86.2	Confident	9 Å²	9	41.1 Å²	41.1	5%	0.048	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	6.6	-176.8	-43.3	-57.4	0	0	0	116.9	K713 N714 S730 G735 N736	K713-N732 WeakPolarHBondContact CA-ND2 3.45Å; K713-N732 VanDerWaalsContact CB-ND2 3.26Å; K713-N732 WeakPolarHBondContact CB-ND2 3.48Å; N714-N732 VanDerWaalsContact CB-OD1 3.31Å; N714-N732 WeakPolarHBondContact CB-OD1 3.04Å; N714-N732 PolarHBondContact N-ND2 3.39Å; N714-N732 PolarHBondContact N-OD1 2.05Å; S730-N732 PolarHBondContact O-N 3.1Å; N732-G735 CarbonylContact O-C 3.58Å; N732-G735 WeakPolarHBondContact O-CA 3.39Å; N732-G735 PolarHBondContact O-N 2.97Å; N732-N736 PolarHBondContact ND2-O 2.93Å
733	Y	87.2	Confident	87.3	Confident	39 Å²	39	39.2 Å²	39.2	15%	0.153	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	136.2	174.5	-176.9	-91.2	0	0	0	110.6	H268 S730 P731 G735 K820 F822 Q823	H268-Y733 PolarHBondContact NE2-O 3.33Å; S730-Y733 WeakPolarHBondContact O-CB 3.46Å; S730-Y733 PolarHBondContact O-N 3.3Å; S730-Y733 VanDerWaalsContact O-N 3.13Å; P731-Y733 VanDerWaalsContact C-N 3.28Å; P731-Y733 PolarHBondContact O-N 2.8Å; Y733-G735 VanDerWaalsContact C-N 3.33Å; Y733-K820 VanDerWaalsContact CD2-O 3.26Å; Y733-K820 WeakPolarHBondContact CD2-O 3.49Å; Y733-F822 VanDerWaalsContact CD2-C 3.46Å; Y733-Q823 HydrophobicContact CD1-CB 3.7Å; Y733-Q823 HydrophobicContact CD1-CG 4.49Å; Y733-Q823 HydrophobicContact CD2-CB 4.49Å; Y733-Q823 HydrophobicContact CE1-CB 3.43Å; Y733-Q823 VanDerWaalsContact CE1-CB 3.43Å; Y733-Q823 HydrophobicContact CE1-CG 4.35Å; Y733-Q823 HydrophobicContact CE2-CB 4.3Å; Y733-Q823 HydrophobicContact CG-CB 4.23Å
734	P	81.2	Confident	88.7	Confident	29 Å²	29	36.1 Å²	36.1	19%	0.188	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	cis	-82.8	11.4	6.8	31.2	-31.4	0	0	0	116	F253 L266	F253-P734 HydrophobicContact CZ-CG 4.31Å; L266-P734 HydrophobicContact CB-CG 3.88Å; L266-P734 HydrophobicContact CD1-CB 4.3Å; L266-P734 HydrophobicContact CD1-CG 4.14Å; L266-P734 WeakPolarHBondContact CD1-O 3.4Å
735	G	82.9	Confident	89.4	Confident	5 Å²	5	32 Å²	32	5%	0.052	18%	0.175	C	C	.	.	S	Bend	trans	-87	-178.6	174.9	0	0	0	0	0	114.5	N732 Y733 K820	N732-G735 CarbonylContact O-C 3.58Å; N732-G735 WeakPolarHBondContact O-CA 3.39Å; N732-G735 PolarHBondContact O-N 2.97Å; Y733-G735 VanDerWaalsContact C-N 3.33Å; G735-K820 CarbonylContact O-C 3.56Å
736	N	88.3	Confident	89.6	Confident	79 Å²	79	29.4 Å²	29.4	42%	0.422	16%	0.156	S	C	.	.	P	Polyproline II helix	trans	-72.9	128.6	-172.6	-75.9	-11.9	0	0	0	112.9	K713 N732 S818 A819 K820	K713-N736 WeakPolarHBondContact CD-O 3.33Å; K713-N736 WeakPolarHBondContact CE-O 3.35Å; N732-N736 PolarHBondContact ND2-O 2.93Å; N736-S818 WeakPolarHBondContact CB-OG 3.27Å; N736-A819 VanDerWaalsContact CA-O 3.26Å; N736-A819 WeakPolarHBondContact CA-O 3.16Å; N736-A819 VanDerWaalsContact OD1-C 3.22Å; N736-K820 PolarHBondContact OD1-N 3.49Å
737	Y	90.6	Very high	89.9	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-74.2	156.4	178.6	55.9	-102.9	0	0	0	113.3	K713 P731 L764 P765 D772 F811 S818 A819	K713-Y737 PolarHBondContact NZ-O 2.71Å; P731-Y737 WeakPolarHBondContact O-CA 3.04Å; Y737-L764 HydrophobicContact CE1-CD2 3.96Å; Y737-L764 WeakPolarHBondContact OH-CD2 3.09Å; Y737-P765 WeakPolarHBondContact OH-CD 3.41Å; Y737-D772 VanDerWaalsContact CE2-OD2 3.26Å; Y737-D772 WeakPolarHBondContact CE2-OD2 3.34Å; Y737-D772 VanDerWaalsContact CZ-OD2 3.3Å; Y737-D772 PolarHBondContact OH-OD2 3.37Å; Y737-F811 HydrophobicContact CD1-CZ 4.06Å; Y737-F811 HydrophobicContact CD2-CE1 4.11Å; Y737-F811 AromaticContact CD2-CZ 3.76Å; Y737-F811 HydrophobicContact CD2-CZ 3.76Å; Y737-F811 HydrophobicContact CE1-CZ 4.04Å; Y737-F811 AromaticContact CE2-CZ 3.75Å; Y737-F811 HydrophobicContact CE2-CZ 3.75Å; Y737-F811 HydrophobicContact CG-CE1 4.11Å; Y737-F811 AromaticContact CG-CZ 3.91Å; Y737-F811 HydrophobicContact CG-CZ 3.91Å; Y737-F811 AromaticContact CZ-CZ 3.86Å; Y737-S818 PolarHBondContact N-OG 2.96Å; Y737-S818 WeakPolarHBondContact O-CB 3.01Å; Y737-S818 PolarHBondContact O-OG 3.11Å; Y737-A819 WeakPolarHBondContact CD1-O 3.47Å; Y737-A819 HydrophobicContact CE1-CB 4.01Å; Y737-A819 VanDerWaalsContact CE1-O 3.23Å; Y737-A819 WeakPolarHBondContact CE1-O 3.38Å; Y737-A819 PolarHBondContact N-O 2.8Å
738	P	89.8	Confident	90	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-67.7	152	-180	-11.3	23.1	0	0	0	113.9	K713 N714 R715 P731 I741 S813	K713-P738 HydrophobicContact CB-CB 4.31Å; K713-P738 HydrophobicContact CB-CG 3.99Å; K713-P738 HydrophobicContact CD-CB 4.29Å; K713-P738 HydrophobicContact CD-CG 4.48Å; N714-P738 WeakPolarHBondContact O-CG 3.29Å; R715-P738 HydrophobicContact CG-CB 3.83Å; R715-P738 HydrophobicContact CG-CG 3.89Å; P731-P738 HydrophobicContact CB-CG 4.22Å; P731-P738 HydrophobicContact CG-CG 4.3Å; P738-I741 HydrophobicContact CB-CB 4.48Å; P738-I741 HydrophobicContact CB-CD1 4.35Å; P738-I741 HydrophobicContact CG-CD1 3.86Å; P738-S813 PolarHBondContact O-OG 2.89Å
739	A	88.9	Confident	89.9	Confident	10 Å²	10	29 Å²	29	8%	0.083	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	149.5	168.8	0	0	0	0	0	111.2	D702 R715 I741 N814	D702-A739 HydrophobicContact CB-CB 4.13Å; D702-A739 PolarHBondContact OD1-N 3.48Å; D702-A739 VanDerWaalsContact OD1-N 3.11Å; D702-A739 PolarHBondContact OD2-N 3.48Å; R715-A739 PolarHBondContact NH1-O 2.73Å; R715-A739 PolarHBondContact NH2-O 2.75Å; R715-A739 VanDerWaalsContact NH2-O 3.1Å; A739-I741 PolarHBondContact O-N 3.5Å; A739-N814 CarbonylContact C-O 3.45Å; A739-N814 WeakPolarHBondContact CA-O 3.34Å; A739-N814 WeakPolarHBondContact CB-O 3.07Å
740	N	87.9	Confident	89.7	Confident	88 Å²	88	27.1 Å²	27.1	47%	0.471	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	46.4	-178.8	-61.7	-46.1	0	0	0	113.5	S813 N814 E815	N740-S813 PolarHBondContact N-OG 2.88Å; N740-S813 VanDerWaalsContact N-OG 3.12Å; N740-N814 PolarHBondContact N-O 3.48Å; N740-N814 PolarHBondContact OD1-O 3.38Å; N740-E815 WeakPolarHBondContact ND2-CG 3.18Å; N740-E815 WeakPolarHBondContact OD1-CA 2.97Å; N740-E815 VanDerWaalsContact OD1-CG 3.27Å; N740-E815 WeakPolarHBondContact OD1-CG 3.01Å; N740-E815 PolarHBondContact OD1-N 3.28Å
741	I	90.7	Very high	89.4	Confident	12 Å²	12	33 Å²	33	6%	0.062	19%	0.185	C	C	.	.			trans	-108.5	145.5	175.6	-158.4	159.6	0	0	0	111.3	R715 P731 P738 A739 F811 R812 S813	R715-I741 HydrophobicContact CB-CD1 4.17Å; R715-I741 WeakPolarHBondContact O-CD1 3.3Å; P731-I741 HydrophobicContact CG-CD1 3.69Å; P738-I741 HydrophobicContact CB-CB 4.48Å; P738-I741 HydrophobicContact CB-CD1 4.35Å; P738-I741 HydrophobicContact CG-CD1 3.86Å; A739-I741 PolarHBondContact O-N 3.5Å; I741-F811 HydrophobicContact CG2-CD1 4.4Å; I741-F811 HydrophobicContact CG2-CE1 4.04Å; I741-R812 CarbonylContact O-C 3.58Å; I741-R812 WeakPolarHBondContact O-CA 3.38Å; I741-S813 WeakPolarHBondContact CG2-OG 3.37Å; I741-S813 PolarHBondContact N-OG 2.84Å; I741-S813 PolarHBondContact O-N 3.41Å
742	E	92.9	Very high	89.2	Confident	114 Å²	114	39.7 Å²	39.7	53%	0.533	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	115.6	170.9	-174.2	174.7	-177	0	0	108.8	Q810 F811	E742-Q810 PolarHBondContact OE1-NE2 2.86Å; E742-F811 CarbonylContact C-O 3.57Å; E742-F811 WeakPolarHBondContact CA-O 3.27Å
743	C	94.6	Very high	89.3	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.3	179.2	-53.4	0	0	0	0	109.1	C717 W745 Q810 F811	C717-C743 HydrophobicContact CB-CB 3.7Å; C717-C743 WeakPolarHBondContact CB-SG 3.45Å; C717-C743 WeakPolarHBondContact SG-CA 3.19Å; C717-C743 WeakPolarHBondContact SG-CB 3.05Å; C717-C743 CovalentContact SG-SG 2.01Å; C717-C743 PolarHBondContact SG-SG 3.3Å; C743-W745 HydrophobicContact CB-CE3 4.17Å; C743-W745 HydrophobicContact CB-CH2 3.13Å; C743-W745 HydrophobicContact CB-CZ2 3.66Å; C743-W745 HydrophobicContact CB-CZ3 3.42Å; C743-W745 VanDerWaalsContact CB-CZ3 3.42Å; C743-Q810 CarbonylContact O-C 3.5Å; C743-Q810 WeakPolarHBondContact O-CA 3.46Å; C743-F811 HydrophobicContact CB-CB 4.24Å; C743-F811 HydrophobicContact CB-CD1 4.43Å; C743-F811 PolarHBondContact N-O 2.86Å; C743-F811 PolarHBondContact O-N 2.69Å
744	T	94.9	Very high	89.4	Confident	49 Å²	49	41.7 Å²	41.7	30%	0.301	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.9	178.7	-60.3	0	0	0	0	110.6	G718 G719 W808 I809	G718-T744 CarbonylContact C-O 3.59Å; G718-T744 WeakPolarHBondContact CA-O 3.12Å; G719-T744 PolarHBondContact N-O 2.82Å; T744-W808 HydrophobicContact CG2-CZ2 3.88Å; T744-I809 CarbonylContact C-O 3.6Å; T744-I809 WeakPolarHBondContact CA-O 3.42Å
745	W	94.8	Very high	89.7	Confident	14 Å²	14	40.3 Å²	40.3	5%	0.053	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	144.2	175.8	-57.7	-94.1	0	0	0	111.6	C717 G718 G719 L721 I728 E729 C743 I809 F811	C717-W745 HydrophobicContact CB-CZ2 4.16Å; G718-W745 VanDerWaalsContact CA-NE1 3.35Å; G719-W745 VanDerWaalsContact O-CA 3.3Å; G719-W745 WeakPolarHBondContact O-CA 3.03Å; L721-W745 HydrophobicContact CD1-CB 4.08Å; L721-W745 HydrophobicContact CD1-CG 4.29Å; I728-W745 HydrophobicContact CG1-CG 4.39Å; I728-W745 HydrophobicContact CG2-CD2 3.52Å; I728-W745 HydrophobicContact CG2-CE3 3.73Å; I728-W745 HydrophobicContact CG2-CG 4.05Å; I728-W745 HydrophobicContact CG2-CH2 3.89Å; I728-W745 HydrophobicContact CG2-CZ2 3.74Å; I728-W745 HydrophobicContact CG2-CZ3 3.9Å; E729-W745 WeakPolarHBondContact O-CZ2 3.37Å; C743-W745 HydrophobicContact CB-CE3 4.17Å; C743-W745 HydrophobicContact CB-CH2 3.13Å; C743-W745 HydrophobicContact CB-CZ2 3.66Å; C743-W745 HydrophobicContact CB-CZ3 3.42Å; C743-W745 VanDerWaalsContact CB-CZ3 3.42Å; W745-I809 HydrophobicContact CB-CB 4.35Å; W745-I809 HydrophobicContact CE3-CB 4.42Å; W745-I809 HydrophobicContact CE3-CG2 4.02Å; W745-I809 PolarHBondContact N-O 2.04Å; W745-I809 PolarHBondContact O-N 2.83Å; W745-F811 HydrophobicContact CH2-CB 4.21Å; W745-F811 HydrophobicContact CZ3-CB 3.8Å
746	T	92.4	Very high	90	Very high	18 Å²	18	40.1 Å²	40.1	11%	0.11	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	124.2	172	-44.7	0	0	0	0	109.6	G719 E720 L721 N748	G719-T746 PolarHBondContact O-N 3.19Å; G719-T746 VanDerWaalsContact O-N 3.09Å; E720-T746 VanDerWaalsContact CD-CB 3.47Å; E720-T746 WeakPolarHBondContact OE1-CB 3.32Å; E720-T746 PolarHBondContact OE1-OG1 2.86Å; E720-T746 WeakPolarHBondContact OE2-CB 3.33Å; L721-T746 PolarHBondContact N-O 3.13Å; T746-N748 WeakPolarHBondContact CG2-OD1 3.42Å
747	I	92	Very high	90	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	119.6	173.3	-58.3	171.8	0	0	0	108.9	L721 I728 P749 V755 I757 L807 I809 Y826	L721-I747 HydrophobicContact CB-CG1 4.22Å; L721-I747 HydrophobicContact CD1-CG1 4.16Å; I728-I747 HydrophobicContact CD1-CD1 4.07Å; I747-P749 WeakPolarHBondContact O-CD 3.33Å; I747-V755 HydrophobicContact CD1-CG1 4.26Å; I747-V755 HydrophobicContact CG2-CG1 4.36Å; I747-V755 HydrophobicContact CG2-CG2 4.01Å; I747-I757 HydrophobicContact CD1-CD1 3.96Å; I747-L807 HydrophobicContact CB-CB 4.45Å; I747-L807 HydrophobicContact CD1-CD2 4.39Å; I747-L807 PolarHBondContact N-O 3.45Å; I747-L807 PolarHBondContact O-N 2.67Å; I747-I809 HydrophobicContact CD1-CD1 3.92Å; I747-I809 HydrophobicContact CG1-CD1 4.44Å; I747-Y826 HydrophobicContact CD1-CD1 3.97Å; I747-Y826 HydrophobicContact CD1-CD2 4.05Å; I747-Y826 HydrophobicContact CD1-CG 3.73Å; I747-Y826 HydrophobicContact CG2-CD2 4Å; I747-Y826 HydrophobicContact CG2-CE2 3.94Å
748	N	89.1	Confident	89.7	Confident	52 Å²	52	36.4 Å²	36.4	28%	0.278	19%	0.189	S	C	.	.			trans	-116.5	92.3	178.3	-64.2	-34	0	0	0	110.7	E720 L721 T746 R806	E720-N748 PolarHBondContact OE2-ND2 2.87Å; L721-N748 PolarHBondContact O-N 3.28Å; T746-N748 WeakPolarHBondContact CG2-OD1 3.42Å; N748-R806 VanDerWaalsContact OD1-CZ 3.22Å; N748-R806 PolarHBondContact OD1-NE 3.35Å; N748-R806 PolarHBondContact OD1-NH2 3.44Å
749	P	88.8	Confident	89.5	Confident	23 Å²	23	36.4 Å²	36.4	15%	0.149	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-73.5	157.2	177.7	30.7	-34.5	0	0	0	112.2	I747 R753 V755 K805 T828	I747-P749 WeakPolarHBondContact O-CD 3.33Å; P749-R753 HydrophobicContact CB-CB 4.24Å; P749-V755 HydrophobicContact CB-CG2 4.37Å; P749-V755 HydrophobicContact CG-CG2 3.88Å; P749-K805 WeakPolarHBondContact CD-O 3.24Å; P749-K805 WeakPolarHBondContact CG-O 3.34Å; P749-T828 HydrophobicContact CB-CG2 3.86Å
750	P	86.4	Confident	89	Confident	21 Å²	21	37 Å²	37	14%	0.136	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-57.3	161.1	170.8	-24.4	34.1	0	0	0	112.4	E723 R753	E723-P750 HydrophobicContact CB-CG 3.47Å; E723-P750 VanDerWaalsContact CB-CG 3.47Å; E723-P750 HydrophobicContact CG-CG 3.65Å; E723-P750 WeakPolarHBondContact O-CD 3.31Å; P750-R753 PolarHBondContact O-N 2.98Å
751	P	86	Confident	88.8	Confident	123 Å²	123	34.3 Å²	34.3	80%	0.799	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	143.2	172	24	-33.6	0	0	0	111.6	R753	P751-R753 VanDerWaalsContact C-N 3.29Å; P751-R753 PolarHBondContact O-N 3.18Å
752	K	86.6	Confident	88.6	Confident	148 Å²	148	33.7 Å²	33.7	64%	0.643	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.1	16.8	-175.9	-57.6	-173.7	171.8	-168.3	0	116.3	E831	K752-E831 PolarHBondContact O-N 3.36Å
753	R	89	Confident	88.5	Confident	38 Å²	38	30 Å²	30	14%	0.143	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	148.1	172.8	-68.5	-171.6	126.3	96.1	0.9	112.6	P749 P750 P751 T828 Y829 H871	P749-R753 HydrophobicContact CB-CB 4.24Å; P750-R753 PolarHBondContact O-N 2.98Å; P751-R753 VanDerWaalsContact C-N 3.29Å; P751-R753 PolarHBondContact O-N 3.18Å; R753-T828 WeakPolarHBondContact CD-OG1 3.3Å; R753-Y829 CarbonylContact C-O 3.12Å; R753-Y829 WeakPolarHBondContact CA-O 3.36Å; R753-Y829 WeakPolarHBondContact CB-O 3.46Å; R753-H871 PolarHBondContact NH2-NE2 2.04Å
754	R	88.6	Confident	88.2	Confident	52 Å²	52	30 Å²	30	20%	0.196	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	163	172.5	-81.3	173.9	-175.1	-88.3	7.1	110.8	T828 Y829 E831	R754-T828 CarbonylContact O-C 3.52Å; R754-T828 WeakPolarHBondContact O-CA 3.45Å; R754-T828 WeakPolarHBondContact O-CB 3.37Å; R754-Y829 HydrophobicContact CB-CD1 4.48Å; R754-Y829 HydrophobicContact CB-CE1 3.85Å; R754-Y829 HydrophobicContact CB-CE2 3.95Å; R754-Y829 PolarHBondContact N-O 3.25Å; R754-Y829 PolarHBondContact O-N 2.81Å; R754-E831 HydrophobicContact CG-CG 3.66Å
