A0A087XAW0_POEFO Loading...

MAGI family member, X-linked b

AlphaFold DB , UniProt , Accession A0A087XAW0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,111 aa.

						>A0A087XAW0_POEFO|A0A087XAW0
MSKTAVKKLHWRSNVQDTFVPLLGASGELGVAVGGGADYGEFPFVTSAPGGGLTVGDIILEIGGTPVLGMTLGDVRGVLNSCPHPIRIKTVSPGSTLCKDLRLYLSKCFTPGSVDSQLQQVIRENLYLRAVPCGTTRQPRDGEISGVDYNFVSIEEFFSLEESGALLESGKFKGNYYGTPRPVHIGPESPPITYQEHRNLLRNFRTRSKSLSNLEKAADEGRNGEDDLGGSAGVSIPIGHRSPGRPRASSSGVEGHGIENGIIGSRRGARIRGMMPDHWEQAFSDPGESLYIGRSPRRTSWLGPRPSSRETNYKNEWFTDLPEDLRGFPVHAHLIKGSRGFGFNIVGGSRPREFLQVYSVTASGPSTLKTADILVYINDACVLGMSHKEAVEMLKSVPVGHSIDIEVRRGYPMLYNPDGRPKQPSPRLLDAEDHHVAPTTTQPQPLHQLPRLSTPSPQSQLFNGYHSDRGYVEHGVTLDANGNATSYASRLPPPYRRSSVSNAAPFSPVRPPRSHRSVARLQSLDPTLASQSDSEVVSAVGSHRASMIRNHNNNSLTTPQHHLRYGTSKSSESDLSTCTMPGTRLPLPESPRRPSSSSGGPRSAHTHLFRPQTSLLRPPPTRESPHHHGVNGFHGNTSPTASPSSVSSPGAMSVGSGFGGFTGGELVPVALAQTEGDRGLGFSLMAGGSGGRLTVVERVFDRKQCNSLQPGDAVVKINGADVQSLSLTQIQTILQEHTKQGEVILLVYRGGTYHSSVSPGSVRRLPPPLLRPPPPPVDADNSSLLPEALPVPRSATSNPPSPLLSSSSLIQSTSFLESIPVTLTMEPKDWIDIGLEDEAGGGGGGVSVPEASLEKRKGERTRRFRGFDVELRRKPGEGFGFVIASQDLENGRAASLLPHRFVTVRRGSPAAKSGQIRPGDRLEAVEGRSVVTLPHRELAQILRRAGNTLRLTIVPRPSTYASNHTETADHDHGHRSRKGQRSRPKRDSRYYSVDLDRGPSGFGFSLRGGSEYNMGLYVLGLMEGGPASRSQKIQVSDQLVEINGDSTTGMTHSQAVEMIRRGGHRIHLVLKRGNGYVPDYVELSSLSLCMTNSKLGEPCFYVIGRTENTRL
					

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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	32.3	Very low	47	Very low	246 Å²	246	122.9 Å²	122.9	100%	1.212	65%	0.65	S	S	*	*				0	124.8	0	-62.1	179.5	80.4	0	0	108.2
2	S	31.4	Very low	50.1	Low	99 Å²	99	123.1 Å²	123.1	69%	0.692	64%	0.635	S	S	*	*			trans	-77.8	134.8	176.4	39.3	0	0	0	0	110.7
3	K	36.4	Very low	52.4	Low	103 Å²	103	119 Å²	119	45%	0.448	62%	0.624	S	S	.	*			trans	-87.3	117.1	169.1	-57.5	172.9	172	174.1	0	108	A5 V537 A539	K3-A5 PolarHBondContact O-N 3.35Å; K3-V537 HydrophobicContact CB-CG1 3.64Å; K3-V537 HydrophobicContact CB-CG2 4.47Å; K3-V537 HydrophobicContact CD-CG1 3.96Å; K3-V537 HydrophobicContact CG-CG1 3.93Å; K3-V537 WeakPolarHBondContact O-CG2 3.36Å; K3-A539 PolarHBondContact NZ-O 3.42Å
4	T	30.7	Very low	54.7	Low	136 Å²	136	116.6 Å²	116.6	83%	0.834	61%	0.612	S	S	*	*			trans	-59.9	115.4	178.7	-38.4	0	0	0	0	110.3	V6	T4-V6 PolarHBondContact O-N 2.89Å
5	A	34.5	Very low	57.1	Low	70 Å²	70	112 Å²	112	58%	0.579	59%	0.59	S	S	*	*			trans	-72.3	110	178.7	0	0	0	0	0	109.4	K3 K7	K3-A5 PolarHBondContact O-N 3.35Å; A5-K7 PolarHBondContact O-N 3.35Å
6	V	38	Very low	59	Low	134 Å²	134	109.7 Å²	109.7	81%	0.812	58%	0.575	S	S	*	*			trans	-68	96.6	176.4	-178.2	0	0	0	0	108.8	T4 K8	T4-V6 PolarHBondContact O-N 2.89Å; V6-K8 PolarHBondContact O-N 3.13Å; V6-K8 VanDerWaalsContact O-N 3.17Å
7	K	41.6	Very low	60.9	Low	165 Å²	165	107.1 Å²	107.1	72%	0.717	56%	0.562	S	S	*	*			trans	-54.2	120.2	167.1	-72.2	178.4	177.1	173.9	0	107.2	A5 L9	A5-K7 PolarHBondContact O-N 3.35Å; K7-L9 VanDerWaalsContact C-N 3.32Å; K7-L9 PolarHBondContact O-N 3.32Å
8	K	48.9	Very low	62.3	Low	193 Å²	193	102.4 Å²	102.4	84%	0.839	54%	0.538	S	S	*	.			trans	-65.2	95.5	174.7	-99.4	-169.6	174.2	-175.2	0	108.5	V6 H10	V6-K8 PolarHBondContact O-N 3.13Å; V6-K8 VanDerWaalsContact O-N 3.17Å; K8-H10 PolarHBondContact O-N 2.95Å
9	L	59	Low	63.6	Low	123 Å²	123	103.6 Å²	103.6	64%	0.644	54%	0.539	S	S	*	.			trans	-61.6	126.5	177.2	-79.3	171.6	0	0	0	110	K7 S13	K7-L9 VanDerWaalsContact C-N 3.32Å; K7-L9 PolarHBondContact O-N 3.32Å; L9-S13 WeakPolarHBondContact CB-OG 3.44Å
10	H	79.8	Confident	64.4	Low	65 Å²	65	99 Å²	99	30%	0.301	52%	0.516	S	S	.	.			trans	-72.3	143.9	177.8	173.7	-76.1	0	0	0	109.6	K8 R12 S13 V114 D115	K8-H10 PolarHBondContact O-N 2.95Å; H10-R12 PolarHBondContact ND1-N 2.77Å; H10-R12 VanDerWaalsContact ND1-N 3.2Å; H10-R12 PolarHBondContact O-N 2.87Å; H10-S13 PolarHBondContact O-N 2.72Å; H10-S13 PolarHBondContact O-OG 2.86Å; H10-V114 WeakPolarHBondContact CE1-CG1 3.44Å; H10-D115 IonicContact NE2-OD2 3.89Å; H10-D115 PolarHBondContact NE2-OD2 2.86Å