755	V	89.4	Confident	87.8	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129	-179.3	-173.2	0	0	0	0	109.8	I747 P749 I757 T801 S802	I747-V755 HydrophobicContact CD1-CG1 4.26Å; I747-V755 HydrophobicContact CG2-CG1 4.36Å; I747-V755 HydrophobicContact CG2-CG2 4.01Å; P749-V755 HydrophobicContact CB-CG2 4.37Å; P749-V755 HydrophobicContact CG-CG2 3.88Å; V755-I757 HydrophobicContact CG1-CD1 3.71Å; V755-I757 HydrophobicContact CG1-CG1 4.22Å; V755-T801 WeakPolarHBondContact O-CA 3.1Å; V755-S802 PolarHBondContact O-N 3.14Å
756	L	88.1	Confident	86.9	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	125.1	165.7	174	65.6	0	0	0	108	V758 A799 T801 Y826 V827 Y829 I837 V841 L869	L756-V758 HydrophobicContact CG-CG2 4.35Å; L756-A799 HydrophobicContact CD1-CB 4.3Å; L756-T801 HydrophobicContact CD1-CG2 3.98Å; L756-Y826 WeakPolarHBondContact O-CA 3.44Å; L756-V827 HydrophobicContact CB-CG1 3.81Å; L756-V827 HydrophobicContact CD2-CG1 3.8Å; L756-V827 HydrophobicContact CG-CG1 4.09Å; L756-V827 PolarHBondContact N-O 3.38Å; L756-V827 PolarHBondContact O-N 3.12Å; L756-Y829 HydrophobicContact CB-CD1 3.84Å; L756-Y829 HydrophobicContact CB-CE1 3.8Å; L756-I837 HydrophobicContact CD1-CG2 4.25Å; L756-I837 HydrophobicContact CD2-CG2 4.13Å; L756-V841 HydrophobicContact CD1-CG2 3.89Å; L756-L869 HydrophobicContact CD2-CB 4.23Å; L756-L869 HydrophobicContact CD2-CD1 3.8Å; L756-L869 HydrophobicContact CD2-CD2 4.5Å; L756-L869 HydrophobicContact CD2-CG 4.41Å
757	I	88.4	Confident	86	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	136.4	175	-59.3	-61.3	0	0	0	108.5	I747 V755 V759 M776 A799 F800 L807 V824	I747-I757 HydrophobicContact CD1-CD1 3.96Å; V755-I757 HydrophobicContact CG1-CD1 3.71Å; V755-I757 HydrophobicContact CG1-CG1 4.22Å; I757-V759 HydrophobicContact CG2-CG2 3.88Å; I757-M776 HydrophobicContact CG2-CE 4.44Å; I757-M776 HydrophobicContact CG2-SD 4.34Å; I757-A799 CarbonylContact O-C 3.53Å; I757-A799 WeakPolarHBondContact O-CA 3.39Å; I757-A799 WeakPolarHBondContact O-CB 3.01Å; I757-F800 HydrophobicContact CB-CD2 4.3Å; I757-F800 HydrophobicContact CB-CE1 4.15Å; I757-F800 HydrophobicContact CB-CE2 3.84Å; I757-F800 HydrophobicContact CB-CZ 3.76Å; I757-F800 HydrophobicContact CG1-CE2 3.94Å; I757-F800 HydrophobicContact CG1-CZ 4.17Å; I757-F800 HydrophobicContact CG2-CE1 3.97Å; I757-F800 HydrophobicContact CG2-CE2 4.31Å; I757-F800 HydrophobicContact CG2-CZ 3.72Å; I757-F800 PolarHBondContact N-O 3.2Å; I757-F800 PolarHBondContact O-N 2.93Å; I757-L807 HydrophobicContact CD1-CD2 3.62Å; I757-L807 HydrophobicContact CG1-CD2 3.59Å; I757-V824 HydrophobicContact CG2-CG1 3.53Å
758	V	84.8	Confident	84.6	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	113.7	173.2	-175	0	0	0	0	107.7	L756 P760 A799 L825 L856 F866	L756-V758 HydrophobicContact CG-CG2 4.35Å; V758-P760 WeakPolarHBondContact O-CD 3.36Å; V758-A799 HydrophobicContact CG2-CB 4Å; V758-L825 HydrophobicContact CB-CB 4.41Å; V758-L825 PolarHBondContact N-O 3.22Å; V758-L825 PolarHBondContact O-N 3.47Å; V758-L856 HydrophobicContact CG1-CD2 3.79Å; V758-F866 HydrophobicContact CB-CE1 4.15Å; V758-F866 HydrophobicContact CB-CZ 4.03Å; V758-F866 HydrophobicContact CG1-CE1 4.44Å; V758-F866 HydrophobicContact CG2-CE1 3.73Å; V758-F866 HydrophobicContact CG2-CZ 4Å
759	V	84.6	Confident	83.9	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	106.2	178.1	-179.4	0	0	0	0	107	I757 I762 P797 I798 F800 V824	I757-V759 HydrophobicContact CG2-CG2 3.88Å; V759-I762 HydrophobicContact CG1-CD1 3.44Å; V759-I762 VanDerWaalsContact CG1-CD1 3.44Å; V759-I762 HydrophobicContact CG1-CG1 3.54Å; V759-P797 CarbonylContact O-C 3.59Å; V759-P797 WeakPolarHBondContact O-CA 3.22Å; V759-I798 PolarHBondContact N-O 3.2Å; V759-I798 PolarHBondContact O-N 3.06Å; V759-F800 HydrophobicContact CG2-CE1 4.15Å; V759-V824 HydrophobicContact CG1-CG2 4.24Å; V759-V824 HydrophobicContact CG2-CG1 3.99Å; V759-V824 HydrophobicContact CG2-CG2 4.1Å
760	P	78.6	Confident	83.4	Confident	21 Å²	21	52.4 Å²	52.4	14%	0.136	27%	0.267	C	S	.	.			trans	-71.5	-53.2	179	-16.8	31.6	0	0	0	111.7	V758 R796 P797 Q823 L825	V758-P760 WeakPolarHBondContact O-CD 3.36Å; P760-R796 CarbonylContact O-C 3.53Å; P760-P797 VanDerWaalsContact O-CA 3.27Å; P760-P797 WeakPolarHBondContact O-CA 3.29Å; P760-Q823 WeakPolarHBondContact CD-O 3.05Å; P760-L825 HydrophobicContact CG-CD1 4.13Å
761	E	83.7	Confident	83.2	Confident	32 Å²	32	52.2 Å²	52.2	15%	0.15	27%	0.269	C	S	.	.			trans	-158.4	151.4	179.1	57.5	-170.4	-167.5	0	0	109.6	Y763 Y794	E761-Y763 HydrophobicContact CB-CE2 4.3Å; E761-Y763 VanDerWaalsContact CD-CE2 3.48Å; E761-Y763 HydrophobicContact CG-CE2 3.79Å; E761-Y763 WeakPolarHBondContact OE1-CE2 3.42Å; E761-Y763 PolarHBondContact OE2-OH 3.15Å; E761-Y763 VanDerWaalsContact OE2-OH 3.06Å; E761-Y794 WeakPolarHBondContact CA-O 3.48Å
762	I	88	Confident	83.3	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	128.2	176.3	-67.7	175.6	0	0	0	107.9	V759 L764 L774 Y788 T790 T793 Y794 F822	V759-I762 HydrophobicContact CG1-CD1 3.44Å; V759-I762 VanDerWaalsContact CG1-CD1 3.44Å; V759-I762 HydrophobicContact CG1-CG1 3.54Å; I762-L764 HydrophobicContact CG2-CD1 3.88Å; I762-L764 HydrophobicContact CG2-CG 3.67Å; I762-L774 HydrophobicContact CD1-CD2 3.88Å; I762-Y788 HydrophobicContact CD1-CE1 3.99Å; I762-T790 HydrophobicContact CD1-CG2 3.82Å; I762-T790 HydrophobicContact CG2-CG2 4.3Å; I762-T793 CarbonylContact O-C 3.55Å; I762-T793 VanDerWaalsContact O-CA 3.26Å; I762-T793 WeakPolarHBondContact O-CA 3.44Å; I762-Y794 PolarHBondContact N-O 2.69Å; I762-Y794 PolarHBondContact O-N 3.06Å; I762-F822 HydrophobicContact CB-CB 4.3Å; I762-F822 HydrophobicContact CG1-CB 3.84Å; I762-F822 HydrophobicContact CG1-CG 4.47Å; I762-F822 HydrophobicContact CG2-CB 4.39Å; I762-F822 HydrophobicContact CG2-CD1 4.4Å
763	Y	89.2	Confident	83.6	Confident	36 Å²	36	41.8 Å²	41.8	14%	0.141	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	103.1	173.6	-62.3	-75.6	0	0	0	109.8	E761 T793 E795 A819 K820 G821	E761-Y763 HydrophobicContact CB-CE2 4.3Å; E761-Y763 VanDerWaalsContact CD-CE2 3.48Å; E761-Y763 HydrophobicContact CG-CE2 3.79Å; E761-Y763 WeakPolarHBondContact OE1-CE2 3.42Å; E761-Y763 PolarHBondContact OE2-OH 3.15Å; E761-Y763 VanDerWaalsContact OE2-OH 3.06Å; Y763-T793 HydrophobicContact CD1-CG2 3.59Å; Y763-T793 HydrophobicContact CE1-CG2 4.07Å; Y763-E795 HydrophobicContact CE1-CG 4.21Å; Y763-A819 VanDerWaalsContact O-CB 3.27Å; Y763-A819 WeakPolarHBondContact O-CB 3.14Å; Y763-K820 HydrophobicContact CD2-CB 3.95Å; Y763-K820 HydrophobicContact CD2-CD 4.4Å; Y763-K820 HydrophobicContact CG-CB 4.16Å; Y763-G821 WeakPolarHBondContact CB-O 3.48Å; Y763-G821 PolarHBondContact N-O 3.02Å; Y763-G821 VanDerWaalsContact O-CA 3.31Å; Y763-G821 WeakPolarHBondContact O-CA 3.12Å; Y763-G821 PolarHBondContact O-N 3.15Å
764	L	89.5	Confident	83.7	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.			trans	-123.7	139.7	172.2	-60.7	175.5	0	0	0	109.1	Y737 I762 T790 T793 F811	Y737-L764 HydrophobicContact CE1-CD2 3.96Å; Y737-L764 WeakPolarHBondContact OH-CD2 3.09Å; I762-L764 HydrophobicContact CG2-CD1 3.88Å; I762-L764 HydrophobicContact CG2-CG 3.67Å; L764-T790 HydrophobicContact CD1-CG2 4.23Å; L764-T793 PolarHBondContact N-OG1 3.11Å; L764-T793 VanDerWaalsContact N-OG1 3.15Å; L764-T793 PolarHBondContact O-N 3.17Å; L764-T793 VanDerWaalsContact O-N 3.11Å; L764-T793 PolarHBondContact O-OG1 2.9Å; L764-F811 HydrophobicContact CD2-CE2 3.63Å; L764-F811 HydrophobicContact CD2-CZ 4.26Å
765	P	85.6	Confident	83.9	Confident	24 Å²	24	37.5 Å²	37.5	16%	0.156	19%	0.194	C	C	.	.			trans	-52.4	140.6	172.3	-22.3	31.2	0	0	0	110.5	Y737 E767 D772 N817 A819	Y737-P765 WeakPolarHBondContact OH-CD 3.41Å; P765-E767 HydrophobicContact CB-CG 4.45Å; P765-D772 WeakPolarHBondContact CD-OD2 3.34Å; P765-N817 HydrophobicContact CB-CB 3.94Å; P765-N817 HydrophobicContact CG-CB 3.84Å; P765-A819 HydrophobicContact CG-CB 4.19Å
766	I	76.4	Confident	84	Confident	131 Å²	131	37.5 Å²	37.5	67%	0.672	19%	0.194	S	C	*	.			trans	-90	110.2	176.5	-58.3	170	0	0	0	106.8	Q792	I766-Q792 HydrophobicContact CG1-CB 4.26Å
767	E	73.4	Confident	84	Confident	60 Å²	60	39.2 Å²	39.2	28%	0.28	20%	0.2	S	C	.	.			trans	-129	146.6	177.8	-64.1	-169.3	169.2	0	0	111.3	P765 E769 C770 N814 N817	P765-E767 HydrophobicContact CB-CG 4.45Å; E767-E769 VanDerWaalsContact C-N 3.27Å; E767-E769 PolarHBondContact O-N 2.93Å; E767-C770 PolarHBondContact O-N 3.28Å; E767-N814 PolarHBondContact OE2-ND2 2.53Å; E767-N817 PolarHBondContact OE1-ND2 2.71Å
768	D	63.2	Low	83.9	Confident	178 Å²	178	45 Å²	45	95%	0.952	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-27.3	-175	-68.3	-38	0	0	0	113.3
769	E	73.9	Confident	83.9	Confident	185 Å²	185	46.9 Å²	46.9	86%	0.864	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.1	11.3	-179.1	-64.9	-168.3	169.3	0	0	114	E767 G771	E767-E769 VanDerWaalsContact C-N 3.27Å; E767-E769 PolarHBondContact O-N 2.93Å; E769-G771 PolarHBondContact O-N 3.38Å
770	C	77.2	Confident	83.9	Confident	49 Å²	49	50.6 Å²	50.6	33%	0.331	27%	0.265	S	S	.	.			trans	55.7	49.5	173.2	-163.7	0	0	0	0	111.5	E767 C791	E767-C770 PolarHBondContact O-N 3.28Å; C770-C791 HydrophobicContact CB-CB 3.93Å; C770-C791 WeakPolarHBondContact CB-SG 3.48Å; C770-C791 WeakPolarHBondContact SG-CB 3.05Å; C770-C791 CovalentContact SG-SG 2.03Å; C770-C791 PolarHBondContact SG-SG 3.41Å
771	G	82.8	Confident	84.2	Confident	16 Å²	16	55 Å²	55	17%	0.165	29%	0.287	C	S	.	.			trans	-60.8	-51.8	-177.4	0	0	0	0	0	112.8	E769	E769-G771 PolarHBondContact O-N 3.38Å
772	D	89.4	Confident	83.9	Confident	4 Å²	4	58.1 Å²	58.1	2%	0.021	31%	0.31	C	S	.	.	S	Bend	trans	-94.5	122.3	176.8	-71.8	-1.8	0	0	0	110.9	Y737 P765 C791 R812 S813 N814	Y737-D772 VanDerWaalsContact CE2-OD2 3.26Å; Y737-D772 WeakPolarHBondContact CE2-OD2 3.34Å; Y737-D772 VanDerWaalsContact CZ-OD2 3.3Å; Y737-D772 PolarHBondContact OH-OD2 3.37Å; P765-D772 WeakPolarHBondContact CD-OD2 3.34Å; D772-C791 VanDerWaalsContact O-CA 3.24Å; D772-C791 WeakPolarHBondContact O-CA 3.46Å; D772-C791 WeakPolarHBondContact O-CB 3.45Å; D772-R812 WeakPolarHBondContact CA-O 3.47Å; D772-S813 WeakPolarHBondContact OD1-CA 3.34Å; D772-S813 WeakPolarHBondContact OD1-CB 3.28Å; D772-N814 PolarHBondContact OD1-N 2.83Å; D772-N814 PolarHBondContact OD1-OD1 3.13Å
773	Y	91.2	Very high	83.4	Confident	48 Å²	48	65.8 Å²	65.8	19%	0.188	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	151.7	-178.8	68	-93.3	0	0	0	113.7	V775 T790 F811 R812	Y773-V775 HydrophobicContact CD2-CB 4.35Å; Y773-V775 HydrophobicContact CD2-CG1 4.29Å; Y773-V775 HydrophobicContact CE2-CG1 4.06Å; Y773-T790 WeakPolarHBondContact CA-O 3.5Å; Y773-F811 WeakPolarHBondContact O-CA 3.43Å; Y773-F811 VanDerWaalsContact O-CD2 3.32Å; Y773-F811 WeakPolarHBondContact O-CD2 3.5Å; Y773-R812 HydrophobicContact CD1-CB 4.42Å; Y773-R812 HydrophobicContact CE1-CB 3.9Å; Y773-R812 HydrophobicContact CE1-CG 4.32Å; Y773-R812 HydrophobicContact CE2-CB 4.28Å; Y773-R812 PolarHBondContact N-O 2.55Å; Y773-R812 PolarHBondContact O-N 3.27Å; Y773-R812 WeakPolarHBondContact OH-CD 3.48Å
774	L	92.2	Very high	83.2	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	124.4	171.4	175.8	67.9	0	0	0	108.9	I762 M776 E789 T790 I809 Q810 F811 F822	I762-L774 HydrophobicContact CD1-CD2 3.88Å; L774-M776 HydrophobicContact CD2-CE 3.91Å; L774-M776 HydrophobicContact CG-CE 4.36Å; L774-E789 WeakPolarHBondContact O-CA 3.49Å; L774-T790 HydrophobicContact CB-CG2 4.17Å; L774-T790 PolarHBondContact N-O 2.65Å; L774-T790 PolarHBondContact O-N 2.84Å; L774-I809 HydrophobicContact CD1-CG2 3.8Å; L774-Q810 WeakPolarHBondContact CA-O 3.47Å; L774-F811 HydrophobicContact CB-CD2 4.42Å; L774-F811 HydrophobicContact CD1-CB 3.97Å; L774-F822 HydrophobicContact CD1-CE1 4.29Å; L774-F822 HydrophobicContact CD1-CE2 4.21Å; L774-F822 HydrophobicContact CD1-CZ 3.73Å; L774-F822 HydrophobicContact CD2-CD1 4.37Å; L774-F822 HydrophobicContact CD2-CD2 4.36Å; L774-F822 HydrophobicContact CD2-CE1 4.17Å; L774-F822 HydrophobicContact CD2-CE2 4.15Å; L774-F822 HydrophobicContact CD2-CG 4.48Å; L774-F822 HydrophobicContact CD2-CZ 4.06Å; L774-F822 HydrophobicContact CG-CZ 4.4Å
775	V	91.9	Very high	82.6	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	140.5	179.9	69.6	0	0	0	0	111.6	Y773 R777 T786 E789 W808 I809 Q810	Y773-V775 HydrophobicContact CD2-CB 4.35Å; Y773-V775 HydrophobicContact CD2-CG1 4.29Å; Y773-V775 HydrophobicContact CE2-CG1 4.06Å; V775-R777 HydrophobicContact CG2-CG 3.94Å; V775-T786 HydrophobicContact CG2-CG2 3.94Å; V775-E789 HydrophobicContact CG2-CB 4.25Å; V775-E789 HydrophobicContact CG2-CG 4.27Å; V775-W808 HydrophobicContact CG1-CZ3 4.36Å; V775-I809 CarbonylContact O-C 3.43Å; V775-I809 WeakPolarHBondContact O-CA 3.3Å; V775-Q810 HydrophobicContact CG1-CB 3.83Å; V775-Q810 HydrophobicContact CG1-CG 4.49Å; V775-Q810 PolarHBondContact N-O 2.87Å; V775-Q810 PolarHBondContact O-N 2.91Å
776	M	91.4	Very high	82.4	Confident	1 Å²	1	69.6 Å²	69.6	1%	0.005	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	121.7	177.3	-50.1	-171.4	-172.7	0	0	109.8	I757 L774 T787 Y788 F800 L807 W808 I809 V824	I757-M776 HydrophobicContact CG2-CE 4.44Å; I757-M776 HydrophobicContact CG2-SD 4.34Å; L774-M776 HydrophobicContact CD2-CE 3.91Å; L774-M776 HydrophobicContact CG-CE 4.36Å; M776-T787 PolarHBondContact O-N 3.01Å; M776-Y788 HydrophobicContact CE-CD1 3.99Å; M776-Y788 HydrophobicContact CG-CD1 4.31Å; M776-Y788 PolarHBondContact N-O 3.45Å; M776-Y788 PolarHBondContact O-N 3.33Å; M776-Y788 HydrophobicContact SD-CD1 4.25Å; M776-F800 HydrophobicContact SD-CE2 4.33Å; M776-F800 HydrophobicContact SD-CZ 3.69Å; M776-L807 HydrophobicContact CB-CD1 4.23Å; M776-L807 HydrophobicContact SD-CD2 4.34Å; M776-W808 CarbonylContact C-O 3.56Å; M776-W808 WeakPolarHBondContact CA-O 3.4Å; M776-I809 HydrophobicContact CB-CG1 4.3Å; M776-I809 HydrophobicContact CG-CB 4.5Å; M776-I809 HydrophobicContact CG-CG1 3.99Å; M776-I809 HydrophobicContact CG-CG2 4.12Å; M776-I809 HydrophobicContact SD-CD1 4.37Å; M776-I809 HydrophobicContact SD-CG1 4.37Å; M776-V824 HydrophobicContact CE-CG1 4.28Å