11	W	84.8	Confident	64.6	Low	18 Å²	18	98 Å²	98	7%	0.068	52%	0.515	C	S	.	.	G	3₁₀ helix	trans	-51.1	-33.2	-169.1	63.6	-101.5	0	0	0	114.5	S13 N14 V15 L60 V91 L97 V114 D115 L118	W11-S13 PolarHBondContact O-N 3.3Å; W11-S13 VanDerWaalsContact O-N 3.13Å; W11-N14 PolarHBondContact O-N 3.05Å; W11-V15 HydrophobicContact CE3-CG2 4.05Å; W11-V15 HydrophobicContact CZ3-CG2 4.08Å; W11-L60 HydrophobicContact CE3-CD1 4.42Å; W11-L60 HydrophobicContact CZ3-CD1 3.9Å; W11-L60 HydrophobicContact CZ3-CD2 4.26Å; W11-V91 HydrophobicContact CB-CG2 4.41Å; W11-L97 HydrophobicContact CB-CB 4.36Å; W11-L97 HydrophobicContact CD2-CD2 4.11Å; W11-L97 HydrophobicContact CE3-CD2 4.26Å; W11-L97 HydrophobicContact CG-CB 4.11Å; W11-L97 HydrophobicContact CG-CD2 4.34Å; W11-V114 HydrophobicContact CH2-CG1 4.29Å; W11-V114 HydrophobicContact CZ2-CG1 3.6Å; W11-D115 PolarHBondContact NE1-OD1 2.9Å; W11-L118 HydrophobicContact CH2-CD1 3.92Å; W11-L118 HydrophobicContact CH2-CD2 4.11Å; W11-L118 HydrophobicContact CZ2-CB 4.49Å; W11-L118 HydrophobicContact CZ2-CD1 4.14Å; W11-L118 HydrophobicContact CZ2-CD2 3.72Å; W11-L118 HydrophobicContact CZ2-CG 4.34Å
12	R	83.4	Confident	66.2	Low	125 Å²	125	90.7 Å²	90.7	47%	0.472	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-51.4	-28.6	172.5	-84.6	-165.8	-177.8	171.5	9.4	115.4	H10 N14 V114	H10-R12 PolarHBondContact ND1-N 2.77Å; H10-R12 VanDerWaalsContact ND1-N 3.2Å; H10-R12 PolarHBondContact O-N 2.87Å; R12-N14 VanDerWaalsContact C-N 3.28Å; R12-V114 HydrophobicContact CG-CG1 3.95Å; R12-V114 VanDerWaalsContact CZ-CG1 3.48Å
13	S	81	Confident	67.4	Low	70 Å²	70	90 Å²	90	49%	0.49	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-79.4	-11.6	177.1	61.8	0	0	0	0	113.8	L9 H10 W11	L9-S13 WeakPolarHBondContact CB-OG 3.44Å; H10-S13 PolarHBondContact O-N 2.72Å; H10-S13 PolarHBondContact O-OG 2.86Å; W11-S13 PolarHBondContact O-N 3.3Å; W11-S13 VanDerWaalsContact O-N 3.13Å
14	N	84.4	Confident	68	Low	85 Å²	85	88.1 Å²	88.1	46%	0.455	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-109.1	13.5	-176.9	-56.7	8.4	0	0	0	111	W11 R12 Q16 V91	W11-N14 PolarHBondContact O-N 3.05Å; R12-N14 VanDerWaalsContact C-N 3.28Å; N14-Q16 PolarHBondContact O-N 3.27Å; N14-V91 HydrophobicContact CB-CG2 4.29Å
15	V	89.9	Confident	68.6	Low	48 Å²	48	87.3 Å²	87.3	29%	0.291	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	122.2	177.3	175.5	0	0	0	0	109	W11 L60 K89 T90 V91	W11-V15 HydrophobicContact CE3-CG2 4.05Å; W11-V15 HydrophobicContact CZ3-CG2 4.08Å; V15-L60 HydrophobicContact CB-CD1 4.41Å; V15-L60 HydrophobicContact CG1-CD1 3.92Å; V15-L60 HydrophobicContact CG2-CD1 3.62Å; V15-K89 HydrophobicContact CG1-CB 4.13Å; V15-K89 HydrophobicContact CG1-CD 4.38Å; V15-K89 HydrophobicContact CG1-CG 4.41Å; V15-T90 CarbonylContact C-O 3.57Å; V15-T90 WeakPolarHBondContact CA-O 3.28Å; V15-V91 HydrophobicContact CG2-CB 4.31Å; V15-V91 HydrophobicContact CG2-CG2 4.48Å
16	Q	88.4	Confident	69.1	Low	75 Å²	75	87.9 Å²	87.9	35%	0.35	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	151.4	171	-57.8	-177.2	18.7	0	0	109	N14 K89 T90	N14-Q16 PolarHBondContact O-N 3.27Å; Q16-K89 CarbonylContact O-C 3.38Å; Q16-K89 VanDerWaalsContact O-CA 3.26Å; Q16-K89 WeakPolarHBondContact O-CA 3.37Å; Q16-T90 PolarHBondContact N-O 3.29Å; Q16-T90 PolarHBondContact O-N 2.84Å