777	R	89.3	Confident	82.8	Confident	37 Å²	37	65.1 Å²	65.1	14%	0.14	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	165.8	-175.2	-54.5	-172.2	175.8	130.7	1	111.2	V775 S779 W808	V775-R777 HydrophobicContact CG2-CG 3.94Å; R777-S779 VanDerWaalsContact C-N 3.35Å; R777-S779 WeakPolarHBondContact CB-O 3.03Å; R777-W808 HydrophobicContact CB-CE3 4.1Å; R777-W808 HydrophobicContact CG-CE3 4.36Å; R777-W808 HydrophobicContact CG-CZ3 4.48Å; R777-W808 PolarHBondContact N-O 3.47Å; R777-W808 PolarHBondContact O-N 3.16Å; R777-W808 VanDerWaalsContact O-O 3.09Å
778	K	84.9	Confident	83.4	Confident	122 Å²	122	63.2 Å²	63.2	53%	0.53	35%	0.347	S	S	.	.	S	Bend	trans	-63.9	-37.6	171.5	172.6	-178.2	-171.1	-179.3	0	112.9	S784 V785 S804	K778-S784 WeakPolarHBondContact CB-OG 3.32Å; K778-S784 PolarHBondContact N-OG 3Å; K778-V785 PolarHBondContact N-O 2.03Å; K778-S804 WeakPolarHBondContact CB-OG 3.21Å; K778-S804 WeakPolarHBondContact CD-OG 3.18Å; K778-S804 WeakPolarHBondContact CG-OG 3.33Å
779	S	85.7	Confident	84.6	Confident	40 Å²	40	59.4 Å²	59.4	28%	0.28	32%	0.323	S	S	.	.	S	Bend	trans	-144.8	172.8	178.7	67.3	0	0	0	0	111.5	R777 L781 S784	R777-S779 VanDerWaalsContact C-N 3.35Å; R777-S779 WeakPolarHBondContact CB-O 3.03Å; S779-L781 PolarHBondContact O-N 3.23Å; S779-S784 PolarHBondContact N-OG 3.14Å; S779-S784 VanDerWaalsContact N-OG 3.15Å
780	S	85.3	Confident	85.3	Confident	79 Å²	79	51.3 Å²	51.3	55%	0.552	29%	0.287	S	S	*	.	S	Bend	trans	-68	-7.2	175.7	56.9	0	0	0	0	114.5
781	L	85.2	Confident	85.8	Confident	113 Å²	113	50.7 Å²	50.7	59%	0.592	28%	0.282	S	S	*	.	S	Bend	trans	-71.6	134.6	179.8	-66	169.2	0	0	0	109.9	S779 N783 S784	S779-L781 PolarHBondContact O-N 3.23Å; L781-N783 PolarHBondContact O-N 3.49Å; L781-S784 WeakPolarHBondContact O-CB 3.3Å; L781-S784 PolarHBondContact O-N 3.12Å
782	P	76.4	Confident	86	Confident	97 Å²	97	54.1 Å²	54.1	63%	0.63	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-28.7	-179	22.6	-31.7	0	0	0	113	S784	P782-S784 VanDerWaalsContact C-N 3.26Å; P782-S784 PolarHBondContact O-N 3.07Å
783	N	77.9	Confident	85.8	Confident	161 Å²	161	56.1 Å²	56.1	86%	0.861	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	2.4	177.8	-57.6	-6.3	0	0	0	113	L781	L781-N783 PolarHBondContact O-N 3.49Å
784	S	83.6	Confident	85.4	Confident	17 Å²	17	56.9 Å²	56.9	12%	0.119	31%	0.31	C	S	.	.	S	Bend	trans	-65.8	146.8	177.2	173.2	0	0	0	0	110.6	K778 S779 L781 P782 T786	K778-S784 WeakPolarHBondContact CB-OG 3.32Å; K778-S784 PolarHBondContact N-OG 3Å; S779-S784 PolarHBondContact N-OG 3.14Å; S779-S784 VanDerWaalsContact N-OG 3.15Å; L781-S784 WeakPolarHBondContact O-CB 3.3Å; L781-S784 PolarHBondContact O-N 3.12Å; P782-S784 VanDerWaalsContact C-N 3.26Å; P782-S784 PolarHBondContact O-N 3.07Å; S784-T786 PolarHBondContact O-N 3.21Å; S784-T786 VanDerWaalsContact O-N 3.07Å
785	V	77.7	Confident	84.5	Confident	76 Å²	76	62 Å²	62	46%	0.461	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-55.2	117.3	173.2	-178.4	0	0	0	0	110	K778	K778-V785 PolarHBondContact N-O 2.03Å
786	T	82.6	Confident	83.6	Confident	47 Å²	47	66.9 Å²	66.9	29%	0.288	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	125.2	172.1	-54.7	0	0	0	0	109.4	V775 S784 E789	V775-T786 HydrophobicContact CG2-CG2 3.94Å; S784-T786 PolarHBondContact O-N 3.21Å; S784-T786 VanDerWaalsContact O-N 3.07Å; T786-E789 HydrophobicContact CG2-CB 3.94Å
787	T	83.6	Confident	82.7	Confident	37 Å²	37	67.3 Å²	67.3	23%	0.227	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-37.9	176.5	-53.5	0	0	0	0	110.8	M776 F800	M776-T787 PolarHBondContact O-N 3.01Å; T787-F800 HydrophobicContact CG2-CD2 3.82Å; T787-F800 HydrophobicContact CG2-CE2 3.73Å
788	Y	87.1	Confident	82.2	Confident	20 Å²	20	67 Å²	67	8%	0.078	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	142.7	179.3	-177.3	-99	0	0	0	110.3	I762 M776 T790 I798 F800	I762-Y788 HydrophobicContact CD1-CE1 3.99Å; M776-Y788 HydrophobicContact CE-CD1 3.99Å; M776-Y788 HydrophobicContact CG-CD1 4.31Å; M776-Y788 PolarHBondContact N-O 3.45Å; M776-Y788 PolarHBondContact O-N 3.33Å; M776-Y788 HydrophobicContact SD-CD1 4.25Å; Y788-T790 HydrophobicContact CE1-CG2 3.7Å; Y788-I798 HydrophobicContact CE2-CD1 4.01Å; Y788-F800 HydrophobicContact CD2-CD1 4.47Å; Y788-F800 AromaticContact CD2-CE1 3.78Å; Y788-F800 HydrophobicContact CD2-CE1 3.78Å; Y788-F800 HydrophobicContact CD2-CZ 4.2Å; Y788-F800 HydrophobicContact CE2-CE1 4.43Å; Y788-F800 AromaticContact CG-CE1 3.89Å; Y788-F800 HydrophobicContact CG-CE1 3.89Å; Y788-F800 AromaticContact CG-CZ 3.85Å; Y788-F800 HydrophobicContact CG-CZ 3.85Å
789	E	88.4	Confident	82	Confident	98 Å²	98	61.6 Å²	61.6	46%	0.458	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	135.3	177.9	-177.4	169.9	-158.5	0	0	109.6	L774 V775 T786	L774-E789 WeakPolarHBondContact O-CA 3.49Å; V775-E789 HydrophobicContact CG2-CB 4.25Å; V775-E789 HydrophobicContact CG2-CG 4.27Å; T786-E789 HydrophobicContact CG2-CB 3.94Å
790	T	87.9	Confident	81.9	Confident	16 Å²	16	60.9 Å²	60.9	10%	0.098	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	148.7	174.9	-173.5	0	0	0	0	111	I762 L764 Y773 L774 Y788 Q792	I762-T790 HydrophobicContact CD1-CG2 3.82Å; I762-T790 HydrophobicContact CG2-CG2 4.3Å; L764-T790 HydrophobicContact CD1-CG2 4.23Å; Y773-T790 WeakPolarHBondContact CA-O 3.5Å; L774-T790 HydrophobicContact CB-CG2 4.17Å; L774-T790 PolarHBondContact N-O 2.65Å; L774-T790 PolarHBondContact O-N 2.84Å; Y788-T790 HydrophobicContact CE1-CG2 3.7Å; T790-Q792 PolarHBondContact OG1-N 3.17Å; T790-Q792 PolarHBondContact OG1-O 3.1Å
791	C	88.2	Confident	81.9	Confident	35 Å²	35	58.4 Å²	58.4	24%	0.236	31%	0.307	C	S	.	.			trans	-138.3	26.2	171.1	56.8	0	0	0	0	113.1	C770 D772	C770-C791 HydrophobicContact CB-CB 3.93Å; C770-C791 WeakPolarHBondContact CB-SG 3.48Å; C770-C791 WeakPolarHBondContact SG-CB 3.05Å; C770-C791 CovalentContact SG-SG 2.03Å; C770-C791 PolarHBondContact SG-SG 3.41Å; D772-C791 VanDerWaalsContact O-CA 3.24Å; D772-C791 WeakPolarHBondContact O-CA 3.46Å; D772-C791 WeakPolarHBondContact O-CB 3.45Å
792	Q	86.1	Confident	81.8	Confident	88 Å²	88	53.1 Å²	53.1	41%	0.411	28%	0.28	S	S	.	.	S	Bend	trans	-140.4	160.6	176.3	62.3	-177.8	4.8	0	0	110.1	I766 T790 Y794	I766-Q792 HydrophobicContact CG1-CB 4.26Å; T790-Q792 PolarHBondContact OG1-N 3.17Å; T790-Q792 PolarHBondContact OG1-O 3.1Å; Q792-Y794 PolarHBondContact O-N 3.32Å
793	T	85.6	Confident	81.9	Confident	46 Å²	46	54.7 Å²	54.7	28%	0.282	27%	0.273	S	S	.	.			trans	-60.3	130.9	173.3	-68.9	0	0	0	0	110.7	I762 Y763 L764 E795	I762-T793 CarbonylContact O-C 3.55Å; I762-T793 VanDerWaalsContact O-CA 3.26Å; I762-T793 WeakPolarHBondContact O-CA 3.44Å; Y763-T793 HydrophobicContact CD1-CG2 3.59Å; Y763-T793 HydrophobicContact CE1-CG2 4.07Å; L764-T793 PolarHBondContact N-OG1 3.11Å; L764-T793 VanDerWaalsContact N-OG1 3.15Å; L764-T793 PolarHBondContact O-N 3.17Å; L764-T793 VanDerWaalsContact O-N 3.11Å; L764-T793 PolarHBondContact O-OG1 2.9Å; T793-E795 HydrophobicContact CG2-CG 4.04Å
794	Y	82	Confident	82	Confident	65 Å²	65	47.9 Å²	47.9	26%	0.255	24%	0.238	S	C	.	.	B	Isolated β-bridge	trans	-131.6	106	177.7	-162.3	-94.7	0	0	0	109.6	E761 I762 Q792 R796 I798	E761-Y794 WeakPolarHBondContact CA-O 3.48Å; I762-Y794 PolarHBondContact N-O 2.69Å; I762-Y794 PolarHBondContact O-N 3.06Å; Q792-Y794 PolarHBondContact O-N 3.32Å; Y794-R796 HydrophobicContact CD1-CB 4.26Å; Y794-R796 WeakPolarHBondContact CD1-O 3.41Å; Y794-R796 HydrophobicContact CE1-CB 3.51Å; Y794-R796 WeakPolarHBondContact CE1-O 3.31Å; Y794-I798 HydrophobicContact CD1-CD1 3.78Å; Y794-I798 HydrophobicContact CD1-CG1 4.19Å; Y794-I798 HydrophobicContact CE1-CD1 3.24Å; Y794-I798 HydrophobicContact CE1-CG1 3.42Å; Y794-I798 VanDerWaalsContact CE1-CG1 3.42Å; Y794-I798 HydrophobicContact CE2-CD1 4.45Å
795	E	73.3	Confident	81.9	Confident	108 Å²	108	52.5 Å²	52.5	51%	0.505	26%	0.256	S	S	.	.			trans	-91	-1	-176.2	-59.3	-166.6	161.2	0	0	113.9	Y763 T793	Y763-E795 HydrophobicContact CE1-CG 4.21Å; T793-E795 HydrophobicContact CG2-CG 4.04Å
796	R	73	Confident	82.3	Confident	101 Å²	101	55.3 Å²	55.3	38%	0.381	26%	0.258	S	S	.	.	S	Bend	trans	-96.5	142.2	178.4	-65.7	179.9	-175.2	-171.2	-1.7	109.6	N3 P760 Y794	N3-R796 PolarHBondContact OD1-NH1 2.75Å; N3-R796 PolarHBondContact OD1-NH2 3.06Å; P760-R796 CarbonylContact O-C 3.53Å; Y794-R796 HydrophobicContact CD1-CB 4.26Å; Y794-R796 WeakPolarHBondContact CD1-O 3.41Å; Y794-R796 HydrophobicContact CE1-CB 3.51Å; Y794-R796 WeakPolarHBondContact CE1-O 3.31Å
797	P	73.4	Confident	82.6	Confident	10 Å²	10	53.1 Å²	53.1	7%	0.065	25%	0.245	C	C	.	.			trans	-75.3	141.6	175	23.4	-27.8	0	0	0	112.1	V759 P760 Y847 Q853 L856	V759-P797 CarbonylContact O-C 3.59Å; V759-P797 WeakPolarHBondContact O-CA 3.22Å; P760-P797 VanDerWaalsContact O-CA 3.27Å; P760-P797 WeakPolarHBondContact O-CA 3.29Å; P797-Y847 HydrophobicContact CB-CD1 3.66Å; P797-Y847 HydrophobicContact CB-CE1 4.01Å; P797-Y847 HydrophobicContact CB-CG 4.25Å; P797-Y847 HydrophobicContact CG-CD1 3.51Å; P797-Y847 HydrophobicContact CG-CE1 4.31Å; P797-Y847 HydrophobicContact CG-CG 4Å; P797-Q853 HydrophobicContact CG-CB 3.99Å; P797-Q853 HydrophobicContact CG-CG 3.67Å; P797-L856 HydrophobicContact CB-CD1 3.32Å; P797-L856 HydrophobicContact CG-CD1 3.41Å; P797-L856 VanDerWaalsContact CG-CD1 3.41Å
798	I	78	Confident	83.1	Confident	30 Å²	30	52.5 Å²	52.5	15%	0.154	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	140.3	174.8	-55.9	170.2	0	0	0	108	V759 Y788 Y794 F800	V759-I798 PolarHBondContact N-O 3.2Å; V759-I798 PolarHBondContact O-N 3.06Å; Y788-I798 HydrophobicContact CE2-CD1 4.01Å; Y794-I798 HydrophobicContact CD1-CD1 3.78Å; Y794-I798 HydrophobicContact CD1-CG1 4.19Å; Y794-I798 HydrophobicContact CE1-CD1 3.24Å; Y794-I798 HydrophobicContact CE1-CG1 3.42Å; Y794-I798 VanDerWaalsContact CE1-CG1 3.42Å; Y794-I798 HydrophobicContact CE2-CD1 4.45Å; I798-F800 HydrophobicContact CG2-CD1 3.99Å
799	A	81.4	Confident	83.4	Confident	9 Å²	9	51.6 Å²	51.6	7%	0.074	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	149.1	159.8	0	0	0	0	0	111	L756 I757 V758 V841 Y847	L756-A799 HydrophobicContact CD1-CB 4.3Å; I757-A799 CarbonylContact O-C 3.53Å; I757-A799 WeakPolarHBondContact O-CA 3.39Å; I757-A799 WeakPolarHBondContact O-CB 3.01Å; V758-A799 HydrophobicContact CG2-CB 4Å; A799-V841 HydrophobicContact CB-CG2 4.35Å; A799-V841 WeakPolarHBondContact O-CG1 3.09Å; A799-Y847 HydrophobicContact CB-CE2 3.88Å; A799-Y847 WeakPolarHBondContact CB-OH 3.46Å
800	F	84.1	Confident	83.7	Confident	26 Å²	26	47.9 Å²	47.9	11%	0.114	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	150.1	176.3	57.9	-91.2	0	0	0	111	I757 V759 M776 T787 Y788 I798	I757-F800 HydrophobicContact CB-CD2 4.3Å; I757-F800 HydrophobicContact CB-CE1 4.15Å; I757-F800 HydrophobicContact CB-CE2 3.84Å; I757-F800 HydrophobicContact CB-CZ 3.76Å; I757-F800 HydrophobicContact CG1-CE2 3.94Å; I757-F800 HydrophobicContact CG1-CZ 4.17Å; I757-F800 HydrophobicContact CG2-CE1 3.97Å; I757-F800 HydrophobicContact CG2-CE2 4.31Å; I757-F800 HydrophobicContact CG2-CZ 3.72Å; I757-F800 PolarHBondContact N-O 3.2Å; I757-F800 PolarHBondContact O-N 2.93Å; V759-F800 HydrophobicContact CG2-CE1 4.15Å; M776-F800 HydrophobicContact SD-CE2 4.33Å; M776-F800 HydrophobicContact SD-CZ 3.69Å; T787-F800 HydrophobicContact CG2-CD2 3.82Å; T787-F800 HydrophobicContact CG2-CE2 3.73Å; Y788-F800 HydrophobicContact CD2-CD1 4.47Å; Y788-F800 AromaticContact CD2-CE1 3.78Å; Y788-F800 HydrophobicContact CD2-CE1 3.78Å; Y788-F800 HydrophobicContact CD2-CZ 4.2Å; Y788-F800 HydrophobicContact CE2-CE1 4.43Å; Y788-F800 AromaticContact CG-CE1 3.89Å; Y788-F800 HydrophobicContact CG-CE1 3.89Å; Y788-F800 AromaticContact CG-CZ 3.85Å; Y788-F800 HydrophobicContact CG-CZ 3.85Å; I798-F800 HydrophobicContact CG2-CD1 3.99Å
801	T	85.4	Confident	84	Confident	27 Å²	27	47.1 Å²	47.1	17%	0.166	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	140	174.5	54.8	0	0	0	0	110	V755 L756 Y829 I837 E838	V755-T801 WeakPolarHBondContact O-CA 3.1Å; L756-T801 HydrophobicContact CD1-CG2 3.98Å; T801-Y829 HydrophobicContact CG2-CE1 4.06Å; T801-Y829 VanDerWaalsContact CG2-OH 3.24Å; T801-Y829 WeakPolarHBondContact CG2-OH 3.23Å; T801-I837 HydrophobicContact CG2-CG2 3.8Å; T801-E838 HydrophobicContact CG2-CG 4.47Å
802	S	83	Confident	84.2	Confident	1 Å²	1	51 Å²	51	1%	0.007	22%	0.223	C	C	.	.			trans	-71	130.7	172.5	176.3	0	0	0	0	109.9	V755 S804	V755-S802 PolarHBondContact O-N 3.14Å; S802-S804 WeakPolarHBondContact CB-O 3.43Å; S802-S804 PolarHBondContact O-N 2.89Å; S802-S804 PolarHBondContact OG-N 3.06Å; S802-S804 PolarHBondContact OG-O 2.03Å
803	R	77.2	Confident	84.5	Confident	130 Å²	130	46.9 Å²	46.9	49%	0.491	20%	0.204	S	C	.	.	S	Bend	trans	-66	-23.9	172.4	-60.2	-168.8	-163.7	-162.4	9.3	112.3	D30	D30-R803 IonicContact OD1-CZ 2.83Å; D30-R803 IonicContact OD1-NH1 2.69Å; D30-R803 IonicContact OD1-NH2 2.75Å; D30-R803 PolarHBondContact OD1-NH2 2.01Å; D30-R803 IonicContact OD2-CZ 2.85Å; D30-R803 IonicContact OD2-NH1 2.65Å; D30-R803 PolarHBondContact OD2-NH1 2.83Å; D30-R803 IonicContact OD2-NH2 3.62Å; D30-R803 PolarHBondContact OD2-NH2 2.72Å
804	S	81	Confident	84.6	Confident	19 Å²	19	46.3 Å²	46.3	13%	0.133	20%	0.199	C	C	.	.	S	Bend	trans	-107.7	151.3	-178.2	-64.8	0	0	0	0	111.5	K778 S802 R806	K778-S804 WeakPolarHBondContact CB-OG 3.21Å; K778-S804 WeakPolarHBondContact CD-OG 3.18Å; K778-S804 WeakPolarHBondContact CG-OG 3.33Å; S802-S804 WeakPolarHBondContact CB-O 3.43Å; S802-S804 PolarHBondContact O-N 2.89Å; S802-S804 PolarHBondContact OG-N 3.06Å; S802-S804 PolarHBondContact OG-O 2.03Å; S804-R806 VanDerWaalsContact CB-O 3.29Å; S804-R806 WeakPolarHBondContact CB-O 3.29Å; S804-R806 PolarHBondContact O-N 3.23Å