17	D	90.2	Very high	69.8	Low	66 Å²	66	83.5 Å²	83.5	35%	0.353	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	98.2	-175	-159.2	-13.6	0	0	0	108.1	R87 K89	D17-R87 WeakPolarHBondContact OD1-CG 3.49Å; D17-R87 IonicContact OD1-CZ 3.61Å; D17-R87 IonicContact OD1-NE 3.48Å; D17-R87 PolarHBondContact OD1-NE 3.25Å; D17-R87 IonicContact OD1-NH2 3.76Å; D17-R87 IonicContact OD2-CZ 2.7Å; D17-R87 VanDerWaalsContact OD2-CZ 3.29Å; D17-R87 IonicContact OD2-NE 2.84Å; D17-R87 PolarHBondContact OD2-NE 2.9Å; D17-R87 VanDerWaalsContact OD2-NE 3.12Å; D17-R87 IonicContact OD2-NH2 3.74Å; D17-R87 PolarHBondContact OD2-NH2 3.22Å; D17-K89 HydrophobicContact CB-CG 4.34Å
18	T	87.3	Confident	70.5	Confident	22 Å²	22	82.5 Å²	82.5	14%	0.135	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	138.8	-167.2	-68.3	0	0	0	0	110.6	V20 G52 L53 R87 I88	T18-V20 HydrophobicContact CG2-CG2 4.46Å; T18-G52 WeakPolarHBondContact CB-O 3.5Å; T18-G52 WeakPolarHBondContact CG2-O 3.19Å; T18-G52 PolarHBondContact OG1-O 3.24Å; T18-L53 HydrophobicContact CG2-CD2 3.76Å; T18-L53 HydrophobicContact CG2-CG 4Å; T18-R87 CarbonylContact O-C 3.54Å; T18-R87 WeakPolarHBondContact O-CA 3.36Å; T18-I88 PolarHBondContact N-O 3.34Å; T18-I88 PolarHBondContact O-N 3.28Å
19	F	86.2	Confident	71.2	Confident	126 Å²	126	74.8 Å²	74.8	55%	0.553	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	124.6	170.1	-67.7	-93.3	0	0	0	110.4	P85 I86 R87	F19-P85 HydrophobicContact CD1-CG 4.43Å; F19-I86 WeakPolarHBondContact CA-O 3.2Å; F19-R87 HydrophobicContact CD1-CB 4.03Å; F19-R87 HydrophobicContact CD1-CG 4.48Å; F19-R87 HydrophobicContact CE1-CB 3.74Å; F19-R87 HydrophobicContact CE1-CG 3.97Å; F19-R87 HydrophobicContact CE2-CG 4.48Å; F19-R87 HydrophobicContact CZ-CB 4.26Å; F19-R87 HydrophobicContact CZ-CG 3.97Å
20	V	79.4	Confident	71.5	Confident	11 Å²	11	70.3 Å²	70.3	7%	0.067	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	112.1	177.8	-177.4	0	0	0	0	108.5	T18 L29 V31 L53 I86 I88	T18-V20 HydrophobicContact CG2-CG2 4.46Å; V20-L29 HydrophobicContact CG1-CD1 3.9Å; V20-L29 HydrophobicContact CG1-CG 4.32Å; V20-V31 HydrophobicContact CB-CG2 4.48Å; V20-V31 HydrophobicContact CG1-CG2 3.67Å; V20-V31 HydrophobicContact CG2-CG2 3.94Å; V20-L53 HydrophobicContact CG2-CD1 4.08Å; V20-I86 HydrophobicContact CB-CB 4.38Å; V20-I86 PolarHBondContact N-O 3.09Å; V20-I86 PolarHBondContact O-N 2.92Å; V20-I88 HydrophobicContact CG2-CD1 3.83Å; V20-I88 HydrophobicContact CG2-CG1 4.14Å
21	P	68.3	Low	71.6	Confident	78 Å²	78	67.9 Å²	67.9	51%	0.506	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-76.5	158	172	32.8	-34.3	0	0	0	110.9	L23	P21-L23 HydrophobicContact CG-CD1 4.3Å
22	L	67.7	Low	71.6	Confident	92 Å²	92	68.9 Å²	68.9	48%	0.482	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-70.9	128.2	167.5	-164.2	79.2	0	0	0	108.6	H84	L22-H84 WeakPolarHBondContact CD1-NE2 3.44Å
23	L	56	Low	71.9	Confident	85 Å²	85	63.1 Å²	63.1	45%	0.445	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-99.6	121.3	177.6	-95.1	92.5	0	0	0	111.8	P21	P21-L23 HydrophobicContact CG-CD1 4.3Å
24	G	49.6	Very low	72.4	Confident	64 Å²	64	60.2 Å²	60.2	66%	0.66	38%	0.378	S	S	*	.	S	Bend	trans	71.7	-179.5	164.3	0	0	0	0	0	115.9	S26	G24-S26 VanDerWaalsContact C-N 3.31Å; G24-S26 PolarHBondContact O-N 2.88Å
25	A	41.4	Very low	72.7	Confident	118 Å²	118	56.5 Å²	56.5	98%	0.975	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-3.2	-174.6	0	0	0	0	0	114.5
26	S	46.9	Very low	72.7	Confident	82 Å²	82	54.2 Å²	54.2	57%	0.573	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-18.5	175	58.5	0	0	0	0	113.3	G24 E28	G24-S26 VanDerWaalsContact C-N 3.31Å; G24-S26 PolarHBondContact O-N 2.88Å; S26-E28 PolarHBondContact O-N 3.42Å
27	G	52.3	Low	72.8	Confident	43 Å²	43	50.6 Å²	50.6	44%	0.443	33%	0.329	S	S	.	.			trans	70.3	8.6	-174.7	0	0	0	0	0	114.3
28	E	55.1	Low	72.7	Confident	143 Å²	143	47.7 Å²	47.7	67%	0.668	31%	0.314	S	S	*	.			trans	-73.4	128.3	179.2	-69.6	-178.1	127.8	0	0	111.3	S26 G30	S26-E28 PolarHBondContact O-N 3.42Å; E28-G30 PolarHBondContact O-N 2.68Å
29	L	63.7	Low	72.8	Confident	32 Å²	32	52.2 Å²	52.2	17%	0.168	33%	0.329	C	S	.	.			trans	-78.4	114.5	172.2	-159.2	79.5	0	0	0	109.4	V20 V31 L79 H84 I86	V20-L29 HydrophobicContact CG1-CD1 3.9Å; V20-L29 HydrophobicContact CG1-CG 4.32Å; L29-V31 HydrophobicContact CD2-CB 4.27Å; L29-V31 PolarHBondContact O-N 2.81Å; L29-L79 HydrophobicContact CD2-CD1 3.43Å; L29-L79 VanDerWaalsContact CD2-CD1 3.43Å; L29-L79 HydrophobicContact CD2-CD2 3.89Å; L29-L79 HydrophobicContact CD2-CG 3.44Å; L29-L79 VanDerWaalsContact CD2-CG 3.44Å; L29-H84 VanDerWaalsContact CD1-NE2 3.27Å; L29-H84 WeakPolarHBondContact CD1-NE2 3.45Å; L29-I86 HydrophobicContact CD1-CD1 3.93Å; L29-I86 HydrophobicContact CD2-CD1 3.92Å
30	G	65.1	Low	72.8	Confident	28 Å²	28	46.2 Å²	46.2	29%	0.289	30%	0.303	S	S	.	.			trans	-62.3	-13.5	-178.9	0	0	0	0	0	115	E28 A32 P49	E28-G30 PolarHBondContact O-N 2.68Å; G30-A32 PolarHBondContact O-N 2.7Å; G30-P49 WeakPolarHBondContact O-CD 3.42Å
31	V	81.8	Confident	73.4	Confident	14 Å²	14	48.9 Å²	48.9	9%	0.085	32%	0.315	C	S	.	.			trans	-83.6	108.4	-177.9	-179.8	0	0	0	0	110.8	V20 L29 S47 L53 I88	V20-V31 HydrophobicContact CB-CG2 4.48Å; V20-V31 HydrophobicContact CG1-CG2 3.67Å; V20-V31 HydrophobicContact CG2-CG2 3.94Å; L29-V31 HydrophobicContact CD2-CB 4.27Å; L29-V31 PolarHBondContact O-N 2.81Å; V31-S47 WeakPolarHBondContact CA-O 3.16Å; V31-L53 HydrophobicContact CB-CD1 4.32Å; V31-L53 HydrophobicContact CG1-CD1 3.61Å; V31-L53 HydrophobicContact CG2-CD1 3.67Å; V31-I88 HydrophobicContact CG1-CD1 4.47Å
32	A	85.7	Confident	74.6	Confident	40 Å²	40	45.2 Å²	45.2	33%	0.331	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	145.7	172.4	0	0	0	0	0	111.2	G30 T46 S47	G30-A32 PolarHBondContact O-N 2.7Å; A32-T46 VanDerWaalsContact CB-OG1 3.28Å; A32-T46 WeakPolarHBondContact CB-OG1 3.41Å; A32-T46 PolarHBondContact O-N 2.99Å; A32-T46 PolarHBondContact O-OG1 3.22Å; A32-S47 PolarHBondContact N-O 2.87Å; A32-S47 PolarHBondContact O-N 2.86Å
33	V	90.7	Very high	75.9	Confident	3 Å²	3	40.8 Å²	40.8	2%	0.018	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	143	-179.3	-177.5	0	0	0	0	110.8	P43 F44 T46 I59 L72 V75 R76 L79	V33-P43 HydrophobicContact CG1-CB 4.21Å; V33-F44 WeakPolarHBondContact CA-O 3.28Å; V33-T46 PolarHBondContact N-OG1 3.03Å; V33-I59 HydrophobicContact CB-CD1 4.34Å; V33-I59 HydrophobicContact CG1-CD1 3.82Å; V33-I59 HydrophobicContact CG2-CD1 3.6Å; V33-L72 HydrophobicContact CG1-CD1 4.21Å; V33-V75 HydrophobicContact CG1-CG1 3.97Å; V33-R76 PolarHBondContact O-NH2 2.87Å; V33-L79 HydrophobicContact CG2-CD2 3.67Å
34	G	89.8	Confident	77.7	Confident	9 Å²	9	38.4 Å²	38.4	9%	0.093	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	-173.1	170.5	0	0	0	0	0	111.7	P43 F44	G34-P43 CarbonylContact O-C 3.56Å; G34-P43 WeakPolarHBondContact O-CA 3.38Å; G34-F44 PolarHBondContact N-O 3.48Å; G34-F44 PolarHBondContact O-N 3.17Å
35	G	90.4	Very high	79.7	Confident	7 Å²	7	35.3 Å²	35.3	7%	0.072	22%	0.222	C	C	.	.			trans	69.4	-158.5	-167.4	0	0	0	0	0	111.5	Y39 L72	G35-Y39 WeakPolarHBondContact O-CD2 3.43Å; G35-L72 WeakPolarHBondContact O-CB 3.3Å; G35-L72 WeakPolarHBondContact O-CD1 3.3Å
36	G	90.6	Very high	82.1	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.194	C	C	.	.			trans	122.9	156.2	-179	0	0	0	0	0	112.7	D38 Y39 G40 E41	G36-D38 PolarHBondContact O-N 2.86Å; G36-Y39 WeakPolarHBondContact O-CA 3.38Å; G36-Y39 WeakPolarHBondContact O-CB 3.44Å; G36-Y39 PolarHBondContact O-N 3.3Å; G36-G40 PolarHBondContact O-N 3.23Å; G36-E41 CarbonylContact C-O 3.53Å; G36-E41 VanDerWaalsContact CA-O 3.3Å; G36-E41 WeakPolarHBondContact CA-O 3.36Å; G36-E41 PolarHBondContact N-O 2.93Å; G36-E41 PolarHBondContact O-N 2.91Å; G36-E41 VanDerWaalsContact O-N 3.13Å