805	K	81.6	Confident	84.4	Confident	113 Å²	113	51.1 Å²	51.1	49%	0.491	22%	0.224	S	C	.	.	S	Bend	trans	-64.1	-28.5	174.4	-58.9	-164.8	-172.8	-131.9	0	112.4	P749 E831	P749-K805 WeakPolarHBondContact CD-O 3.24Å; P749-K805 WeakPolarHBondContact CG-O 3.34Å; K805-E831 VanDerWaalsContact CE-OE1 3.23Å; K805-E831 WeakPolarHBondContact CE-OE1 3.22Å; K805-E831 VanDerWaalsContact NZ-CD 3.32Å; K805-E831 IonicContact NZ-OE1 2.83Å; K805-E831 PolarHBondContact NZ-OE1 2.79Å; K805-E831 IonicContact NZ-OE2 2.98Å; K805-E831 PolarHBondContact NZ-OE2 3.28Å; K805-E831 VanDerWaalsContact NZ-OE2 3.07Å
806	R	84.8	Confident	84.3	Confident	136 Å²	136	47.6 Å²	47.6	51%	0.513	22%	0.216	S	C	.	.	S	Bend	trans	-111.3	147.2	175.8	-58.6	178.6	73.8	-172.4	2.9	109.3	N748 S804	N748-R806 VanDerWaalsContact OD1-CZ 3.22Å; N748-R806 PolarHBondContact OD1-NE 3.35Å; N748-R806 PolarHBondContact OD1-NH2 3.44Å; S804-R806 VanDerWaalsContact CB-O 3.29Å; S804-R806 WeakPolarHBondContact CB-O 3.29Å; S804-R806 PolarHBondContact O-N 3.23Å
807	L	90.2	Very high	83.9	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	127.1	175.4	-168.4	68	0	0	0	109.2	I747 I757 M776 I809	I747-L807 HydrophobicContact CB-CB 4.45Å; I747-L807 HydrophobicContact CD1-CD2 4.39Å; I747-L807 PolarHBondContact N-O 3.45Å; I747-L807 PolarHBondContact O-N 2.67Å; I757-L807 HydrophobicContact CD1-CD2 3.62Å; I757-L807 HydrophobicContact CG1-CD2 3.59Å; M776-L807 HydrophobicContact CB-CD1 4.23Å; M776-L807 HydrophobicContact SD-CD2 4.34Å; L807-I809 HydrophobicContact CD2-CD1 3.98Å; L807-I809 HydrophobicContact CD2-CG1 4.2Å; L807-I809 HydrophobicContact CG-CD1 4.3Å; L807-I809 HydrophobicContact CG-CG1 4.06Å
808	W	92.7	Very high	84.3	Confident	25 Å²	25	49 Å²	49	10%	0.095	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	133.5	175.6	-179.8	82.6	0	0	0	108.8	T744 V775 M776 R777 Q810	T744-W808 HydrophobicContact CG2-CZ2 3.88Å; V775-W808 HydrophobicContact CG1-CZ3 4.36Å; M776-W808 CarbonylContact C-O 3.56Å; M776-W808 WeakPolarHBondContact CA-O 3.4Å; R777-W808 HydrophobicContact CB-CE3 4.1Å; R777-W808 HydrophobicContact CG-CE3 4.36Å; R777-W808 HydrophobicContact CG-CZ3 4.48Å; R777-W808 PolarHBondContact N-O 3.47Å; R777-W808 PolarHBondContact O-N 3.16Å; R777-W808 VanDerWaalsContact O-O 3.09Å; W808-Q810 HydrophobicContact CE3-CB 4.39Å; W808-Q810 HydrophobicContact CH2-CB 3.39Å; W808-Q810 VanDerWaalsContact CH2-CD 3.49Å; W808-Q810 HydrophobicContact CH2-CG 3.95Å; W808-Q810 HydrophobicContact CZ2-CB 3.91Å; W808-Q810 HydrophobicContact CZ2-CG 4.44Å; W808-Q810 HydrophobicContact CZ3-CB 3.64Å
809	I	93.9	Very high	84.7	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	132.1	-169.4	-56.7	170.8	0	0	0	108	I728 T744 W745 I747 L774 V775 M776 L807	I728-I809 HydrophobicContact CD1-CD1 3.27Å; T744-I809 CarbonylContact C-O 3.6Å; T744-I809 WeakPolarHBondContact CA-O 3.42Å; W745-I809 HydrophobicContact CB-CB 4.35Å; W745-I809 HydrophobicContact CE3-CB 4.42Å; W745-I809 HydrophobicContact CE3-CG2 4.02Å; W745-I809 PolarHBondContact N-O 2.04Å; W745-I809 PolarHBondContact O-N 2.83Å; I747-I809 HydrophobicContact CD1-CD1 3.92Å; I747-I809 HydrophobicContact CG1-CD1 4.44Å; L774-I809 HydrophobicContact CD1-CG2 3.8Å; V775-I809 CarbonylContact O-C 3.43Å; V775-I809 WeakPolarHBondContact O-CA 3.3Å; M776-I809 HydrophobicContact CB-CG1 4.3Å; M776-I809 HydrophobicContact CG-CB 4.5Å; M776-I809 HydrophobicContact CG-CG1 3.99Å; M776-I809 HydrophobicContact CG-CG2 4.12Å; M776-I809 HydrophobicContact SD-CD1 4.37Å; M776-I809 HydrophobicContact SD-CG1 4.37Å; L807-I809 HydrophobicContact CD2-CD1 3.98Å; L807-I809 HydrophobicContact CD2-CG1 4.2Å; L807-I809 HydrophobicContact CG-CD1 4.3Å; L807-I809 HydrophobicContact CG-CG1 4.06Å
810	Q	94.4	Very high	85	Confident	20 Å²	20	53.2 Å²	53.2	9%	0.093	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	129.3	179.6	177.7	-172.1	42.6	0	0	109.7	E742 C743 L774 V775 W808	E742-Q810 PolarHBondContact OE1-NE2 2.86Å; C743-Q810 CarbonylContact O-C 3.5Å; C743-Q810 WeakPolarHBondContact O-CA 3.46Å; L774-Q810 WeakPolarHBondContact CA-O 3.47Å; V775-Q810 HydrophobicContact CG1-CB 3.83Å; V775-Q810 HydrophobicContact CG1-CG 4.49Å; V775-Q810 PolarHBondContact N-O 2.87Å; V775-Q810 PolarHBondContact O-N 2.91Å; W808-Q810 HydrophobicContact CE3-CB 4.39Å; W808-Q810 HydrophobicContact CH2-CB 3.39Å; W808-Q810 VanDerWaalsContact CH2-CD 3.49Å; W808-Q810 HydrophobicContact CH2-CG 3.95Å; W808-Q810 HydrophobicContact CZ2-CB 3.91Å; W808-Q810 HydrophobicContact CZ2-CG 4.44Å; W808-Q810 HydrophobicContact CZ3-CB 3.64Å
811	F	94.6	Very high	85.2	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.8	169.1	172	-119.2	0	0	0	108.7	Y737 I741 E742 C743 W745 L764 Y773 L774 F822	Y737-F811 HydrophobicContact CD1-CZ 4.06Å; Y737-F811 HydrophobicContact CD2-CE1 4.11Å; Y737-F811 AromaticContact CD2-CZ 3.76Å; Y737-F811 HydrophobicContact CD2-CZ 3.76Å; Y737-F811 HydrophobicContact CE1-CZ 4.04Å; Y737-F811 AromaticContact CE2-CZ 3.75Å; Y737-F811 HydrophobicContact CE2-CZ 3.75Å; Y737-F811 HydrophobicContact CG-CE1 4.11Å; Y737-F811 AromaticContact CG-CZ 3.91Å; Y737-F811 HydrophobicContact CG-CZ 3.91Å; Y737-F811 AromaticContact CZ-CZ 3.86Å; I741-F811 HydrophobicContact CG2-CD1 4.4Å; I741-F811 HydrophobicContact CG2-CE1 4.04Å; E742-F811 CarbonylContact C-O 3.57Å; E742-F811 WeakPolarHBondContact CA-O 3.27Å; C743-F811 HydrophobicContact CB-CB 4.24Å; C743-F811 HydrophobicContact CB-CD1 4.43Å; C743-F811 PolarHBondContact N-O 2.86Å; C743-F811 PolarHBondContact O-N 2.69Å; W745-F811 HydrophobicContact CH2-CB 4.21Å; W745-F811 HydrophobicContact CZ3-CB 3.8Å; L764-F811 HydrophobicContact CD2-CE2 3.63Å; L764-F811 HydrophobicContact CD2-CZ 4.26Å; Y773-F811 WeakPolarHBondContact O-CA 3.43Å; Y773-F811 VanDerWaalsContact O-CD2 3.32Å; Y773-F811 WeakPolarHBondContact O-CD2 3.5Å; L774-F811 HydrophobicContact CB-CD2 4.42Å; L774-F811 HydrophobicContact CD1-CB 3.97Å; F811-F822 HydrophobicContact CB-CE1 4.37Å; F811-F822 HydrophobicContact CB-CZ 3.95Å; F811-F822 HydrophobicContact CD1-CE1 4.3Å; F811-F822 HydrophobicContact CD1-CZ 4.33Å; F811-F822 AromaticContact CD2-CE1 3.62Å; F811-F822 HydrophobicContact CD2-CE1 3.62Å; F811-F822 HydrophobicContact CD2-CZ 4.07Å; F811-F822 AromaticContact CE2-CE1 3.94Å; F811-F822 HydrophobicContact CE2-CE1 3.94Å; F811-F822 AromaticContact CG-CE1 3.82Å; F811-F822 HydrophobicContact CG-CE1 3.82Å; F811-F822 AromaticContact CG-CZ 3.84Å; F811-F822 HydrophobicContact CG-CZ 3.84Å; F811-F822 HydrophobicContact CZ-CE1 4.39Å
812	R	92.4	Very high	85.5	Confident	116 Å²	116	50.8 Å²	50.8	44%	0.438	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	133	177.9	-172.9	176.2	176.9	-101.8	2	109.8	I741 D772 Y773	I741-R812 CarbonylContact O-C 3.58Å; I741-R812 WeakPolarHBondContact O-CA 3.38Å; D772-R812 WeakPolarHBondContact CA-O 3.47Å; Y773-R812 HydrophobicContact CD1-CB 4.42Å; Y773-R812 HydrophobicContact CE1-CB 3.9Å; Y773-R812 HydrophobicContact CE1-CG 4.32Å; Y773-R812 HydrophobicContact CE2-CB 4.28Å; Y773-R812 PolarHBondContact N-O 2.55Å; Y773-R812 PolarHBondContact O-N 3.27Å; Y773-R812 WeakPolarHBondContact OH-CD 3.48Å
813	S	91.6	Very high	85.8	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.014	25%	0.247	C	C	.	.			trans	-111.4	156	170.5	71.5	0	0	0	0	112.6	P738 N740 I741 D772	P738-S813 PolarHBondContact O-OG 2.89Å; N740-S813 PolarHBondContact N-OG 2.88Å; N740-S813 VanDerWaalsContact N-OG 3.12Å; I741-S813 WeakPolarHBondContact CG2-OG 3.37Å; I741-S813 PolarHBondContact N-OG 2.84Å; I741-S813 PolarHBondContact O-N 3.41Å; D772-S813 WeakPolarHBondContact OD1-CA 3.34Å; D772-S813 WeakPolarHBondContact OD1-CB 3.28Å
814	N	88	Confident	86.4	Confident	33 Å²	33	46.5 Å²	46.5	18%	0.176	22%	0.224	C	C	.	.			trans	-93.6	-168	178.1	71.3	1.4	0	0	0	112.1	A739 N740 E767 D772 G816	A739-N814 CarbonylContact C-O 3.45Å; A739-N814 WeakPolarHBondContact CA-O 3.34Å; A739-N814 WeakPolarHBondContact CB-O 3.07Å; N740-N814 PolarHBondContact N-O 3.48Å; N740-N814 PolarHBondContact OD1-O 3.38Å; E767-N814 PolarHBondContact OE2-ND2 2.53Å; D772-N814 PolarHBondContact OD1-N 2.83Å; D772-N814 PolarHBondContact OD1-OD1 3.13Å; N814-G816 VanDerWaalsContact C-N 3.35Å; N814-G816 PolarHBondContact ND2-O 3.47Å; N814-G816 PolarHBondContact OD1-N 3.23Å; N814-G816 PolarHBondContact OD1-O 2.96Å
815	E	77.8	Confident	86.7	Confident	167 Å²	167	47.1 Å²	47.1	78%	0.78	23%	0.226	S	C	*	.	S	Bend	trans	-77.9	-12.5	179.9	-55.6	-163.7	146	0	0	114.1	N740	N740-E815 WeakPolarHBondContact ND2-CG 3.18Å; N740-E815 WeakPolarHBondContact OD1-CA 2.97Å; N740-E815 VanDerWaalsContact OD1-CG 3.27Å; N740-E815 WeakPolarHBondContact OD1-CG 3.01Å; N740-E815 PolarHBondContact OD1-N 3.28Å
816	G	71.6	Confident	87	Confident	33 Å²	33	42.1 Å²	42.1	34%	0.34	20%	0.204	S	C	.	.	S	Bend	trans	-146.2	138.2	-165.9	0	0	0	0	0	114.3	N814	N814-G816 VanDerWaalsContact C-N 3.35Å; N814-G816 PolarHBondContact ND2-O 3.47Å; N814-G816 PolarHBondContact OD1-N 3.23Å; N814-G816 PolarHBondContact OD1-O 2.96Å
817	N	65.6	Low	87.3	Confident	111 Å²	111	35.7 Å²	35.7	59%	0.594	18%	0.18	S	C	*	.			trans	68.6	139.5	-170.8	-55.4	-45.2	0	0	0	113.9	P765 E767	P765-N817 HydrophobicContact CB-CB 3.94Å; P765-N817 HydrophobicContact CG-CB 3.84Å; E767-N817 PolarHBondContact OE1-ND2 2.71Å
818	S	81.4	Confident	87.3	Confident	31 Å²	31	35.8 Å²	35.8	22%	0.217	18%	0.181	C	C	.	.			trans	-145.3	142.6	179.4	165.3	0	0	0	0	107.1	K713 N736 Y737	K713-S818 PolarHBondContact NZ-OG 3.43Å; N736-S818 WeakPolarHBondContact CB-OG 3.27Å; Y737-S818 PolarHBondContact N-OG 2.96Å; Y737-S818 WeakPolarHBondContact O-CB 3.01Å; Y737-S818 PolarHBondContact O-OG 3.11Å
819	A	86	Confident	87.1	Confident	18 Å²	18	34.6 Å²	34.6	15%	0.149	18%	0.176	C	C	.	.			trans	-124.3	176	179.9	0	0	0	0	0	110.4	N736 Y737 Y763 P765 G821	N736-A819 VanDerWaalsContact CA-O 3.26Å; N736-A819 WeakPolarHBondContact CA-O 3.16Å; N736-A819 VanDerWaalsContact OD1-C 3.22Å; Y737-A819 WeakPolarHBondContact CD1-O 3.47Å; Y737-A819 HydrophobicContact CE1-CB 4.01Å; Y737-A819 VanDerWaalsContact CE1-O 3.23Å; Y737-A819 WeakPolarHBondContact CE1-O 3.38Å; Y737-A819 PolarHBondContact N-O 2.8Å; Y763-A819 VanDerWaalsContact O-CB 3.27Å; Y763-A819 WeakPolarHBondContact O-CB 3.14Å; P765-A819 HydrophobicContact CG-CB 4.19Å; A819-G821 PolarHBondContact O-N 2.67Å
820	K	86.9	Confident	86.8	Confident	109 Å²	109	36.6 Å²	36.6	47%	0.474	19%	0.187	S	C	.	.			trans	-56.1	-18.9	178	-63.2	-176.9	179.4	-176.3	0	113.7	Y733 G735 N736 Y763	Y733-K820 VanDerWaalsContact CD2-O 3.26Å; Y733-K820 WeakPolarHBondContact CD2-O 3.49Å; G735-K820 CarbonylContact O-C 3.56Å; N736-K820 PolarHBondContact OD1-N 3.49Å; Y763-K820 HydrophobicContact CD2-CB 3.95Å; Y763-K820 HydrophobicContact CD2-CD 4.4Å; Y763-K820 HydrophobicContact CG-CB 4.16Å
821	G	89.8	Confident	86.4	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74	-141.8	179.7	0	0	0	0	0	112.5	S730 Y763 A819	S730-G821 VanDerWaalsContact OG-CA 3.28Å; S730-G821 WeakPolarHBondContact OG-CA 3.37Å; Y763-G821 WeakPolarHBondContact CB-O 3.48Å; Y763-G821 PolarHBondContact N-O 3.02Å; Y763-G821 VanDerWaalsContact O-CA 3.31Å; Y763-G821 WeakPolarHBondContact O-CA 3.12Å; Y763-G821 PolarHBondContact O-N 3.15Å; A819-G821 PolarHBondContact O-N 2.67Å
822	F	91.1	Very high	86.1	Confident	1 Å²	1	44 Å²	44	0%	0.004	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	156.3	-170.6	56.6	-94.5	0	0	0	112.2	I728 E729 S730 Y733 I762 L774 F811 V824	I728-F822 HydrophobicContact CG2-CE2 4.3Å; E729-F822 VanDerWaalsContact CA-O 3.26Å; E729-F822 WeakPolarHBondContact CA-O 3.5Å; S730-F822 PolarHBondContact N-O 3.31Å; S730-F822 PolarHBondContact OG-N 2.84Å; S730-F822 PolarHBondContact OG-O 3.3Å; Y733-F822 VanDerWaalsContact CD2-C 3.46Å; I762-F822 HydrophobicContact CB-CB 4.3Å; I762-F822 HydrophobicContact CG1-CB 3.84Å; I762-F822 HydrophobicContact CG1-CG 4.47Å; I762-F822 HydrophobicContact CG2-CB 4.39Å; I762-F822 HydrophobicContact CG2-CD1 4.4Å; L774-F822 HydrophobicContact CD1-CE1 4.29Å; L774-F822 HydrophobicContact CD1-CE2 4.21Å; L774-F822 HydrophobicContact CD1-CZ 3.73Å; L774-F822 HydrophobicContact CD2-CD1 4.37Å; L774-F822 HydrophobicContact CD2-CD2 4.36Å; L774-F822 HydrophobicContact CD2-CE1 4.17Å; L774-F822 HydrophobicContact CD2-CE2 4.15Å; L774-F822 HydrophobicContact CD2-CG 4.48Å; L774-F822 HydrophobicContact CD2-CZ 4.06Å; L774-F822 HydrophobicContact CG-CZ 4.4Å; F811-F822 HydrophobicContact CB-CE1 4.37Å; F811-F822 HydrophobicContact CB-CZ 3.95Å; F811-F822 HydrophobicContact CD1-CE1 4.3Å; F811-F822 HydrophobicContact CD1-CZ 4.33Å; F811-F822 AromaticContact CD2-CE1 3.62Å; F811-F822 HydrophobicContact CD2-CE1 3.62Å; F811-F822 HydrophobicContact CD2-CZ 4.07Å; F811-F822 AromaticContact CE2-CE1 3.94Å; F811-F822 HydrophobicContact CE2-CE1 3.94Å; F811-F822 AromaticContact CG-CE1 3.82Å; F811-F822 HydrophobicContact CG-CE1 3.82Å; F811-F822 AromaticContact CG-CZ 3.84Å; F811-F822 HydrophobicContact CG-CZ 3.84Å; F811-F822 HydrophobicContact CZ-CE1 4.39Å; F822-V824 HydrophobicContact CD2-CG2 3.84Å
823	Q	89.3	Confident	85.8	Confident	40 Å²	40	40.8 Å²	40.8	19%	0.187	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	106.3	163.4	-176.6	174.6	76.7	0	0	108.2	Y727 I728 E729 Y733 P760	Y727-Q823 HydrophobicContact CD2-CG 4.34Å; I728-Q823 CarbonylContact O-C 3.55Å; I728-Q823 WeakPolarHBondContact O-CA 3.49Å; E729-Q823 HydrophobicContact CB-CB 4.35Å; E729-Q823 HydrophobicContact CB-CG 4.3Å; E729-Q823 PolarHBondContact OE2-NE2 3.49Å; Y733-Q823 HydrophobicContact CD1-CB 3.7Å; Y733-Q823 HydrophobicContact CD1-CG 4.49Å; Y733-Q823 HydrophobicContact CD2-CB 4.49Å; Y733-Q823 HydrophobicContact CE1-CB 3.43Å; Y733-Q823 VanDerWaalsContact CE1-CB 3.43Å; Y733-Q823 HydrophobicContact CE1-CG 4.35Å; Y733-Q823 HydrophobicContact CE2-CB 4.3Å; Y733-Q823 HydrophobicContact CG-CB 4.23Å; P760-Q823 WeakPolarHBondContact CD-O 3.05Å
824	V	89.4	Confident	85.5	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	132	-179.5	174.4	0	0	0	0	109	Y727 I728 I757 V759 M776 F822	Y727-V824 CarbonylContact C-O 3.58Å; Y727-V824 WeakPolarHBondContact CA-O 3.48Å; I728-V824 PolarHBondContact N-O 2.96Å; I728-V824 PolarHBondContact O-N 3.1Å; I757-V824 HydrophobicContact CG2-CG1 3.53Å; V759-V824 HydrophobicContact CG1-CG2 4.24Å; V759-V824 HydrophobicContact CG2-CG1 3.99Å; V759-V824 HydrophobicContact CG2-CG2 4.1Å; M776-V824 HydrophobicContact CE-CG1 4.28Å; F822-V824 HydrophobicContact CD2-CG2 3.84Å
825	L	86.9	Confident	85.2	Confident	33 Å²	33	48.9 Å²	48.9	17%	0.173	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	146.8	-179.6	-71	152.9	0	0	0	110.2	V758 P760 F866	V758-L825 HydrophobicContact CB-CB 4.41Å; V758-L825 PolarHBondContact N-O 3.22Å; V758-L825 PolarHBondContact O-N 3.47Å; P760-L825 HydrophobicContact CG-CD1 4.13Å; L825-F866 HydrophobicContact CB-CE2 3.59Å; L825-F866 HydrophobicContact CB-CZ 3.47Å; L825-F866 VanDerWaalsContact CB-CZ 3.47Å; L825-F866 HydrophobicContact CD1-CE2 4.16Å; L825-F866 HydrophobicContact CD1-CZ 3.88Å; L825-F866 HydrophobicContact CD2-CE2 3.91Å; L825-F866 HydrophobicContact CD2-CZ 4.44Å; L825-F866 HydrophobicContact CG-CE2 4.09Å; L825-F866 HydrophobicContact CG-CZ 4.13Å
826	Y	89.8	Confident	85.5	Confident	7 Å²	7	41.1 Å²	41.1	3%	0.027	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	148	171.8	77.2	-87.4	0	0	0	111.5	L721 G722 S725 G726 I728 I747 L756 T828	L721-Y826 HydrophobicContact CB-CE1 4.2Å; L721-Y826 HydrophobicContact CD1-CE1 4Å; G722-Y826 PolarHBondContact N-OH 2.97Å; S725-Y826 CarbonylContact C-O 3.52Å; S725-Y826 VanDerWaalsContact CA-O 3.25Å; S725-Y826 WeakPolarHBondContact CA-O 3.45Å; S725-Y826 WeakPolarHBondContact CB-O 3.33Å; G726-Y826 VanDerWaalsContact C-CD1 3.42Å; G726-Y826 PolarHBondContact N-O 3.3Å; G726-Y826 WeakPolarHBondContact O-CD1 3.03Å; G726-Y826 PolarHBondContact O-N 2.81Å; I728-Y826 HydrophobicContact CD1-CD1 4.49Å; I747-Y826 HydrophobicContact CD1-CD1 3.97Å; I747-Y826 HydrophobicContact CD1-CD2 4.05Å; I747-Y826 HydrophobicContact CD1-CG 3.73Å; I747-Y826 HydrophobicContact CG2-CD2 4Å; I747-Y826 HydrophobicContact CG2-CE2 3.94Å; L756-Y826 WeakPolarHBondContact O-CA 3.44Å; Y826-T828 HydrophobicContact CD2-CG2 4.41Å; Y826-T828 HydrophobicContact CE2-CG2 4.48Å
827	V	89.2	Confident	86.1	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.012	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	145.1	172.4	64.7	0	0	0	0	109.2	F724 L756 F866 A870	F724-V827 CarbonylContact O-C 3.47Å; L756-V827 HydrophobicContact CB-CG1 3.81Å; L756-V827 HydrophobicContact CD2-CG1 3.8Å; L756-V827 HydrophobicContact CG-CG1 4.09Å; L756-V827 PolarHBondContact N-O 3.38Å; L756-V827 PolarHBondContact O-N 3.12Å; V827-F866 HydrophobicContact CB-CD2 4.46Å; V827-F866 HydrophobicContact CB-CG 4.47Å; V827-A870 HydrophobicContact CG2-CB 3.79Å
828	T	90.3	Very high	86.8	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	131.3	175.6	79.9	0	0	0	0	109.6	E723 F724 P749 R753 R754 Y826	E723-T828 VanDerWaalsContact O-CG2 3.31Å; E723-T828 WeakPolarHBondContact O-CG2 3.07Å; E723-T828 PolarHBondContact O-OG1 3.04Å; F724-T828 VanDerWaalsContact CA-OG1 3.31Å; F724-T828 WeakPolarHBondContact CA-OG1 3.01Å; F724-T828 PolarHBondContact O-N 2.64Å; F724-T828 PolarHBondContact O-OG1 2.9Å; P749-T828 HydrophobicContact CB-CG2 3.86Å; R753-T828 WeakPolarHBondContact CD-OG1 3.3Å; R754-T828 CarbonylContact O-C 3.52Å; R754-T828 WeakPolarHBondContact O-CA 3.45Å; R754-T828 WeakPolarHBondContact O-CB 3.37Å; Y826-T828 HydrophobicContact CD2-CG2 4.41Å; Y826-T828 HydrophobicContact CE2-CG2 4.48Å
829	Y	89	Confident	86.8	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	158.9	-175.6	65.7	-87.7	0	0	0	109.8	R753 R754 L756 T801 Q834 I837	R753-Y829 CarbonylContact C-O 3.12Å; R753-Y829 WeakPolarHBondContact CA-O 3.36Å; R753-Y829 WeakPolarHBondContact CB-O 3.46Å; R754-Y829 HydrophobicContact CB-CD1 4.48Å; R754-Y829 HydrophobicContact CB-CE1 3.85Å; R754-Y829 HydrophobicContact CB-CE2 3.95Å; R754-Y829 PolarHBondContact N-O 3.25Å; R754-Y829 PolarHBondContact O-N 2.81Å; L756-Y829 HydrophobicContact CB-CD1 3.84Å; L756-Y829 HydrophobicContact CB-CE1 3.8Å; T801-Y829 HydrophobicContact CG2-CE1 4.06Å; T801-Y829 VanDerWaalsContact CG2-OH 3.24Å; T801-Y829 WeakPolarHBondContact CG2-OH 3.23Å; Y829-Q834 HydrophobicContact CE2-CB 4.39Å; Y829-I837 HydrophobicContact CD2-CG1 3.88Å; Y829-I837 HydrophobicContact CE1-CG2 4.18Å; Y829-I837 HydrophobicContact CE2-CB 4.26Å; Y829-I837 HydrophobicContact CE2-CG1 4.06Å; Y829-I837 HydrophobicContact CG-CG1 4.23Å
830	D	87.9	Confident	86.3	Confident	43 Å²	43	37.4 Å²	37.4	23%	0.23	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	135.3	179.5	-156.2	-52.1	0	0	0	111.1	D832 Y833	D830-D832 PolarHBondContact O-N 3.14Å; D830-D832 VanDerWaalsContact O-N 3.1Å; D830-D832 PolarHBondContact OD1-N 2.91Å; D830-Y833 HydrophobicContact CB-CD2 3.72Å; D830-Y833 HydrophobicContact CB-CE2 3.92Å; D830-Y833 PolarHBondContact O-N 2.88Å
831	E	87	Confident	85.7	Confident	45 Å²	45	33.5 Å²	33.5	21%	0.21	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-53.7	-29.5	178.1	-81.6	178.3	177.7	0	0	112.6	K752 R754 K805 Y833 Q834	K752-E831 PolarHBondContact O-N 3.36Å; R754-E831 HydrophobicContact CG-CG 3.66Å; K805-E831 VanDerWaalsContact CE-OE1 3.23Å; K805-E831 WeakPolarHBondContact CE-OE1 3.22Å; K805-E831 VanDerWaalsContact NZ-CD 3.32Å; K805-E831 IonicContact NZ-OE1 2.83Å; K805-E831 PolarHBondContact NZ-OE1 2.79Å; K805-E831 IonicContact NZ-OE2 2.98Å; K805-E831 PolarHBondContact NZ-OE2 3.28Å; K805-E831 VanDerWaalsContact NZ-OE2 3.07Å; E831-Y833 PolarHBondContact O-N 3.38Å; E831-Q834 VanDerWaalsContact O-CB 3.31Å; E831-Q834 WeakPolarHBondContact O-CB 3.35Å; E831-Q834 PolarHBondContact O-N 3.19Å
832	D	86.9	Confident	84.9	Confident	130 Å²	130	42.1 Å²	42.1	70%	0.695	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-64.6	-21.2	179.2	-66.7	-15.4	0	0	0	113.5	D830	D830-D832 PolarHBondContact O-N 3.14Å; D830-D832 VanDerWaalsContact O-N 3.1Å; D830-D832 PolarHBondContact OD1-N 2.91Å
833	Y	86.3	Confident	83.5	Confident	50 Å²	50	44.8 Å²	44.8	20%	0.196	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-96.7	7.6	179.2	-57.7	-54	0	0	0	113.8	D830 E831 E835 L836 I837 P872 F902 F903	D830-Y833 HydrophobicContact CB-CD2 3.72Å; D830-Y833 HydrophobicContact CB-CE2 3.92Å; D830-Y833 PolarHBondContact O-N 2.88Å; E831-Y833 PolarHBondContact O-N 3.38Å; Y833-E835 VanDerWaalsContact C-N 3.34Å; Y833-E835 PolarHBondContact O-N 3.06Å; Y833-L836 PolarHBondContact O-N 2.68Å; Y833-L836 VanDerWaalsContact O-N 3.14Å; Y833-I837 WeakPolarHBondContact O-CG1 3.19Å; Y833-I837 PolarHBondContact O-N 2.74Å; Y833-I837 VanDerWaalsContact O-N 3.08Å; Y833-P872 HydrophobicContact CD1-CG 4.14Å; Y833-P872 HydrophobicContact CD2-CG 4.1Å; Y833-P872 HydrophobicContact CG-CG 3.89Å; Y833-F902 AromaticContact CD1-CE1 3.84Å; Y833-F902 HydrophobicContact CD1-CE1 3.84Å; Y833-F902 HydrophobicContact CD1-CZ 4.26Å; Y833-F902 HydrophobicContact CE1-CE1 4.28Å; Y833-F903 HydrophobicContact CE1-CE1 4.31Å; Y833-F903 HydrophobicContact CE1-CZ 4.14Å
834	Q	85	Confident	81.9	Confident	52 Å²	52	44.5 Å²	44.5	24%	0.243	22%	0.219	C	C	.	.	H	α-helix	trans	-53.4	-45.5	-173.5	-176.1	-179.4	-15.1	0	0	113.4	Y829 E831 L836 I837 E838	Y829-Q834 HydrophobicContact CE2-CB 4.39Å; E831-Q834 VanDerWaalsContact O-CB 3.31Å; E831-Q834 WeakPolarHBondContact O-CB 3.35Å; E831-Q834 PolarHBondContact O-N 3.19Å; Q834-L836 PolarHBondContact O-N 3.04Å; Q834-I837 PolarHBondContact O-N 3.22Å; Q834-E838 HydrophobicContact CG-CG 4.29Å; Q834-E838 WeakPolarHBondContact CG-OE1 3.5Å; Q834-E838 PolarHBondContact NE2-OE1 3.33Å; Q834-E838 WeakPolarHBondContact O-CB 3.49Å; Q834-E838 WeakPolarHBondContact O-CG 3.32Å; Q834-E838 PolarHBondContact O-N 2.67Å
835	E	83.1	Confident	80.2	Confident	152 Å²	152	51.6 Å²	51.6	71%	0.71	25%	0.246	S	C	*	.	H	α-helix	trans	-63.1	-39.9	-179	-66.1	-172.8	170.2	0	0	112.9	Y833 D839 F902	Y833-E835 VanDerWaalsContact C-N 3.34Å; Y833-E835 PolarHBondContact O-N 3.06Å; E835-D839 WeakPolarHBondContact O-CB 3.4Å; E835-D839 PolarHBondContact O-N 2.92Å; E835-F902 HydrophobicContact CB-CE2 4.36Å
836	L	83.8	Confident	78.7	Confident	5 Å²	5	50.3 Å²	50.3	3%	0.026	24%	0.239	C	C	.	.	H	α-helix	trans	-65.2	-46.5	176.8	174.8	59.9	0	0	0	110.9	Y833 Q834 D839 I840 P872 K898 F902	Y833-L836 PolarHBondContact O-N 2.68Å; Y833-L836 VanDerWaalsContact O-N 3.14Å; Q834-L836 PolarHBondContact O-N 3.04Å; L836-D839 PolarHBondContact O-N 2.75Å; L836-I840 HydrophobicContact CD1-CD1 3.86Å; L836-I840 HydrophobicContact CD1-CG1 4.24Å; L836-I840 HydrophobicContact CG-CD1 3.93Å; L836-I840 WeakPolarHBondContact O-CB 3.16Å; L836-I840 VanDerWaalsContact O-CG1 3.26Å; L836-I840 WeakPolarHBondContact O-CG1 3.43Å; L836-I840 PolarHBondContact O-N 2.74Å; L836-P872 HydrophobicContact CD2-CB 3.67Å; L836-P872 HydrophobicContact CD2-CG 3.79Å; L836-K898 HydrophobicContact CD1-CB 4.15Å; L836-F902 HydrophobicContact CB-CB 4.4Å; L836-F902 HydrophobicContact CB-CD1 4.31Å; L836-F902 HydrophobicContact CB-CD2 3.76Å; L836-F902 HydrophobicContact CB-CE2 4.05Å; L836-F902 HydrophobicContact CB-CG 3.9Å; L836-F902 HydrophobicContact CB-CZ 4.44Å; L836-F902 HydrophobicContact CD1-CB 3.93Å; L836-F902 HydrophobicContact CD1-CG 4.35Å; L836-F902 HydrophobicContact CD2-CB 4.27Å; L836-F902 HydrophobicContact CD2-CD1 4.01Å; L836-F902 HydrophobicContact CD2-CG 4.12Å; L836-F902 HydrophobicContact CG-CB 4.42Å; L836-F902 HydrophobicContact CG-CG 4.34Å
837	I	83.3	Confident	77.2	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-66.4	-41.6	-179.1	-59.8	-59.7	0	0	0	110.7	L756 T801 Y829 Y833 Q834 I840 V841 L869	L756-I837 HydrophobicContact CD1-CG2 4.25Å; L756-I837 HydrophobicContact CD2-CG2 4.13Å; T801-I837 HydrophobicContact CG2-CG2 3.8Å; Y829-I837 HydrophobicContact CD2-CG1 3.88Å; Y829-I837 HydrophobicContact CE1-CG2 4.18Å; Y829-I837 HydrophobicContact CE2-CB 4.26Å; Y829-I837 HydrophobicContact CE2-CG1 4.06Å; Y829-I837 HydrophobicContact CG-CG1 4.23Å; Y833-I837 WeakPolarHBondContact O-CG1 3.19Å; Y833-I837 PolarHBondContact O-N 2.74Å; Y833-I837 VanDerWaalsContact O-N 3.08Å; Q834-I837 PolarHBondContact O-N 3.22Å; I837-I840 PolarHBondContact O-N 2.95Å; I837-V841 HydrophobicContact CG2-CG2 4.33Å; I837-V841 WeakPolarHBondContact O-CB 3.23Å; I837-V841 VanDerWaalsContact O-CG2 3.25Å; I837-V841 WeakPolarHBondContact O-CG2 3.15Å; I837-V841 PolarHBondContact O-N 3.45Å; I837-L869 HydrophobicContact CD1-CB 4.39Å; I837-L869 HydrophobicContact CD1-CD2 3.8Å; I837-L869 WeakPolarHBondContact CD1-O 3.27Å
838	E	81.7	Confident	75.4	Confident	71 Å²	71	55 Å²	55	33%	0.332	27%	0.273	S	S	.	.	H	α-helix	trans	-64	-38.9	175	-74.8	-178.9	-174.2	0	0	112.2	T801 Q834 V841 R842	T801-E838 HydrophobicContact CG2-CG 4.47Å; Q834-E838 HydrophobicContact CG-CG 4.29Å; Q834-E838 WeakPolarHBondContact CG-OE1 3.5Å; Q834-E838 PolarHBondContact NE2-OE1 3.33Å; Q834-E838 WeakPolarHBondContact O-CB 3.49Å; Q834-E838 WeakPolarHBondContact O-CG 3.32Å; Q834-E838 PolarHBondContact O-N 2.67Å; E838-V841 PolarHBondContact O-N 3.06Å; E838-R842 WeakPolarHBondContact O-CB 3.4Å; E838-R842 PolarHBondContact O-N 3.02Å
839	D	79.4	Confident	74	Confident	34 Å²	34	56 Å²	56	18%	0.182	28%	0.28	C	S	.	.	H	α-helix	trans	-68.9	-34.5	176.2	-165.8	49.2	0	0	0	112.6	E835 L836 R842 D843 K898	E835-D839 WeakPolarHBondContact O-CB 3.4Å; E835-D839 PolarHBondContact O-N 2.92Å; L836-D839 PolarHBondContact O-N 2.75Å; D839-R842 IonicContact OD1-CZ 3.96Å; D839-R842 IonicContact OD1-NH2 3.25Å; D839-R842 PolarHBondContact OD1-NH2 2.82Å; D839-D843 PolarHBondContact O-N 2.94Å; D839-K898 IonicContact OD1-NZ 2.81Å; D839-K898 WeakPolarHBondContact OD2-CD 3.38Å; D839-K898 WeakPolarHBondContact OD2-CE 3.5Å; D839-K898 IonicContact OD2-NZ 2.83Å; D839-K898 PolarHBondContact OD2-NZ 3.32Å
840	I	76.3	Confident	72.7	Confident	8 Å²	8	58.8 Å²	58.8	4%	0.041	30%	0.297	C	S	.	.	H	α-helix	trans	-65.6	-46	173.5	-73.8	170.2	0	0	0	110.7	L836 I837 L846 L869 K898	L836-I840 HydrophobicContact CD1-CD1 3.86Å; L836-I840 HydrophobicContact CD1-CG1 4.24Å; L836-I840 HydrophobicContact CG-CD1 3.93Å; L836-I840 WeakPolarHBondContact O-CB 3.16Å; L836-I840 VanDerWaalsContact O-CG1 3.26Å; L836-I840 WeakPolarHBondContact O-CG1 3.43Å; L836-I840 PolarHBondContact O-N 2.74Å; I837-I840 PolarHBondContact O-N 2.95Å; I840-L846 HydrophobicContact CG2-CD1 3.19Å; I840-L846 HydrophobicContact CG2-CG 4.45Å; I840-L869 HydrophobicContact CD1-CD2 4.39Å; I840-L869 HydrophobicContact CG2-CD2 4.26Å; I840-K898 HydrophobicContact CG1-CB 4.01Å; I840-K898 HydrophobicContact CG1-CG 4.23Å
841	V	75.4	Confident	71.4	Confident	28 Å²	28	57.4 Å²	57.4	17%	0.17	29%	0.29	C	S	.	.	H	α-helix	trans	-71.6	-42.6	-178.4	171.9	0	0	0	0	112	L756 A799 I837 E838 D843 G844	L756-V841 HydrophobicContact CD1-CG2 3.89Å; A799-V841 HydrophobicContact CB-CG2 4.35Å; A799-V841 WeakPolarHBondContact O-CG1 3.09Å; I837-V841 HydrophobicContact CG2-CG2 4.33Å; I837-V841 WeakPolarHBondContact O-CB 3.23Å; I837-V841 VanDerWaalsContact O-CG2 3.25Å; I837-V841 WeakPolarHBondContact O-CG2 3.15Å; I837-V841 PolarHBondContact O-N 3.45Å; E838-V841 PolarHBondContact O-N 3.06Å; V841-D843 PolarHBondContact O-N 2.71Å; V841-G844 PolarHBondContact O-N 3.28Å
842	R	71.1	Confident	70.4	Confident	180 Å²	180	56 Å²	56	68%	0.679	28%	0.284	S	S	*	.	H	α-helix	trans	-68.1	-31.7	-176.9	-176.1	-177.7	64.8	-150.6	-4.9	113.6	E838 D839 G844	E838-R842 WeakPolarHBondContact O-CB 3.4Å; E838-R842 PolarHBondContact O-N 3.02Å; D839-R842 IonicContact OD1-CZ 3.96Å; D839-R842 IonicContact OD1-NH2 3.25Å; D839-R842 PolarHBondContact OD1-NH2 2.82Å; R842-G844 PolarHBondContact O-N 2.03Å; R842-G844 VanDerWaalsContact O-N 3.17Å
843	D	62.1	Low	69.4	Low	58 Å²	58	51.8 Å²	51.8	31%	0.31	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.1	179.9	-149.3	-29.2	0	0	0	111.6	D839 V841 R845 F894 K898	D839-D843 PolarHBondContact O-N 2.94Å; V841-D843 PolarHBondContact O-N 2.71Å; D843-R845 PolarHBondContact O-N 3.19Å; D843-R845 WeakPolarHBondContact OD1-CD 3.31Å; D843-R845 WeakPolarHBondContact OD1-CG 3.35Å; D843-R845 IonicContact OD1-NE 2.74Å; D843-R845 PolarHBondContact OD1-NE 2.89Å; D843-F894 HydrophobicContact CB-CE2 3.96Å; D843-F894 HydrophobicContact CB-CZ 3.98Å; D843-F894 WeakPolarHBondContact OD2-CE2 3.37Å; D843-K898 WeakPolarHBondContact OD2-CE 3.26Å; D843-K898 IonicContact OD2-NZ 3.96Å; D843-K898 PolarHBondContact OD2-NZ 3.15Å