37	A	90.7	Very high	83.8	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-60	-32.4	-172.9	0	0	0	0	0	113.7	Y39 G40 E41 G69 M70 L101 L126 R181 P182	A37-Y39 PolarHBondContact O-N 2.78Å; A37-G40 PolarHBondContact O-N 2.9Å; A37-E41 PolarHBondContact N-O 2.92Å; A37-G69 WeakPolarHBondContact CB-O 3.48Å; A37-M70 WeakPolarHBondContact CB-O 3.46Å; A37-M70 PolarHBondContact N-O 3.39Å; A37-L101 HydrophobicContact CB-CD2 4.07Å; A37-L126 HydrophobicContact CB-CD2 3.59Å; A37-R181 WeakPolarHBondContact O-CG 3.4Å; A37-P182 HydrophobicContact CB-CG 4.05Å
38	D	88.4	Confident	85.1	Confident	5 Å²	5	30.2 Å²	30.2	3%	0.027	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-63.9	-25.2	173.4	51.4	-44.7	0	0	0	113.4	G36 T71 L72 R181 P182 H184	G36-D38 PolarHBondContact O-N 2.86Å; D38-T71 HydrophobicContact CB-CG2 4.36Å; D38-T71 WeakPolarHBondContact OD1-CA 3.36Å; D38-T71 WeakPolarHBondContact OD1-CB 3.45Å; D38-L72 PolarHBondContact OD1-N 3.32Å; D38-R181 WeakPolarHBondContact O-CD 3.2Å; D38-R181 PolarHBondContact O-NH1 2.84Å; D38-P182 WeakPolarHBondContact CA-O 3.44Å; D38-P182 WeakPolarHBondContact CB-O 3.3Å; D38-H184 IonicContact OD2-CE1 3.76Å; D38-H184 IonicContact OD2-CG 2.67Å; D38-H184 IonicContact OD2-ND1 3.55Å; D38-H184 PolarHBondContact OD2-ND1 2.85Å
39	Y	88.3	Confident	85.4	Confident	116 Å²	116	28 Å²	28	46%	0.455	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-90.8	-8.6	170.3	-63.7	-87.7	0	0	0	113.2	G35 G36 A37 E41 L72 H184	G35-Y39 WeakPolarHBondContact O-CD2 3.43Å; G36-Y39 WeakPolarHBondContact O-CA 3.38Å; G36-Y39 WeakPolarHBondContact O-CB 3.44Å; G36-Y39 PolarHBondContact O-N 3.3Å; A37-Y39 PolarHBondContact O-N 2.78Å; Y39-E41 VanDerWaalsContact C-N 3.31Å; Y39-L72 HydrophobicContact CD2-CB 4.31Å; Y39-L72 HydrophobicContact CD2-CD2 4.4Å; Y39-L72 HydrophobicContact CE2-CB 3.83Å; Y39-L72 HydrophobicContact CE2-CD2 3.57Å; Y39-L72 HydrophobicContact CE2-CG 4.36Å; Y39-H184 AromaticContact CE2-ND1 3.99Å; Y39-H184 AromaticContact CZ-CE1 3.96Å; Y39-H184 PolarHBondContact OH-CE1 2.68Å
40	G	86.8	Confident	85.3	Confident	1 Å²	1	29.3 Å²	29.3	1%	0.01	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	19.7	-170.7	0	0	0	0	0	113.7	G36 A37 L101	G36-G40 PolarHBondContact O-N 3.23Å; A37-G40 PolarHBondContact O-N 2.9Å; G40-L101 VanDerWaalsContact O-CB 3.29Å; G40-L101 WeakPolarHBondContact O-CB 3.29Å; G40-L101 PolarHBondContact O-N 2.8Å
41	E	92.5	Very high	84.9	Confident	67 Å²	67	31.5 Å²	31.5	31%	0.313	21%	0.213	S	C	.	.	B	Isolated β-bridge	trans	-120.5	158.9	-178.9	-64.2	-166.7	124.5	0	0	111.7	G36 A37 Y39 K99	G36-E41 CarbonylContact C-O 3.53Å; G36-E41 VanDerWaalsContact CA-O 3.3Å; G36-E41 WeakPolarHBondContact CA-O 3.36Å; G36-E41 PolarHBondContact N-O 2.93Å; G36-E41 PolarHBondContact O-N 2.91Å; G36-E41 VanDerWaalsContact O-N 3.13Å; A37-E41 PolarHBondContact N-O 2.92Å; Y39-E41 VanDerWaalsContact C-N 3.31Å; E41-K99 CarbonylContact C-O 3.59Å; E41-K99 WeakPolarHBondContact CA-O 3.4Å
42	F	93.9	Very high	84.2	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	23%	0.227	C	C	.	.			trans	-69.3	148.4	162.5	-71.9	-77.5	0	0	0	111.2	F44 I58 L68 L97 C98 K99 L101 Y104 I122	F42-F44 PolarHBondContact O-N 2.92Å; F42-I58 HydrophobicContact CB-CD1 4.44Å; F42-I58 HydrophobicContact CB-CG1 4.25Å; F42-I58 HydrophobicContact CB-CG2 3.83Å; F42-I58 HydrophobicContact CD1-CG2 4.46Å; F42-I58 HydrophobicContact CD2-CD1 4.38Å; F42-I58 HydrophobicContact CG-CG2 4.21Å; F42-L68 HydrophobicContact CD1-CB 4.29Å; F42-L68 HydrophobicContact CD1-CD2 3.43Å; F42-L68 VanDerWaalsContact CD1-CD2 3.43Å; F42-L68 HydrophobicContact CD1-CG 4.41Å; F42-L68 HydrophobicContact CE1-CB 4.26Å; F42-L68 HydrophobicContact CE1-CD2 3.87Å; F42-L68 HydrophobicContact CG-CD2 4.42Å; F42-L97 HydrophobicContact CE1-CD1 4.26Å; F42-L97 HydrophobicContact CE2-CD1 3.81Å; F42-L97 HydrophobicContact CZ-CD1 3.62Å; F42-C98 WeakPolarHBondContact CD2-O 3.4Å; F42-C98 