844	G	55.7	Low	68.5	Low	33 Å²	33	50.1 Å²	50.1	34%	0.34	25%	0.254	S	S	.	.			trans	63.8	-11	176.6	0	0	0	0	0	115	V841 R842 L846 Y847 A848	V841-G844 PolarHBondContact O-N 3.28Å; R842-G844 PolarHBondContact O-N 2.03Å; R842-G844 VanDerWaalsContact O-N 3.17Å; G844-L846 PolarHBondContact O-N 3.27Å; G844-Y847 PolarHBondContact O-N 2.88Å; G844-A848 PolarHBondContact O-N 2.88Å; G844-A848 VanDerWaalsContact O-N 3.16Å
845	R	54.6	Low	67.6	Low	151 Å²	151	47.9 Å²	47.9	57%	0.57	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-22.9	179.8	-72.5	-176.2	-172.3	-130	-1.8	113.7	D843 Y847 H852 F894	D843-R845 PolarHBondContact O-N 3.19Å; D843-R845 WeakPolarHBondContact OD1-CD 3.31Å; D843-R845 WeakPolarHBondContact OD1-CG 3.35Å; D843-R845 IonicContact OD1-NE 2.74Å; D843-R845 PolarHBondContact OD1-NE 2.89Å; R845-Y847 PolarHBondContact O-N 3.05Å; R845-Y847 VanDerWaalsContact O-N 3.13Å; R845-H852 PolarHBondContact O-ND1 3.2Å; R845-F894 HydrophobicContact CB-CD2 3.89Å; R845-F894 HydrophobicContact CB-CE2 3.6Å; R845-F894 HydrophobicContact CB-CZ 4.02Å; R845-F894 HydrophobicContact CG-CE2 4.25Å
846	L	55.9	Low	66.8	Low	5 Å²	5	41 Å²	41	3%	0.026	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-25.8	167.4	-107	153	0	0	0	112.4	I840 G844 H852 L865 F891 F894	I840-L846 HydrophobicContact CG2-CD1 3.19Å; I840-L846 HydrophobicContact CG2-CG 4.45Å; G844-L846 PolarHBondContact O-N 3.27Å; L846-H852 WeakPolarHBondContact O-CB 3.07Å; L846-L865 HydrophobicContact CD2-CD2 4.04Å; L846-F891 HydrophobicContact CD2-CE2 3.62Å; L846-F891 HydrophobicContact CD2-CZ 4.01Å; L846-F891 HydrophobicContact CG-CE2 4.4Å; L846-F894 HydrophobicContact CD1-CE1 4.22Å; L846-F894 HydrophobicContact CG-CE1 3.97Å
847	Y	56.8	Low	66	Low	28 Å²	28	43.9 Å²	43.9	11%	0.11	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.8	1.5	-172.6	-49.7	-54.6	0	0	0	113.3	P797 A799 G844 R845 Q853 L856	P797-Y847 HydrophobicContact CB-CD1 3.66Å; P797-Y847 HydrophobicContact CB-CE1 4.01Å; P797-Y847 HydrophobicContact CB-CG 4.25Å; P797-Y847 HydrophobicContact CG-CD1 3.51Å; P797-Y847 HydrophobicContact CG-CE1 4.31Å; P797-Y847 HydrophobicContact CG-CG 4Å; A799-Y847 HydrophobicContact CB-CE2 3.88Å; A799-Y847 WeakPolarHBondContact CB-OH 3.46Å; G844-Y847 PolarHBondContact O-N 2.88Å; R845-Y847 PolarHBondContact O-N 3.05Å; R845-Y847 VanDerWaalsContact O-N 3.13Å; Y847-Q853 PolarHBondContact O-NE2 3.46Å; Y847-L856 HydrophobicContact CD1-CD1 3.45Å; Y847-L856 VanDerWaalsContact CD1-CD1 3.45Å; Y847-L856 HydrophobicContact CE1-CD1 3.33Å; Y847-L856 HydrophobicContact CE1-CD2 3.7Å; Y847-L856 HydrophobicContact CE1-CG 4.11Å
848	A	51.8	Low	65.3	Low	79 Å²	79	44.4 Å²	44.4	65%	0.653	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-31.5	-172.3	0	0	0	0	0	114	G844	G844-A848 PolarHBondContact O-N 2.88Å; G844-A848 VanDerWaalsContact O-N 3.16Å
849	S	61	Low	64.8	Low	22 Å²	22	43.6 Å²	43.6	15%	0.154	22%	0.222	C	C	.	.	S	Bend	trans	-97	141.4	173	71	0	0	0	0	110	N851 H852 Q853	S849-N851 PolarHBondContact O-N 2.9Å; S849-H852 PolarHBondContact O-N 3.26Å; S849-H852 PolarHBondContact OG-CD2 3.38Å; S849-H852 PolarHBondContact OG-N 3.09Å; S849-H852 PolarHBondContact OG-ND1 3.16Å; S849-Q853 PolarHBondContact O-N 2.95Å
850	V	61.9	Low	64.4	Low	59 Å²	59	46 Å²	46	36%	0.358	23%	0.231	S	C	.	.	H	α-helix	trans	-54.9	-34.9	174.9	178.8	0	0	0	0	110.3	H852 Q853 E854	V850-H852 PolarHBondContact O-N 3.18Å; V850-Q853 WeakPolarHBondContact O-CB 3.11Å; V850-Q853 PolarHBondContact O-N 2.82Å; V850-Q853 VanDerWaalsContact O-N 3.15Å; V850-E854 PolarHBondContact O-N 3.16Å
851	N	61.2	Low	64.2	Low	15 Å²	15	45.9 Å²	45.9	8%	0.08	23%	0.23	C	C	.	.	H	α-helix	trans	-62	-36.7	175.5	-66.2	-32.8	0	0	0	114.2	C215 N216 L223 S849 Q853 I855	C215-N851 PolarHBondContact O-ND2 3.24Å; C215-N851 PolarHBondContact O-OD1 3.19Å; C215-N851 VanDerWaalsContact O-OD1 3.08Å; N216-N851 PolarHBondContact OD1-OD1 3.23Å; L223-N851 HydrophobicContact CD2-CB 4.49Å; L223-N851 WeakPolarHBondContact CD2-ND2 3.4Å; S849-N851 PolarHBondContact O-N 2.9Å; N851-Q853 VanDerWaalsContact C-N 3.35Å; N851-I855 WeakPolarHBondContact O-CG1 3.47Å
852	H	64.6	Low	64.1	Low	16 Å²	16	45 Å²	45	7%	0.074	22%	0.224	C	C	.	.	H	α-helix	trans	-76.9	-22.6	175.9	-60.9	163.3	0	0	0	112.7	R845 L846 S849 V850 I855 S890 F891	R845-H852 PolarHBondContact O-ND1 3.2Å; L846-H852 WeakPolarHBondContact O-CB 3.07Å; S849-H852 PolarHBondContact O-N 3.26Å; S849-H852 PolarHBondContact OG-CD2 3.38Å; S849-H852 PolarHBondContact OG-N 3.09Å; S849-H852 PolarHBondContact OG-ND1 3.16Å; V850-H852 PolarHBondContact O-N 3.18Å; H852-I855 HydrophobicContact CB-CD1 4.37Å; H852-I855 WeakPolarHBondContact O-CB 3.47Å; H852-I855 PolarHBondContact O-N 3.21Å; H852-S890 PolarHBondContact NE2-OG 3.07Å; H852-F891 AromaticContact CD2-CD2 3.97Å
853	Q	66.9	Low	64.3	Low	40 Å²	40	44 Å²	44	19%	0.187	23%	0.225	C	C	.	.	H	α-helix	trans	-69.5	-39.9	177	-60.6	178.9	-6	0	0	111.6	P797 Y847 S849 V850 N851 I855 L856	P797-Q853 HydrophobicContact CG-CB 3.99Å; P797-Q853 HydrophobicContact CG-CG 3.67Å; Y847-Q853 PolarHBondContact O-NE2 3.46Å; S849-Q853 PolarHBondContact O-N 2.95Å; V850-Q853 WeakPolarHBondContact O-CB 3.11Å; V850-Q853 PolarHBondContact O-N 2.82Å; V850-Q853 VanDerWaalsContact O-N 3.15Å; N851-Q853 VanDerWaalsContact C-N 3.35Å; Q853-I855 VanDerWaalsContact C-N 3.26Å; Q853-I855 PolarHBondContact O-N 3.44Å; Q853-L856 PolarHBondContact O-N 3.24Å; Q853-L856 VanDerWaalsContact O-N 3.17Å
854	E	67.2	Low	64.8	Low	16 Å²	16	41.6 Å²	41.6	8%	0.075	21%	0.213	C	C	.	.	H	α-helix	trans	-69.6	-22.2	177.2	-60.8	-60.2	122.6	0	0	112.6	V850 L856 K857 D858	V850-E854 PolarHBondContact O-N 3.16Å; E854-L856 PolarHBondContact O-N 3.47Å; E854-K857 WeakPolarHBondContact O-CB 3.46Å; E854-K857 PolarHBondContact O-N 2.83Å; E854-K857 IonicContact OE1-NZ 2.69Å; E854-K857 PolarHBondContact OE1-NZ 3.04Å; E854-K857 WeakPolarHBondContact OE2-CD 3.47Å; E854-K857 IonicContact OE2-NZ 3.79Å; E854-D858 PolarHBondContact O-N 3.05Å
855	I	66.4	Low	65.8	Low	4 Å²	4	40.4 Å²	40.4	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-58.5	-34.7	171.4	-61.5	175.7	0	0	0	110.8	N851 H852 Q853 K857 D858 L861 M862 F887 P888 F891	N851-I855 WeakPolarHBondContact O-CG1 3.47Å; H852-I855 HydrophobicContact CB-CD1 4.37Å; H852-I855 WeakPolarHBondContact O-CB 3.47Å; H852-I855 PolarHBondContact O-N 3.21Å; Q853-I855 VanDerWaalsContact C-N 3.26Å; Q853-I855 PolarHBondContact O-N 3.44Å; I855-K857 PolarHBondContact O-N 3.36Å; I855-D858 PolarHBondContact O-N 3.47Å; I855-L861 HydrophobicContact CG2-CB 3.78Å; I855-L861 HydrophobicContact CG2-CD1 4.22Å; I855-L861 HydrophobicContact CG2-CG 4.5Å; I855-M862 HydrophobicContact CG2-CE 3.97Å; I855-F887 HydrophobicContact CG2-CD1 4.48Å; I855-F887 HydrophobicContact CG2-CE1 4.42Å; I855-P888 HydrophobicContact CD1-CG 3.87Å; I855-P888 HydrophobicContact CG1-CG 4.31Å; I855-F891 HydrophobicContact CD1-CB 4.02Å; I855-F891 HydrophobicContact CD1-CD1 4.45Å; I855-F891 HydrophobicContact CD1-CD2 3.75Å; I855-F891 HydrophobicContact CD1-CE2 4.32Å; I855-F891 HydrophobicContact CD1-CG 3.82Å
856	L	66.4	Low	67	Low	9 Å²	9	34.1 Å²	34.1	5%	0.047	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-14.6	-179.1	-57.9	140.5	0	0	0	113.1	V758 P797 Y847 Q853 E854 M862	V758-L856 HydrophobicContact CG1-CD2 3.79Å; P797-L856 HydrophobicContact CB-CD1 3.32Å; P797-L856 HydrophobicContact CG-CD1 3.41Å; P797-L856 VanDerWaalsContact CG-CD1 3.41Å; Y847-L856 HydrophobicContact CD1-CD1 3.45Å; Y847-L856 VanDerWaalsContact CD1-CD1 3.45Å; Y847-L856 HydrophobicContact CE1-CD1 3.33Å; Y847-L856 HydrophobicContact CE1-CD2 3.7Å; Y847-L856 HydrophobicContact CE1-CG 4.11Å; Q853-L856 PolarHBondContact O-N 3.24Å; Q853-L856 VanDerWaalsContact O-N 3.17Å; E854-L856 PolarHBondContact O-N 3.47Å; L856-M862 HydrophobicContact CB-CE 4.12Å; L856-M862 HydrophobicContact CB-CG 4.45Å; L856-M862 HydrophobicContact CB-SD 4.04Å; L856-M862 HydrophobicContact CD2-CE 3.45Å; L856-M862 VanDerWaalsContact CD2-CE 3.45Å; L856-M862 HydrophobicContact CD2-SD 3.44Å; L856-M862 WeakPolarHBondContact CD2-SD 3.37Å; L856-M862 HydrophobicContact CG-CE 3.79Å; L856-M862 HydrophobicContact CG-SD 4.09Å; L856-M862 VanDerWaalsContact O-CG 3.24Å; L856-M862 WeakPolarHBondContact O-CG 3.45Å
857	K	65.4	Low	68.1	Low	64 Å²	64	36.1 Å²	36.1	28%	0.278	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-25.8	175.5	-61.3	177.9	-177.7	169.3	0	111.4	I233 E854 I855 K859	I233-K857 HydrophobicContact CD1-CB 4.1Å; E854-K857 WeakPolarHBondContact O-CB 3.46Å; E854-K857 PolarHBondContact O-N 2.83Å; E854-K857 IonicContact OE1-NZ 2.69Å; E854-K857 PolarHBondContact OE1-NZ 3.04Å; E854-K857 WeakPolarHBondContact OE2-CD 3.47Å; E854-K857 IonicContact OE2-NZ 3.79Å; I855-K857 PolarHBondContact O-N 3.36Å; K857-K859 PolarHBondContact O-N 3.38Å
858	D	69.8	Low	69.2	Low	12 Å²	12	35.3 Å²	35.3	6%	0.064	18%	0.184	C	C	.	.			trans	-75.4	109.3	169.1	-176.4	-40.7	0	0	0	110.9	K222 I233 E854 I855 K860 L861 M862	K222-D858 HydrophobicContact CD-CB 4.44Å; K222-D858 WeakPolarHBondContact CD-OD2 3.08Å; K222-D858 WeakPolarHBondContact CE-OD2 3.46Å; K222-D858 IonicContact NZ-OD2 3.51Å; K222-D858 PolarHBondContact NZ-OD2 3Å; I233-D858 HydrophobicContact CG2-CB 4.14Å; E854-D858 PolarHBondContact O-N 3.05Å; I855-D858 PolarHBondContact O-N 3.47Å; D858-K860 VanDerWaalsContact C-N 3.28Å; D858-K860 PolarHBondContact O-N 3.21Å; D858-K860 WeakPolarHBondContact OD1-CA 3.48Å; D858-K860 VanDerWaalsContact OD1-CB 3.28Å; D858-K860 WeakPolarHBondContact OD1-CB 3.49Å; D858-K860 PolarHBondContact OD1-N 2.98Å; D858-L861 HydrophobicContact CB-CB 4.05Å; D858-L861 HydrophobicContact CB-CD1 3.81Å; D858-L861 HydrophobicContact CB-CG 4.17Å; D858-L861 PolarHBondContact O-N 2.96Å; D858-L861 PolarHBondContact OD1-N 3.43Å; D858-M862 WeakPolarHBondContact O-CB 3.46Å; D858-M862 PolarHBondContact O-N 3.37Å
859	K	70.1	Confident	70.4	Confident	54 Å²	54	32 Å²	32	24%	0.235	16%	0.155	C	C	.	.	H	α-helix	trans	-64.2	-29.1	-176.9	-63.1	-177.3	-178	179.1	0	113.4	F238 T241 K857 K863	F238-K859 HydrophobicContact CB-CB 4.29Å; F238-K859 HydrophobicContact CB-CD 3.37Å; F238-K859 HydrophobicContact CB-CG 4.44Å; F238-K859 HydrophobicContact CD1-CD 4.18Å; F238-K859 HydrophobicContact CD2-CD 4.46Å; F238-K859 HydrophobicContact CG-CD 3.8Å; T241-K859 PolarHBondContact OG1-NZ 2.98Å; K857-K859 PolarHBondContact O-N 3.38Å; K859-K863 WeakPolarHBondContact O-CB 3.42Å; K859-K863 PolarHBondContact O-N 3.05Å
860	K	71.3	Confident	71.3	Confident	86 Å²	86	31.4 Å²	31.4	37%	0.374	15%	0.152	S	C	.	.	H	α-helix	trans	-73.2	-43.4	177.4	-173.5	179.4	-179.3	178.9	0	110.5	Y237 D858 K863 A864 M886	Y237-K860 HydrophobicContact CD1-CB 4.3Å; Y237-K860 HydrophobicContact CE1-CB 4.37Å; Y237-K860 HydrophobicContact CE1-CD 4.28Å; Y237-K860 HydrophobicContact CE1-CG 4.21Å; D858-K860 VanDerWaalsContact C-N 3.28Å; D858-K860 PolarHBondContact O-N 3.21Å; D858-K860 WeakPolarHBondContact OD1-CA 3.48Å; D858-K860 VanDerWaalsContact OD1-CB 3.28Å; D858-K860 WeakPolarHBondContact OD1-CB 3.49Å; D858-K860 PolarHBondContact OD1-N 2.98Å; K860-K863 PolarHBondContact O-N 3.34Å; K860-A864 PolarHBondContact O-N 3.1Å; K860-A864 VanDerWaalsContact O-N 3.16Å; K860-M886 VanDerWaalsContact CE-CE 3.45Å
861	L	72.5	Confident	72.2	Confident	5 Å²	5	32.3 Å²	32.3	3%	0.026	15%	0.152	C	C	.	.	H	α-helix	trans	-67.9	-37.8	175.6	-70.4	168.8	0	0	0	111.9	K222 I855 D858 A864 L865 M886 F887	K222-L861 HydrophobicContact CD-CD1 4Å; I855-L861 HydrophobicContact CG2-CB 3.78Å; I855-L861 HydrophobicContact CG2-CD1 4.22Å; I855-L861 HydrophobicContact CG2-CG 4.5Å; D858-L861 HydrophobicContact CB-CB 4.05Å; D858-L861 HydrophobicContact CB-CD1 3.81Å; D858-L861 HydrophobicContact CB-CG 4.17Å; D858-L861 PolarHBondContact O-N 2.96Å; D858-L861 PolarHBondContact OD1-N 3.43Å; L861-A864 PolarHBondContact O-N 2.78Å; L861-L865 WeakPolarHBondContact O-CB 3.46Å; L861-L865 PolarHBondContact O-N 3.21Å; L861-M886 VanDerWaalsContact CD2-C 3.46Å; L861-M886 HydrophobicContact CD2-CB 3.98Å; L861-M886 WeakPolarHBondContact CD2-O 3.26Å; L861-F887 HydrophobicContact CB-CE1 4.13Å; L861-F887 HydrophobicContact CD2-CD1 3.49Å; L861-F887 VanDerWaalsContact CD2-CD1 3.49Å; L861-F887 HydrophobicContact CD2-CD2 4.36Å; L861-F887 HydrophobicContact CD2-CE1 3.59Å; L861-F887 HydrophobicContact CD2-CE2 4.44Å; L861-F887 HydrophobicContact CD2-CG 3.92Å; L861-F887 HydrophobicContact CD2-CZ 4.09Å; L861-F887 HydrophobicContact CG-CE1 4.48Å
862	M	73.6	Confident	73.1	Confident	8 Å²	8	31.7 Å²	31.7	4%	0.039	15%	0.149	C	C	.	.	H	α-helix	trans	-61.6	-45.5	172.7	-85.3	-57.2	96.9	0	0	113.8	I855 L856 D858 A864 L865 F866	I855-M862 HydrophobicContact CG2-CE 3.97Å; L856-M862 HydrophobicContact CB-CE 4.12Å; L856-M862 HydrophobicContact CB-CG 4.45Å; L856-M862 HydrophobicContact CB-SD 4.04Å; L856-M862 HydrophobicContact CD2-CE 3.45Å; L856-M862 VanDerWaalsContact CD2-CE 3.45Å; L856-M862 HydrophobicContact CD2-SD 3.44Å; L856-M862 WeakPolarHBondContact CD2-SD 3.37Å; L856-M862 HydrophobicContact CG-CE 3.79Å; L856-M862 HydrophobicContact CG-SD 4.09Å; L856-M862 VanDerWaalsContact O-CG 3.24Å; L856-M862 WeakPolarHBondContact O-CG 3.45Å; D858-M862 WeakPolarHBondContact O-CB 3.46Å; D858-M862 PolarHBondContact O-N 3.37Å; M862-A864 VanDerWaalsContact C-N 3.29Å; M862-A864 PolarHBondContact O-N 3.46Å; M862-L865 HydrophobicContact CE-CB 3.93Å; M862-L865 HydrophobicContact CE-CD2 3.34Å; M862-L865 HydrophobicContact CE-CG 4.24Å; M862-L865 PolarHBondContact O-N 3.09Å; M862-L865 HydrophobicContact SD-CD2 4.27Å; M862-F866 WeakPolarHBondContact O-CB 3.3Å; M862-F866 WeakPolarHBondContact O-CG 3.17Å; M862-F866 PolarHBondContact O-N 2.03Å; M862-F866 HydrophobicContact SD-CE1 3.96Å; M862-F866 HydrophobicContact SD-CZ 4.38Å
863	K	74.3	Confident	73.6	Confident	161 Å²	161	35.3 Å²	35.3	70%	0.7	17%	0.166	S	C	*	.	H	α-helix	trans	-59.6	-42.5	176.3	-172.5	174.6	-178.2	175.8	0	111.7	K859 K860 F866 D867	K859-K863 WeakPolarHBondContact O-CB 3.42Å; K859-K863 PolarHBondContact O-N 3.05Å; K860-K863 PolarHBondContact O-N 3.34Å; K863-F866 PolarHBondContact O-N 3.15Å; K863-D867 WeakPolarHBondContact O-CB 3.07Å; K863-D867 PolarHBondContact O-N 3.03Å