VanDerWaalsContact CE2-O 3.31Å; F42-C98 WeakPolarHBondContact CE2-O 3.39Å; F42-K99 WeakPolarHBondContact CD2-O 3.37Å; F42-K99 PolarHBondContact N-O 2.82Å; F42-L101 HydrophobicContact CD1-CD1 3.81Å; F42-L101 HydrophobicContact CD2-CB 4.47Å; F42-L101 HydrophobicContact CD2-CD1 4.27Å; F42-L101 HydrophobicContact CE1-CD1 3.4Å; F42-L101 VanDerWaalsContact CE1-CD1 3.4Å; F42-L101 HydrophobicContact CE2-CD1 3.9Å; F42-L101 HydrophobicContact CG-CD1 4.26Å; F42-L101 HydrophobicContact CZ-CD1 3.46Å; F42-L101 VanDerWaalsContact CZ-CD1 3.46Å; F42-Y104 HydrophobicContact CE2-CD1 4.42Å; F42-Y104 HydrophobicContact CE2-CG 4.06Å; F42-Y104 AromaticContact CZ-CD1 3.7Å; F42-Y104 HydrophobicContact CZ-CD1 3.7Å; F42-Y104 HydrophobicContact CZ-CE1 4.41Å; F42-Y104 AromaticContact CZ-CG 3.8Å; F42-Y104 HydrophobicContact CZ-CG 3.8Å; F42-I122 HydrophobicContact CE1-CD1 3.57Å; F42-I122 HydrophobicContact CE1-CG1 4.22Å; F42-I122 HydrophobicContact CZ-CD1 3.84Å
43	P	94.2	Very high	84.1	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	22%	0.215	C	C	.	.			trans	-63.4	136.1	170	27.3	-33.6	0	0	0	110.5	V33 G34 I59 V67 V75	V33-P43 HydrophobicContact CG1-CB 4.21Å; G34-P43 CarbonylContact O-C 3.56Å; G34-P43 WeakPolarHBondContact O-CA 3.38Å; P43-I59 PolarHBondContact O-N 2.89Å; P43-V67 HydrophobicContact CG-CG2 4.27Å; P43-V75 HydrophobicContact CB-CG1 4.06Å; P43-V75 HydrophobicContact CB-CG2 4.03Å; P43-V75 HydrophobicContact CG-CG2 4.23Å
44	F	93.9	Very high	83.9	Confident	34 Å²	34	34.4 Å²	34.4	15%	0.149	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	153.9	-179.1	68.2	-98.3	0	0	0	112.9	V33 G34 F42 T46 D57 K99	V33-F44 WeakPolarHBondContact CA-O 3.28Å; G34-F44 PolarHBondContact N-O 3.48Å; G34-F44 PolarHBondContact O-N 3.17Å; F42-F44 PolarHBondContact O-N 2.92Å; F44-T46 HydrophobicContact CD2-CG2 4.02Å; F44-T46 HydrophobicContact CE2-CG2 3.55Å; F44-T46 HydrophobicContact CZ-CG2 4.31Å; F44-T46 PolarHBondContact O-N 3.37Å; F44-D57 CarbonylContact C-O 3.54Å; F44-D57 WeakPolarHBondContact CA-O 3.31Å; F44-D57 WeakPolarHBondContact CB-O 3.34Å; F44-K99 HydrophobicContact CD1-CD 3.96Å; F44-K99 HydrophobicContact CE1-CD 4.22Å; F44-K99 HydrophobicContact CG-CD 4.27Å; F44-K99 VanDerWaalsContact CG-NZ 3.27Å
45	V	92.6	Very high	83.9	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	123.7	179.4	-177.8	0	0	0	0	110.2	A48 L53 G56 D57 I59 T90	V45-A48 HydrophobicContact CG1-CB 4.12Å; V45-L53 HydrophobicContact CG1-CB 4.26Å; V45-L53 HydrophobicContact CG2-CB 4.41Å; V45-L53 HydrophobicContact CG2-CD1 4.23Å; V45-G56 PolarHBondContact O-N 3.33Å; V45-D57 PolarHBondContact N-O 3.37Å; V45-I59 HydrophobicContact CG2-CD1 3.99Å; V45-I59 HydrophobicContact CG2-CG1 3.87Å; V45-T90 HydrophobicContact CG2-CG2 4.21Å
46	T	89.9	Confident	83.8	Confident	63 Å²	63	38.6 Å²	38.6	39%	0.387	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-25.7	175.7	50	0	0	0	0	113.6	A32 V33 F44 V55	A32-T46 VanDerWaalsContact CB-OG1 3.28Å; A32-T46 WeakPolarHBondContact CB-OG1 3.41Å; A32-T46 PolarHBondContact O-N 2.99Å; A32-T46 PolarHBondContact O-OG1 3.22Å; V33-T46 PolarHBondContact N-OG1 3.03Å; F44-T46 HydrophobicContact CD2-CG2 4.02Å; F44-T46 HydrophobicContact CE2-CG2 3.55Å; F44-T46 HydrophobicContact CZ-CG2 4.31Å; F44-T46 PolarHBondContact O-N 3.37Å; T46-V55 WeakPolarHBondContact O-CG1 3.36Å
47	S	83.8	Confident	83.9	Confident	55 Å²	55	38.8 Å²	38.8	39%	0.385	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	148.5	172	-169.9	0	0	0	0	111	V31 A32	V31-S47 WeakPolarHBondContact CA-O 3.16Å; A32-S47 PolarHBondContact N-O 2.87Å; A32-S47 PolarHBondContact O-N 2.86Å
48	A	80.1	Confident	84.1	Confident	18 Å²	18	38.8 Å²	38.8	15%	0.149	26%	0.26	C	S	.	.			trans	-154.6	75.9	179.6	0	0	0	0	0	111.5	V45 G50 G51 L53	V45-A48 HydrophobicContact CG1-CB 4.12Å; A48-G50 PolarHBondContact O-N 2.73Å; A48-G50 VanDerWaalsContact O-N 3.1Å; A48-G51 PolarHBondContact O-N 3.16Å; A48-L53 HydrophobicContact CB-CB 3.77Å
49	P	61.3	Low	84.4	Confident	96 Å²	96	38.5 Å²	38.5	62%	0.623	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-9	-174.8	30.4	-34.9	0	0	0	113.9	G30	G30-P49 WeakPolarHBondContact O-CD 3.42Å
50	G	60.7	Low	84.6	Confident	60 Å²	60	33.5 Å²	33.5	62%	0.619	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	6.1	175.8	0	0	0	0	0	115.5	A48 G52	A48-G50 PolarHBondContact O-N 2.73Å; A48-G50 VanDerWaalsContact O-N 3.1Å; G50-G52 VanDerWaalsContact C-N 3.26Å; G50-G52 PolarHBondContact O-N 3.45Å; G50-G52 VanDerWaalsContact O-N 3.09Å
51	G	56.3	Low	84.9	Confident	73 Å²	73	35.9 Å²	35.9	75%	0.753	25%	0.25	S	S	*	.	S	Bend	trans	72.7	-1.5	169.8	0	0	0	0	0	117.8	A48	A48-G51 PolarHBondContact O-N 3.16Å
52	G	67.8	Low	85	Confident	38 Å²	38	32.7 Å²	32.7	39%	0.392	24%	0.235	S	C	.	.	S	Bend	trans	-94.9	-11.4	-177.4	0	0	0	0	0	116.8	T18 G50	T18-G52 WeakPolarHBondContact CB-O 3.5Å; T18-G52 WeakPolarHBondContact CG2-O 3.19Å; T18-G52 PolarHBondContact OG1-O 3.24Å; G50-G52 VanDerWaalsContact C-N 3.26Å; G50-G52 PolarHBondContact O-N 3.45Å; G50-G52 VanDerWaalsContact O-N 3.09Å
53	L	82.5	Confident	84.7	Confident	15 Å²	15	33.6 Å²	33.6	8%	0.079	25%	0.245	C	C	.	.	S	Bend	trans	-124.5	138.3	-178	-66.4	174.9	0	0	0	111	T18 V20 V31 V45 A48 I88 T90	T18-L53 HydrophobicContact CG2-CD2 3.76Å; T18-L53 HydrophobicContact CG2-CG 4Å; V20-L53 HydrophobicContact CG2-CD1 4.08Å; V31-L53 HydrophobicContact CB-CD1 4.32Å; V31-L53 HydrophobicContact CG1-CD1 3.61Å; V31-L53 HydrophobicContact CG2-CD1 3.67Å; V45-L53 HydrophobicContact CG1-CB 4.26Å; V45-L53 HydrophobicContact CG2-CB 4.41Å; V45-L53 HydrophobicContact CG2-CD1 4.23Å; A48-L53 HydrophobicContact CB-CB 3.77Å; L53-I88 HydrophobicContact CD1-CD1 4.29Å; L53-T90 HydrophobicContact CD2-CG2 3.77Å
54	T	86.9	Confident	84.3	Confident	65 Å²	65	35.4 Å²	35.4	40%	0.399	26%	0.264	S	S	.	.			trans	-81.1	120.6	176.4	-51.7	0	0	0	0	110.1	G56 D57	T54-G56 PolarHBondContact O-N 3.15Å; T54-D57 WeakPolarHBondContact O-CB 3.39Å; T54-D57 PolarHBondContact O-N 3.12Å; T54-D57 VanDerWaalsContact O-N 3.17Å
55	V	89.4	Confident	84.1	Confident	89 Å²	89	34 Å²	34	54%	0.539	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	126.2	175.1	175.8	0	0	0	0	109.6	T46	T46-V55 WeakPolarHBondContact O-CG1 3.36Å
56	G	88.4	Confident	84	Confident	16 Å²	16	35.5 Å²	35.5	17%	0.165	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	99.9	-11.4	-176.7	0	0	0	0	0	115.4	V45 T54 K99	V45-G56 PolarHBondContact O-N 3.33Å; T54-G56 PolarHBondContact O-N 3.15Å; G56-K99 WeakPolarHBondContact O-CE 3.19Å; G56-K99 PolarHBondContact O-NZ 2.73Å
57	D	93.1	Very high	84.2	Confident	3 Å²	3	32.5 Å²	32.5	2%	0.016	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-64.2	145.9	172.4	-81.8	5.5	0	0	0	112.2	F44 V45 T54 T90 S92	F44-D57 CarbonylContact C-O 3.54Å; F44-D57 WeakPolarHBondContact CA-O 3.31Å; F44-D57 WeakPolarHBondContact CB-O 3.34Å; V45-D57 PolarHBondContact N-O 3.37Å; T54-D57 WeakPolarHBondContact O-CB 3.39Å; T54-D57 PolarHBondContact O-N 3.12Å; T54-D57 VanDerWaalsContact O-N 3.17Å; D57-T90 HydrophobicContact CB-CG2 4.47Å; D57-T90 PolarHBondContact OD2-OG1 3.33Å; D57-S92 WeakPolarHBondContact OD1-CA 3.44Å; D57-S92 VanDerWaalsContact OD1-CB 3.26Å; D57-S92 WeakPolarHBondContact OD1-CB 3.2Å; D57-S92 PolarHBondContact OD1-N 3Å; D57-S92 PolarHBondContact OD1-OG 3.1Å