864	A	74.3	Confident	74.1	Confident	7 Å²	7	35.3 Å²	35.3	6%	0.058	17%	0.167	C	C	.	.	H	α-helix	trans	-67.5	-40.8	176.8	0	0	0	0	0	112.1	K860 L861 M862 D867 V868 Y878 F887	K860-A864 PolarHBondContact O-N 3.1Å; K860-A864 VanDerWaalsContact O-N 3.16Å; L861-A864 PolarHBondContact O-N 2.78Å; M862-A864 VanDerWaalsContact C-N 3.29Å; M862-A864 PolarHBondContact O-N 3.46Å; A864-D867 PolarHBondContact O-N 3.47Å; A864-V868 WeakPolarHBondContact O-CG2 3.44Å; A864-V868 PolarHBondContact O-N 2.75Å; A864-V868 VanDerWaalsContact O-N 3.07Å; A864-Y878 HydrophobicContact CB-CD1 4.5Å; A864-Y878 HydrophobicContact CB-CE1 4.04Å; A864-F887 HydrophobicContact CB-CE2 3.87Å; A864-F887 HydrophobicContact CB-CZ 3.55Å
865	L	76.7	Confident	74.4	Confident	7 Å²	7	35.2 Å²	35.2	4%	0.037	17%	0.166	C	C	.	.	H	α-helix	trans	-61.6	-45.3	174.7	179.7	57.7	0	0	0	111.2	L846 L861 M862 D867 V868 L869 F891	L846-L865 HydrophobicContact CD2-CD2 4.04Å; L861-L865 WeakPolarHBondContact O-CB 3.46Å; L861-L865 PolarHBondContact O-N 3.21Å; M862-L865 HydrophobicContact CE-CB 3.93Å; M862-L865 HydrophobicContact CE-CD2 3.34Å; M862-L865 HydrophobicContact CE-CG 4.24Å; M862-L865 PolarHBondContact O-N 3.09Å; M862-L865 HydrophobicContact SD-CD2 4.27Å; L865-D867 VanDerWaalsContact C-N 3.32Å; L865-D867 PolarHBondContact O-N 2.78Å; L865-V868 PolarHBondContact O-N 2.75Å; L865-L869 HydrophobicContact CD1-CD1 3.98Å; L865-L869 HydrophobicContact CD1-CG 4.05Å; L865-L869 HydrophobicContact CD2-CD1 4.27Å; L865-L869 HydrophobicContact CG-CD1 3.72Å; L865-L869 HydrophobicContact CG-CG 4.24Å; L865-L869 WeakPolarHBondContact O-CB 3.4Å; L865-L869 VanDerWaalsContact O-CG 3.27Å; L865-L869 WeakPolarHBondContact O-CG 3.47Å; L865-L869 PolarHBondContact O-N 2.98Å; L865-F891 HydrophobicContact CD1-CE1 4.16Å; L865-F891 HydrophobicContact CD1-CZ 3.69Å; L865-F891 HydrophobicContact CD2-CZ 4.15Å; L865-F891 HydrophobicContact CG-CZ 4.45Å
866	F	78.8	Confident	74.7	Confident	20 Å²	20	39.1 Å²	39.1	9%	0.088	18%	0.183	C	C	.	.	H	α-helix	trans	-66.8	-34	179.2	-75.7	8.2	0	0	0	112.7	V758 L825 V827 M862 K863 L869 A870	V758-F866 HydrophobicContact CB-CE1 4.15Å; V758-F866 HydrophobicContact CB-CZ 4.03Å; V758-F866 HydrophobicContact CG1-CE1 4.44Å; V758-F866 HydrophobicContact CG2-CE1 3.73Å; V758-F866 HydrophobicContact CG2-CZ 4Å; L825-F866 HydrophobicContact CB-CE2 3.59Å; L825-F866 HydrophobicContact CB-CZ 3.47Å; L825-F866 VanDerWaalsContact CB-CZ 3.47Å; L825-F866 HydrophobicContact CD1-CE2 4.16Å; L825-F866 HydrophobicContact CD1-CZ 3.88Å; L825-F866 HydrophobicContact CD2-CE2 3.91Å; L825-F866 HydrophobicContact CD2-CZ 4.44Å; L825-F866 HydrophobicContact CG-CE2 4.09Å; L825-F866 HydrophobicContact CG-CZ 4.13Å; V827-F866 HydrophobicContact CB-CD2 4.46Å; V827-F866 HydrophobicContact CB-CG 4.47Å; M862-F866 WeakPolarHBondContact O-CB 3.3Å; M862-F866 WeakPolarHBondContact O-CG 3.17Å; M862-F866 PolarHBondContact O-N 2.03Å; M862-F866 HydrophobicContact SD-CE1 3.96Å; M862-F866 HydrophobicContact SD-CZ 4.38Å; K863-F866 PolarHBondContact O-N 3.15Å; F866-L869 HydrophobicContact CD1-CD1 4.31Å; F866-L869 PolarHBondContact O-N 2.93Å; F866-A870 WeakPolarHBondContact O-CB 3.48Å; F866-A870 PolarHBondContact O-N 2.81Å
867	D	80	Confident	74.8	Confident	47 Å²	47	43.6 Å²	43.6	25%	0.251	21%	0.207	S	C	.	.	H	α-helix	trans	-63	-43.6	172.5	-175.8	41.7	0	0	0	111.3	K863 A864 L865 A870 H871 N874 Y878	K863-D867 WeakPolarHBondContact O-CB 3.07Å; K863-D867 PolarHBondContact O-N 3.03Å; A864-D867 PolarHBondContact O-N 3.47Å; L865-D867 VanDerWaalsContact C-N 3.32Å; L865-D867 PolarHBondContact O-N 2.78Å; D867-A870 PolarHBondContact O-N 2.81Å; D867-H871 PolarHBondContact O-N 2.84Å; D867-N874 PolarHBondContact OD1-ND2 2.98Å; D867-N874 PolarHBondContact OD2-ND2 3.48Å; D867-Y878 HydrophobicContact CB-CE2 4.48Å; D867-Y878 VanDerWaalsContact OD2-CE2 3.29Å; D867-Y878 WeakPolarHBondContact OD2-CE2 3.45Å; D867-Y878 PolarHBondContact OD2-OH 2.84Å
868	V	78	Confident	74.8	Confident	11 Å²	11	43.4 Å²	43.4	7%	0.067	21%	0.205	C	C	.	.	H	α-helix	trans	-66.2	-39.3	174.5	175.5	0	0	0	0	111.9	A864 L865 H871 P872 Y875 Y878 V895	A864-V868 WeakPolarHBondContact O-CG2 3.44Å; A864-V868 PolarHBondContact O-N 2.75Å; A864-V868 VanDerWaalsContact O-N 3.07Å; L865-V868 PolarHBondContact O-N 2.75Å; V868-H871 CarbonylContact O-C 3.47Å; V868-P872 WeakPolarHBondContact O-CA 3.3Å; V868-Y875 HydrophobicContact CG1-CD2 4.33Å; V868-Y878 HydrophobicContact CG2-CD2 3.66Å; V868-Y878 HydrophobicContact CG2-CE2 3.87Å; V868-V895 HydrophobicContact CG1-CG1 4.4Å
869	L	78.1	Confident	74.4	Confident	8 Å²	8	45.4 Å²	45.4	4%	0.042	22%	0.218	C	C	.	.	H	α-helix	trans	-72.1	-34.7	178.7	-68.3	170.3	0	0	0	112.3	L756 I837 I840 L865 F866	L756-L869 HydrophobicContact CD2-CB 4.23Å; L756-L869 HydrophobicContact CD2-CD1 3.8Å; L756-L869 HydrophobicContact CD2-CD2 4.5Å; L756-L869 HydrophobicContact CD2-CG 4.41Å; I837-L869 HydrophobicContact CD1-CB 4.39Å; I837-L869 HydrophobicContact CD1-CD2 3.8Å; I837-L869 WeakPolarHBondContact CD1-O 3.27Å; I840-L869 HydrophobicContact CD1-CD2 4.39Å; I840-L869 HydrophobicContact CG2-CD2 4.26Å; L865-L869 HydrophobicContact CD1-CD1 3.98Å; L865-L869 HydrophobicContact CD1-CG 4.05Å; L865-L869 HydrophobicContact CD2-CD1 4.27Å; L865-L869 HydrophobicContact CG-CD1 3.72Å; L865-L869 HydrophobicContact CG-CG 4.24Å; L865-L869 WeakPolarHBondContact O-CB 3.4Å; L865-L869 VanDerWaalsContact O-CG 3.27Å; L865-L869 WeakPolarHBondContact O-CG 3.47Å; L865-L869 PolarHBondContact O-N 2.98Å; F866-L869 HydrophobicContact CD1-CD1 4.31Å; F866-L869 PolarHBondContact O-N 2.93Å
870	A	79.7	Confident	73.8	Confident	11 Å²	11	46.5 Å²	46.5	9%	0.091	23%	0.229	C	C	.	.	H	α-helix	trans	-70.9	-38.2	174.5	0	0	0	0	0	111.8	V827 F866 D867	V827-A870 HydrophobicContact CG2-CB 3.79Å; F866-A870 WeakPolarHBondContact O-CB 3.48Å; F866-A870 PolarHBondContact O-N 2.81Å; D867-A870 PolarHBondContact O-N 2.81Å
871	H	81.1	Confident	72.9	Confident	78 Å²	78	50.5 Å²	50.5	36%	0.361	25%	0.249	S	C	.	.			trans	-139.5	90.9	-179.8	-57.2	95.6	0	0	0	110.5	R753 D867 V868 Q873 N874	R753-H871 PolarHBondContact NH2-NE2 2.04Å; D867-H871 PolarHBondContact O-N 2.84Å; V868-H871 CarbonylContact O-C 3.47Å; H871-Q873 PolarHBondContact O-N 2.74Å; H871-N874 WeakPolarHBondContact O-CB 3.41Å; H871-N874 PolarHBondContact O-N 2.86Å
872	P	79.6	Confident	71.7	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.013	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-56.1	-22.1	-176.3	-29.6	36.6	0	0	0	115.5	Y833 L836 V868 N874 Y875 F903	Y833-P872 HydrophobicContact CD1-CG 4.14Å; Y833-P872 HydrophobicContact CD2-CG 4.1Å; Y833-P872 HydrophobicContact CG-CG 3.89Å; L836-P872 HydrophobicContact CD2-CB 3.67Å; L836-P872 HydrophobicContact CD2-CG 3.79Å; V868-P872 WeakPolarHBondContact O-CA 3.3Å; P872-N874 VanDerWaalsContact C-N 3.28Å; P872-N874 PolarHBondContact O-N 2.88Å; P872-Y875 WeakPolarHBondContact O-CB 3.16Å; P872-Y875 PolarHBondContact O-N 2.86Å; P872-F903 HydrophobicContact CB-CE2 3.9Å; P872-F903 HydrophobicContact CB-CZ 4.03Å
873	Q	74.8	Confident	70.6	Confident	91 Å²	91	58.9 Å²	58.9	43%	0.425	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-64.4	-29.8	173.8	-61.6	-68.9	2.9	0	0	113.2	H871 Y875 F876 F903	H871-Q873 PolarHBondContact O-N 2.74Å; Q873-Y875 PolarHBondContact O-N 2.72Å; Q873-Y875 VanDerWaalsContact O-N 3.14Å; Q873-F876 WeakPolarHBondContact O-CD2 3.06Å; Q873-F876 PolarHBondContact O-N 3.5Å; Q873-F903 HydrophobicContact CG-CZ 4.18Å
874	N	78	Confident	69.6	Low	41 Å²	41	56.9 Å²	56.9	22%	0.219	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-66.4	-15.6	179.1	-70.9	-9.5	0	0	0	112.1	D867 H871 P872 F876 N877 Y878	D867-N874 PolarHBondContact OD1-ND2 2.98Å; D867-N874 PolarHBondContact OD2-ND2 3.48Å; H871-N874 WeakPolarHBondContact O-CB 3.41Å; H871-N874 PolarHBondContact O-N 2.86Å; P872-N874 VanDerWaalsContact C-N 3.28Å; P872-N874 PolarHBondContact O-N 2.88Å; N874-F876 PolarHBondContact O-N 3.47Å; N874-F876 VanDerWaalsContact O-N 3.16Å; N874-N877 WeakPolarHBondContact O-CB 3.12Å; N874-N877 PolarHBondContact O-N 3.32Å; N874-Y878 HydrophobicContact CB-CE2 4.26Å; N874-Y878 WeakPolarHBondContact O-CD2 3.19Å
875	Y	72.9	Confident	68.7	Low	14 Å²	14	63.8 Å²	63.8	6%	0.055	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-47.2	-43.4	171.7	177.7	-101.7	0	0	0	112.4	V868 P872 Q873 N877 Y878 T879 I892 V895 R896 V899	V868-Y875 HydrophobicContact CG1-CD2 4.33Å; P872-Y875 WeakPolarHBondContact O-CB 3.16Å; P872-Y875 PolarHBondContact O-N 2.86Å; Q873-Y875 PolarHBondContact O-N 2.72Å; Q873-Y875 VanDerWaalsContact O-N 3.14Å; Y875-N877 VanDerWaalsContact C-N 3.28Å; Y875-N877 PolarHBondContact O-N 2.04Å; Y875-Y878 PolarHBondContact O-N 2.8Å; Y875-Y878 VanDerWaalsContact O-N 3.12Å; Y875-T879 HydrophobicContact CD1-CG2 4.12Å; Y875-T879 HydrophobicContact CE1-CG2 3.55Å; Y875-T879 HydrophobicContact CE2-CG2 4.32Å; Y875-T879 WeakPolarHBondContact O-CG2 3.33Å; Y875-T879 PolarHBondContact O-N 3.31Å; Y875-I892 WeakPolarHBondContact OH-CG2 3.47Å; Y875-V895 HydrophobicContact CD2-CG1 3.72Å; Y875-V895 HydrophobicContact CE2-CB 4.14Å; Y875-V895 HydrophobicContact CE2-CG1 3.75Å; Y875-R896 HydrophobicContact CE1-CB 4.45Å; Y875-R896 HydrophobicContact CE1-CG 4.26Å; Y875-R896 WeakPolarHBondContact OH-CA 3.42Å; Y875-R896 WeakPolarHBondContact OH-CB 3.26Å; Y875-R896 WeakPolarHBondContact OH-CG 3.09Å; Y875-V899 HydrophobicContact CD1-CB 4.45Å; Y875-V899 HydrophobicContact CD1-CG1 4.02Å; Y875-V899 HydrophobicContact CG-CG1 4.2Å; Y875-V899 HydrophobicContact CG-CG2 4.38Å
876	F	72.7	Confident	67.9	Low	86 Å²	86	66.6 Å²	66.6	38%	0.377	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-65.9	-29.5	-178	-64.2	-71.6	0	0	0	113.3	Q873 N874 Y878 T879 M900	Q873-F876 WeakPolarHBondContact O-CD2 3.06Å; Q873-F876 PolarHBondContact O-N 3.5Å; N874-F876 PolarHBondContact O-N 3.47Å; N874-F876 VanDerWaalsContact O-N 3.16Å; F876-Y878 VanDerWaalsContact C-N 3.25Å; F876-Y878 PolarHBondContact O-N 3.25Å; F876-T879 PolarHBondContact O-N 2.84Å; F876-T879 PolarHBondContact O-OG1 3.3Å; F876-M900 HydrophobicContact CE1-SD 4.01Å; F876-M900 HydrophobicContact CZ-SD 4.11Å
877	N	69.7	Low	67.1	Low	102 Å²	102	66.3 Å²	66.3	55%	0.545	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-65	-33	176.4	-61.2	-25.1	0	0	0	111.3	N874 Y875 T880	N874-N877 WeakPolarHBondContact O-CB 3.12Å; N874-N877 PolarHBondContact O-N 3.32Å; Y875-N877 VanDerWaalsContact C-N 3.28Å; Y875-N877 PolarHBondContact O-N 2.04Å; N877-T880 PolarHBondContact O-OG1 2.79Å
878	Y	65.1	Low	66.4	Low	61 Å²	61	64.4 Å²	64.4	24%	0.239	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-88.7	5.2	179.6	-59.5	-74.9	0	0	0	114.5	A864 D867 V868 N874 Y875 F876 S883	A864-Y878 HydrophobicContact CB-CD1 4.5Å; A864-Y878 HydrophobicContact CB-CE1 4.04Å; D867-Y878 HydrophobicContact CB-CE2 4.48Å; D867-Y878 VanDerWaalsContact OD2-CE2 3.29Å; D867-Y878 WeakPolarHBondContact OD2-CE2 3.45Å; D867-Y878 PolarHBondContact OD2-OH 2.84Å; V868-Y878 HydrophobicContact CG2-CD2 3.66Å; V868-Y878 HydrophobicContact CG2-CE2 3.87Å; N874-Y878 HydrophobicContact CB-CE2 4.26Å; N874-Y878 WeakPolarHBondContact O-CD2 3.19Å; Y875-Y878 PolarHBondContact O-N 2.8Å; Y875-Y878 VanDerWaalsContact O-N 3.12Å; F876-Y878 VanDerWaalsContact C-N 3.25Å; F876-Y878 PolarHBondContact O-N 3.25Å; Y878-S883 WeakPolarHBondContact CA-OG 3.06Å; Y878-S883 WeakPolarHBondContact O-CB 3.45Å; Y878-S883 PolarHBondContact O-OG 2.9Å
879	T	60.4	Low	65.9	Low	54 Å²	54	69.3 Å²	69.3	33%	0.331	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-98.3	-2	175.5	60.5	0	0	0	0	113.9	Y875 F876	Y875-T879 HydrophobicContact CD1-CG2 4.12Å; Y875-T879 HydrophobicContact CE1-CG2 3.55Å; Y875-T879 HydrophobicContact CE2-CG2 4.32Å; Y875-T879 WeakPolarHBondContact O-CG2 3.33Å; Y875-T879 PolarHBondContact O-N 3.31Å; F876-T879 PolarHBondContact O-N 2.84Å; F876-T879 PolarHBondContact O-OG1 3.3Å
880	T	57.8	Low	65.3	Low	76 Å²	76	71 Å²	71	47%	0.466	35%	0.347	S	S	.	.	S	Bend	trans	-69	157.2	176.7	52.5	0	0	0	0	111.4	N877 E882 S883 K884	N877-T880 PolarHBondContact O-OG1 2.79Å; T880-E882 PolarHBondContact O-N 3.42Å; T880-E882 VanDerWaalsContact O-N 3.11Å; T880-S883 PolarHBondContact N-OG 2.9Å; T880-S883 PolarHBondContact O-N 3.24Å; T880-S883 PolarHBondContact O-OG 2.84Å; T880-S883 PolarHBondContact OG1-OG 3.16Å; T880-K884 PolarHBondContact O-N 3.13Å
881	Q	51.8	Low	64.8	Low	170 Å²	170	70.8 Å²	70.8	79%	0.794	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.3	-167.5	-154.7	157.2	-12	0	0	113.9
882	E	47.8	Very low	64.2	Low	179 Å²	179	68.8 Å²	68.8	84%	0.836	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-16	175.5	-66.3	178.2	149.9	0	0	114.1	T880	T880-E882 PolarHBondContact O-N 3.42Å; T880-E882 VanDerWaalsContact O-N 3.11Å
883	S	51.5	Low	63.8	Low	11 Å²	11	77.6 Å²	77.6	8%	0.077	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-9.7	-178.1	46.3	0	0	0	0	114	Y878 T880 E885 M886	Y878-S883 WeakPolarHBondContact CA-OG 3.06Å; Y878-S883 WeakPolarHBondContact O-CB 3.45Å; Y878-S883 PolarHBondContact O-OG 2.9Å; T880-S883 PolarHBondContact N-OG 2.9Å; T880-S883 PolarHBondContact O-N 3.24Å; T880-S883 PolarHBondContact O-OG 2.84Å; T880-S883 PolarHBondContact OG1-OG 3.16Å; S883-E885 PolarHBondContact O-N 2.8Å; S883-E885 VanDerWaalsContact O-N 3.15Å; S883-M886 PolarHBondContact O-N 2.89Å; S883-M886 VanDerWaalsContact O-N 3.12Å
884	K	52.3	Low	63.7	Low	119 Å²	119	74.2 Å²	74.2	52%	0.517	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-17.6	173.4	-78.8	-178.4	179.9	174.2	0	114.4	T880	T880-K884 PolarHBondContact O-N 3.13Å
885	E	56.4	Low	63.4	Low	151 Å²	151	72.8 Å²	72.8	71%	0.706	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-11.4	178	-65.8	-175.1	168.2	0	0	113.3	S883	S883-E885 PolarHBondContact O-N 2.8Å; S883-E885 VanDerWaalsContact O-N 3.15Å
886	M	58.3	Low	63.6	Low	67 Å²	67	79.1 Å²	79.1	33%	0.33	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-51.3	-175.6	-69.1	-163.5	-174.8	0	0	112.8	K860 L861 S883	K860-M886 VanDerWaalsContact CE-CE 3.45Å; L861-M886 VanDerWaalsContact CD2-C 3.46Å; L861-M886 HydrophobicContact CD2-CB 3.98Å; L861-M886 WeakPolarHBondContact CD2-O 3.26Å; S883-M886 PolarHBondContact O-N 2.89Å; S883-M886 VanDerWaalsContact O-N 3.12Å
887	F	63.2	Low	63.7	Low	13 Å²	13	78.8 Å²	78.8	6%	0.057	38%	0.378	C	S	.	.	S	Bend	trans	-99.6	143.8	-176.2	-68.5	-76.9	0	0	0	112.3	I855 L861 A864 F891 I892	I855-F887 HydrophobicContact CG2-CD1 4.48Å; I855-F887 HydrophobicContact CG2-CE1 4.42Å; L861-F887 HydrophobicContact CB-CE1 4.13Å; L861-F887 HydrophobicContact CD2-CD1 3.49Å; L861-F887 VanDerWaalsContact CD2-CD1 3.49Å; L861-F887 HydrophobicContact CD2-CD2 4.36Å; L861-F887 HydrophobicContact CD2-CE1 3.59Å; L861-F887 HydrophobicContact CD2-CE2 4.44Å; L861-F887 HydrophobicContact CD2-CG 3.92Å; L861-F887 HydrophobicContact CD2-CZ 4.09Å; L861-F887 HydrophobicContact CG-CE1 4.48Å; A864-F887 HydrophobicContact CB-CE2 3.87Å; A864-F887 HydrophobicContact CB-CZ 3.55Å; F887-F891 HydrophobicContact CB-CD1 4.02Å; F887-F891 AromaticContact CD1-CD1 3.43Å; F887-F891 HydrophobicContact CD1-CD1 3.43Å; F887-F891 VanDerWaalsContact CD1-CD1 3.43Å; F887-F891 AromaticContact CD1-CE1 3.54Å; F887-F891 HydrophobicContact CD1-CE1 3.54Å; F887-F891 HydrophobicContact CD1-CG 4.46Å; F887-F891 HydrophobicContact CE1-CD1 4.09Å; F887-F891 AromaticContact CE1-CE1 3.69Å; F887-F891 HydrophobicContact CE1-CE1 3.69Å; F887-F891 AromaticContact CG-CD1 3.9Å; F887-F891 HydrophobicContact CG-CD1 3.9Å; F887-F891 HydrophobicContact CG-CE1 4.27Å; F887-I892 HydrophobicContact CB-CD1 3.88Å; F887-I892 HydrophobicContact CB-CG1 3.51Å; F887-I892 HydrophobicContact CG-CG1 4.47Å
888	P	64.9	Low	64	Low	7 Å²	7	75 Å²	75	5%	0.045	36%	0.356	C	S	.	.			trans	-54.4	142.6	169.9	-27	36.6	0	0	0	111.8	I855 S890 F891 I892	I855-P888 HydrophobicContact CD1-CG 3.87Å; I855-P888 HydrophobicContact CG1-CG 4.31Å; P888-S890 VanDerWaalsContact C-N 3.25Å; P888-S890 PolarHBondContact O-N 3.22Å; P888-F891 HydrophobicContact CB-CB 4.3Å; P888-F891 WeakPolarHBondContact O-CB 3.02Å; P888-F891 PolarHBondContact O-N 3.27Å; P888-I892 PolarHBondContact O-N 3.37Å
889	K	68.6	Low	64.6	Low	114 Å²	114	72.1 Å²	72.1	50%	0.496	35%	0.345	S	S	.	.	H	α-helix	trans	-59.5	-37.8	-176.8	-72.5	174.2	-178.2	143.8	0	112.3	S225 I892 R893	S225-K889 WeakPolarHBondContact O-CD 3.21Å; S225-K889 VanDerWaalsContact O-CE 3.23Å; S225-K889 WeakPolarHBondContact O-CE 3.47Å; S225-K889 PolarHBondContact O-NZ 3.12Å; K889-I892 PolarHBondContact O-N 3.42Å; K889-R893 WeakPolarHBondContact O-CB 3.47Å; K889-R893 PolarHBondContact O-N 2.92Å
890	S	64.9	Low	65.4	Low	45 Å²	45	73.1 Å²	73.1	32%	0.315	35%	0.347	S	S	.	.	H	α-helix	trans	-55.5	-45.9	171.7	52.9	0	0	0	0	112.6	H852 P888 R893 F894	H852-S890 PolarHBondContact NE2-OG 3.07Å; P888-S890 VanDerWaalsContact C-N 3.25Å; P888-S890 PolarHBondContact O-N 3.22Å; S890-R893 PolarHBondContact O-N 3.36Å; S890-F894 PolarHBondContact O-N 2.67Å; S890-F894 VanDerWaalsContact O-N 3.11Å
891	F	68.4	Low	66.4	Low	6 Å²	6	78.5 Å²	78.5	3%	0.026	36%	0.359	C	S	.	.	H	α-helix	trans	-65.8	-47.5	178.1	-172.3	-100.8	0	0	0	112.4	L846 H852 I855 L865 F887 P888 R893 F894 V895	L846-F891 HydrophobicContact CD2-CE2 3.62Å; L846-F891 HydrophobicContact CD2-CZ 4.01Å; L846-F891 HydrophobicContact CG-CE2 4.4Å; H852-F891 AromaticContact CD2-CD2 3.97Å; I855-F891 HydrophobicContact CD1-CB 4.02Å; I855-F891 HydrophobicContact CD1-CD1 4.45Å; I855-F891 HydrophobicContact CD1-CD2 3.75Å; I855-F891 HydrophobicContact CD1-CE2 4.32Å; I855-F891 HydrophobicContact CD1-CG 3.82Å; L865-F891 HydrophobicContact CD1-CE1 4.16Å; L865-F891 HydrophobicContact CD1-CZ 3.69Å; L865-F891 HydrophobicContact CD2-CZ 4.15Å; L865-F891 HydrophobicContact CG-CZ 4.45Å; F887-F891 HydrophobicContact CB-CD1 4.02Å; F887-F891 AromaticContact CD1-CD1 3.43Å; F887-F891 HydrophobicContact CD1-CD1 3.43Å; F887-F891 VanDerWaalsContact CD1-CD1 3.43Å; F887-F891 AromaticContact CD1-CE1 3.54Å; F887-F891 HydrophobicContact CD1-CE1 3.54Å; F887-F891 HydrophobicContact CD1-CG 4.46Å; F887-F891 HydrophobicContact CE1-CD1 4.09Å; F887-F891 AromaticContact CE1-CE1 3.69Å; F887-F891 HydrophobicContact CE1-CE1 3.69Å; F887-F891 AromaticContact CG-CD1 3.9Å; F887-F891 HydrophobicContact CG-CD1 3.9Å; F887-F891 HydrophobicContact CG-CE1 4.27Å; P888-F891 HydrophobicContact CB-CB 4.3Å; P888-F891 WeakPolarHBondContact O-CB 3.02Å; P888-F891 PolarHBondContact O-N 3.27Å; F891-R893 VanDerWaalsContact C-N 3.29Å; F891-R893 PolarHBondContact O-N 2.04Å; F891-F894 WeakPolarHBondContact O-CB 3.26Å; F891-F894 PolarHBondContact O-N 3.4Å; F891-V895 HydrophobicContact CD1-CG2 4.33Å; F891-V895 HydrophobicContact CE1-CG2 3.92Å; F891-V895 HydrophobicContact CZ-CG2 4.03Å; F891-V895 PolarHBondContact O-N 2.04Å
892	I	69.4	Low	67.6	Low	35 Å²	35	73.8 Å²	73.8	18%	0.179	34%	0.336	C	S	.	.	H	α-helix	trans	-59.9	-42.8	177.4	-60.3	180	0	0	0	110.2	Y875 F887 P888 K889 F894 V895 R896	Y875-I892 WeakPolarHBondContact OH-CG2 3.47Å; F887-I892 HydrophobicContact CB-CD1 3.88Å; F887-I892 HydrophobicContact CB-CG1 3.51Å; F887-I892 HydrophobicContact CG-CG1 4.47Å; P888-I892 PolarHBondContact O-N 3.37Å; K889-I892 PolarHBondContact O-N 3.42Å; I892-F894 VanDerWaalsContact C-N 3.32Å; I892-F894 PolarHBondContact O-N 2.9Å; I892-V895 PolarHBondContact O-N 2.97Å; I892-R896 WeakPolarHBondContact O-CB 3.44Å; I892-R896 PolarHBondContact O-N 3.35Å
893	R	71.1	Confident	69	Low	188 Å²	188	68.3 Å²	68.3	71%	0.709	31%	0.309	S	S	*	.	H	α-helix	trans	-61.6	-40.3	179.1	-170.6	-176.4	-67.6	164.7	0.1	111.7	K889 S890 F891 S897	K889-R893 WeakPolarHBondContact O-CB 3.47Å; K889-R893 PolarHBondContact O-N 2.92Å; S890-R893 PolarHBondContact O-N 3.36Å; F891-R893 VanDerWaalsContact C-N 3.29Å; F891-R893 PolarHBondContact O-N 2.04Å; R893-S897 PolarHBondContact O-N 3.25Å
894	F	71.5	Confident	69.9	Low	20 Å²	20	76.9 Å²	76.9	9%	0.088	34%	0.34	C	S	.	.	H	α-helix	trans	-61.7	-57.1	175.6	172.7	-105.9	0	0	0	111.7	D843 R845 L846 S890 F891 I892 R896 S897 K898	D843-F894 HydrophobicContact CB-CE2 3.96Å; D843-F894 HydrophobicContact CB-CZ 3.98Å; D843-F894 WeakPolarHBondContact OD2-CE2 3.37Å; R845-F894 HydrophobicContact CB-CD2 3.89Å; R845-F894 HydrophobicContact CB-CE2 3.6Å; R845-F894 HydrophobicContact CB-CZ 4.02Å; R845-F894 HydrophobicContact CG-CE2 4.25Å; L846-F894 HydrophobicContact CD1-CE1 4.22Å; L846-F894 HydrophobicContact CG-CE1 3.97Å; S890-F894 PolarHBondContact O-N 2.67Å; S890-F894 VanDerWaalsContact O-N 3.11Å; F891-F894 WeakPolarHBondContact O-CB 3.26Å; F891-F894 PolarHBondContact O-N 3.4Å; I892-F894 VanDerWaalsContact C-N 3.32Å; I892-F894 PolarHBondContact O-N 2.9Å; F894-R896 VanDerWaalsContact C-N 3.31Å; F894-R896 PolarHBondContact O-N 3.49Å; F894-S897 PolarHBondContact O-N 3.09Å; F894-K898 HydrophobicContact CE2-CG 4.46Å; F894-K898 HydrophobicContact CZ-CG 4.5Å; F894-K898 PolarHBondContact O-N 2.97Å
895	V	72.9	Confident	69.5	Low	10 Å²	10	80.8 Å²	80.8	6%	0.061	38%	0.377	C	S	.	.	H	α-helix	trans	-62.6	-39.5	-178.6	-180	0	0	0	0	111	V868 Y875 F891 I892 S897 K898 V899	V868-V895 HydrophobicContact CG1-CG1 4.4Å; Y875-V895 HydrophobicContact CD2-CG1 3.72Å; Y875-V895 HydrophobicContact CE2-CB 4.14Å; Y875-V895 HydrophobicContact CE2-CG1 3.75Å; F891-V895 HydrophobicContact CD1-CG2 4.33Å; F891-V895 HydrophobicContact CE1-CG2 3.92Å; F891-V895 HydrophobicContact CZ-CG2 4.03Å; F891-V895 PolarHBondContact O-N 2.04Å; I892-V895 PolarHBondContact O-N 2.97Å; V895-S897 PolarHBondContact O-N 2.79Å; V895-K898 PolarHBondContact O-N 2.81Å; V895-V899 HydrophobicContact CG1-CG2 3.82Å; V895-V899 WeakPolarHBondContact O-CB 3.34Å; V895-V899 WeakPolarHBondContact O-CG2 3.47Å; V895-V899 PolarHBondContact O-N 3.45Å
896	R	75.9	Confident	70.2	Confident	147 Å²	147	77.3 Å²	77.3	56%	0.555	36%	0.361	S	S	*	.	H	α-helix	trans	-55.9	-48.6	176.8	-166.1	171.5	174.5	178.4	-2.1	112.3	Y875 I892 F894 K898 M900	Y875-R896 HydrophobicContact CE1-CB 4.45Å; Y875-R896 HydrophobicContact CE1-CG 4.26Å; Y875-R896 WeakPolarHBondContact OH-CA 3.42Å; Y875-R896 WeakPolarHBondContact OH-CB 3.26Å; Y875-R896 WeakPolarHBondContact OH-CG 3.09Å; I892-R896 WeakPolarHBondContact O-CB 3.44Å; I892-R896 PolarHBondContact O-N 3.35Å; F894-R896 VanDerWaalsContact C-N 3.31Å; F894-R896 PolarHBondContact O-N 3.49Å; R896-K898 PolarHBondContact O-N 2.91Å; R896-M900 HydrophobicContact CG-CG 3.9Å; R896-M900 WeakPolarHBondContact O-CB 3.47Å; R896-M900 WeakPolarHBondContact O-CG 3.39Å; R896-M900 PolarHBondContact O-N 3.22Å
897	S	75.1	Confident	70.8	Confident	80 Å²	80	77.8 Å²	77.8	56%	0.559	36%	0.362	S	S	*	.	H	α-helix	trans	-58.1	-42	-177.7	-178.4	0	0	0	0	111.1	R893 F894 V895 R901	R893-S897 PolarHBondContact O-N 3.25Å; F894-S897 PolarHBondContact O-N 3.09Å; V895-S897 PolarHBondContact O-N 2.79Å; S897-R901 VanDerWaalsContact O-CB 3.28Å; S897-R901 WeakPolarHBondContact O-CB 3.46Å; S897-R901 PolarHBondContact O-N 3.06Å
898	K	76.9	Confident	71.3	Confident	22 Å²	22	81.4 Å²	81.4	10%	0.096	38%	0.379	C	S	.	.	H	α-helix	trans	-72.2	-51.7	-179	-60.2	-65.1	-170.5	171.9	0	112.5	L836 D839 I840 D843 F894 V895 R896 M900 R901 F902	L836-K898 HydrophobicContact CD1-CB 4.15Å; D839-K898 IonicContact OD1-NZ 2.81Å; D839-K898 WeakPolarHBondContact OD2-CD 3.38Å; D839-K898 WeakPolarHBondContact OD2-CE 3.5Å; D839-K898 IonicContact OD2-NZ 2.83Å; D839-K898 PolarHBondContact OD2-NZ 3.32Å; I840-K898 HydrophobicContact CG1-CB 4.01Å; I840-K898 HydrophobicContact CG1-CG 4.23Å; D843-K898 WeakPolarHBondContact OD2-CE 3.26Å; D843-K898 IonicContact OD2-NZ 3.96Å; D843-K898 PolarHBondContact OD2-NZ 3.15Å; F894-K898 HydrophobicContact CE2-CG 4.46Å; F894-K898 HydrophobicContact CZ-CG 4.5Å; F894-K898 PolarHBondContact O-N 2.97Å; V895-K898 PolarHBondContact O-N 2.81Å; R896-K898 PolarHBondContact O-N 2.91Å; K898-M900 PolarHBondContact O-N 2.95Å; K898-R901 PolarHBondContact O-N 2.93Å; K898-F902 PolarHBondContact O-N 3.22Å; K898-F902 VanDerWaalsContact O-N 3.14Å
899	V	78	Confident	71.6	Confident	1 Å²	1	85.8 Å²	85.8	1%	0.006	40%	0.399	C	S	.	.	H	α-helix	trans	-62	-44.3	-179.7	174.3	0	0	0	0	111.1	Y875 V895 R901 F902 F903	Y875-V899 HydrophobicContact CD1-CB 4.45Å; Y875-V899 HydrophobicContact CD1-CG1 4.02Å; Y875-V899 HydrophobicContact CG-CG1 4.2Å; Y875-V899 HydrophobicContact CG-CG2 4.38Å; V895-V899 HydrophobicContact CG1-CG2 3.82Å; V895-V899 WeakPolarHBondContact O-CB 3.34Å; V895-V899 WeakPolarHBondContact O-CG2 3.47Å; V895-V899 PolarHBondContact O-N 3.45Å; V899-R901 VanDerWaalsContact C-N 3.32Å; V899-R901 PolarHBondContact O-N 3.39Å; V899-F902 PolarHBondContact O-N 3.16Å; V899-F903 HydrophobicContact CG1-CD2 3.67Å; V899-F903 HydrophobicContact CG1-CE2 3.84Å; V899-F903 WeakPolarHBondContact O-CD2 3.38Å; V899-F903 PolarHBondContact O-N 3.25Å; V899-F903 VanDerWaalsContact O-N 3.07Å
900	M	77.6	Confident	71.8	Confident	74 Å²	74	84 Å²	84	37%	0.365	39%	0.393	S	S	.	.	H	α-helix	trans	-68.9	-28.7	178.8	-66.5	-67.9	-68.4	0	0	113	F876 R896 K898 R904	F876-M900 HydrophobicContact CE1-SD 4.01Å; F876-M900 HydrophobicContact CZ-SD 4.11Å; R896-M900 HydrophobicContact CG-CG 3.9Å; R896-M900 WeakPolarHBondContact O-CB 3.47Å; R896-M900 WeakPolarHBondContact O-CG 3.39Å; R896-M900 PolarHBondContact O-N 3.22Å; K898-M900 PolarHBondContact O-N 2.95Å; M900-R904 WeakPolarHBondContact O-CB 3.42Å; M900-R904 WeakPolarHBondContact O-CG 3.41Å; M900-R904 PolarHBondContact O-N 3.36Å
901	R	78.1	Confident	72.3	Confident	190 Å²	190	86.6 Å²	86.6	72%	0.717	40%	0.398	S	S	*	.	H	α-helix	trans	-70.6	-37	174.9	-172.6	178.7	-172.7	174.5	3.1	111.6	S897 K898 V899	S897-R901 VanDerWaalsContact O-CB 3.28Å; S897-R901 WeakPolarHBondContact O-CB 3.46Å; S897-R901 PolarHBondContact O-N 3.06Å; K898-R901 PolarHBondContact O-N 2.93Å; V899-R901 VanDerWaalsContact C-N 3.32Å; V899-R901 PolarHBondContact O-N 3.39Å
902	F	77.2	Confident	72.6	Confident	70 Å²	70	92.4 Å²	92.4	31%	0.307	43%	0.425	S	S	.	.	H	α-helix	trans	-76.3	-38.6	-179.5	-175.2	-95.3	0	0	0	113.3	Y833 E835 L836 K898 V899 R904	Y833-F902 AromaticContact CD1-CE1 3.84Å; Y833-F902 HydrophobicContact CD1-CE1 3.84Å; Y833-F902 HydrophobicContact CD1-CZ 4.26Å; Y833-F902 HydrophobicContact CE1-CE1 4.28Å; E835-F902 HydrophobicContact CB-CE2 4.36Å; L836-F902 HydrophobicContact CB-CB 4.4Å; L836-F902 HydrophobicContact CB-CD1 4.31Å; L836-F902 HydrophobicContact CB-CD2 3.76Å; L836-F902 HydrophobicContact CB-CE2 4.05Å; L836-F902 HydrophobicContact CB-CG 3.9Å; L836-F902 HydrophobicContact CB-CZ 4.44Å; L836-F902 HydrophobicContact CD1-CB 3.93Å; L836-F902 HydrophobicContact CD1-CG 4.35Å; L836-F902 HydrophobicContact CD2-CB 4.27Å; L836-F902 HydrophobicContact CD2-CD1 4.01Å; L836-F902 HydrophobicContact CD2-CG 4.12Å; L836-F902 HydrophobicContact CG-CB 4.42Å; L836-F902 HydrophobicContact CG-CG 4.34Å; K898-F902 PolarHBondContact O-N 3.22Å; K898-F902 VanDerWaalsContact O-N 3.14Å; V899-F902 PolarHBondContact O-N 3.16Å; F902-R904 VanDerWaalsContact C-N 3.34Å
903	F	76.9	Confident	72.8	Confident	65 Å²	65	96.8 Å²	96.8	29%	0.285	44%	0.444	S	S	.	.	S	Bend	trans	-87.6	2.7	177.4	-68.9	-62.2	0	0	0	114.3	Y833 P872 Q873 V899	Y833-F903 HydrophobicContact CE1-CE1 4.31Å; Y833-F903 HydrophobicContact CE1-CZ 4.14Å; P872-F903 HydrophobicContact CB-CE2 3.9Å; P872-F903 HydrophobicContact CB-CZ 4.03Å; Q873-F903 HydrophobicContact CG-CZ 4.18Å; V899-F903 HydrophobicContact CG1-CD2 3.67Å; V899-F903 HydrophobicContact CG1-CE2 3.84Å; V899-F903 WeakPolarHBondContact O-CD2 3.38Å; V899-F903 PolarHBondContact O-N 3.25Å; V899-F903 VanDerWaalsContact O-N 3.07Å
904	R	70	Confident	72.9	Confident	191 Å²	191	89.2 Å²	89.2	72%	0.721	42%	0.421	S	S	*	.			trans	-77.2	128.9	169.2	-104.2	-178.8	175.1	172	-1.6	108.8	M900 F902	M900-R904 WeakPolarHBondContact O-CB 3.42Å; M900-R904 WeakPolarHBondContact O-CG 3.41Å; M900-R904 PolarHBondContact O-N 3.36Å; F902-R904 VanDerWaalsContact C-N 3.34Å
905	P	45.3	Very low	73.1	Confident	200 Å²	200	95.5 Å²	95.5	100%	1.299	45%	0.452	S	S	*	.			trans	-66.3	0	-179.8	27.7	-34	0	0	0	113.2

Retrieved 905 of 905 residues in 941.4 ms (Link to these results)

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