58	I	94.6	Very high	84.6	Confident	0 Å²	0	30 Å²	30	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	134.2	171.8	-66.5	168.7	0	0	0	109.5	F42 L60 L68 T90 V91 P93 L97 C98 K99	F42-I58 HydrophobicContact CB-CD1 4.44Å; F42-I58 HydrophobicContact CB-CG1 4.25Å; F42-I58 HydrophobicContact CB-CG2 3.83Å; F42-I58 HydrophobicContact CD1-CG2 4.46Å; F42-I58 HydrophobicContact CD2-CD1 4.38Å; F42-I58 HydrophobicContact CG-CG2 4.21Å; I58-L60 HydrophobicContact CG2-CD2 4.36Å; I58-L68 HydrophobicContact CG2-CD2 3.91Å; I58-T90 CarbonylContact O-C 3.59Å; I58-T90 WeakPolarHBondContact O-CA 3.33Å; I58-T90 WeakPolarHBondContact O-CB 3.12Å; I58-V91 HydrophobicContact CB-CG1 4.24Å; I58-V91 PolarHBondContact N-O 3.21Å; I58-V91 PolarHBondContact O-N 3.48Å; I58-P93 HydrophobicContact CD1-CB 4.08Å; I58-P93 HydrophobicContact CG1-CB 4.45Å; I58-L97 HydrophobicContact CD1-CD2 4.41Å; I58-L97 HydrophobicContact CD1-CG 4.01Å; I58-C98 WeakPolarHBondContact CD1-O 3.25Å; I58-K99 HydrophobicContact CD1-CG 4.48Å; I58-K99 HydrophobicContact CG1-CG 4.32Å
59	I	94.6	Very high	85	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	116.7	178.6	-55.9	173	0	0	0	109.3	V33 P43 V45 I62 V67 L68 I88 T90	V33-I59 HydrophobicContact CB-CD1 4.34Å; V33-I59 HydrophobicContact CG1-CD1 3.82Å; V33-I59 HydrophobicContact CG2-CD1 3.6Å; P43-I59 PolarHBondContact O-N 2.89Å; V45-I59 HydrophobicContact CG2-CD1 3.99Å; V45-I59 HydrophobicContact CG2-CG1 3.87Å; I59-I62 HydrophobicContact CG2-CD1 4.14Å; I59-I62 HydrophobicContact CG2-CG1 3.79Å; I59-V67 HydrophobicContact CB-CG2 4.41Å; I59-V67 HydrophobicContact CG2-CG2 3.76Å; I59-L68 WeakPolarHBondContact O-CD2 3.4Å; I59-I88 HydrophobicContact CG2-CG2 3.79Å; I59-T90 HydrophobicContact CG1-CG2 4.31Å
60	L	93.8	Very high	86.4	Confident	10 Å²	10	24.8 Å²	24.8	5%	0.052	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-49.3	-177.6	-59.5	173.3	0	0	0	111.8	W11 V15 I58 P66 V67 L68 K89 V91 L97	W11-L60 HydrophobicContact CE3-CD1 4.42Å; W11-L60 HydrophobicContact CZ3-CD1 3.9Å; W11-L60 HydrophobicContact CZ3-CD2 4.26Å; V15-L60 HydrophobicContact CB-CD1 4.41Å; V15-L60 HydrophobicContact CG1-CD1 3.92Å; V15-L60 HydrophobicContact CG2-CD1 3.62Å; I58-L60 HydrophobicContact CG2-CD2 4.36Å; L60-P66 WeakPolarHBondContact O-CA 3.4Å; L60-V67 PolarHBondContact O-N 3.47Å; L60-L68 HydrophobicContact CD2-CD1 3.85Å; L60-L68 HydrophobicContact CD2-CD2 4.1Å; L60-L68 HydrophobicContact CD2-CG 4.46Å; L60-K89 HydrophobicContact CB-CB 4.31Å; L60-K89 PolarHBondContact N-O 2.79Å; L60-V91 HydrophobicContact CD1-CB 4.12Å; L60-V91 HydrophobicContact CD1-CG1 3.82Å; L60-V91 HydrophobicContact CD2-CG1 3.82Å; L60-V91 HydrophobicContact CG-CG1 3.91Å; L60-L97 HydrophobicContact CD2-CD2 4.03Å
61	E	93.8	Very high	87.8	Confident	51 Å²	51	22 Å²	22	24%	0.238	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	145.3	-176.8	-64.6	172.4	-136.3	0	0	111.1	G64 T65 P66 I88 K89	E61-G64 WeakPolarHBondContact OE2-CA 3.39Å; E61-T65 CarbonylContact C-O 3.49Å; E61-T65 WeakPolarHBondContact CA-O 3.48Å; E61-P66 HydrophobicContact CG-CB 4.43Å; E61-I88 WeakPolarHBondContact O-CA 3.43Å; E61-K89 HydrophobicContact CB-CB 4.22Å; E61-K89 HydrophobicContact CB-CD 4.28Å; E61-K89 HydrophobicContact CB-CG 4.48Å; E61-K89 HydrophobicContact CG-CD 4.31Å; E61-K89 PolarHBondContact N-O 2.86Å; E61-K89 PolarHBondContact O-N 3.09Å; E61-K89 WeakPolarHBondContact OE1-CD 3.44Å; E61-K89 IonicContact OE1-NZ 3.62Å; E61-K89 PolarHBondContact OE1-NZ 2.92Å; E61-K89 IonicContact OE2-NZ 2.89Å; E61-K89 PolarHBondContact OE2-NZ 3.25Å
62	I	92.8	Very high	89.5	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	123.8	171.2	-58.4	177.9	0	0	0	107.8	I59 G64 T65 V67 V75 V78 L79 C82 I86 I88	I59-I62 HydrophobicContact CG2-CD1 4.14Å; I59-I62 HydrophobicContact CG2-CG1 3.79Å; I62-G64 PolarHBondContact O-N 2.96Å; I62-G64 VanDerWaalsContact O-N 3.16Å; I62-T65 PolarHBondContact N-O 3.41Å; I62-T65 VanDerWaalsContact O-CB 3.31Å; I62-T65 WeakPolarHBondContact O-CB 3.21Å; I62-T65 PolarHBondContact O-N 3.46Å; I62-V67 HydrophobicContact CB-CG1 4.08Å; I62-V67 HydrophobicContact CD1-CG1 4Å; I62-V67 HydrophobicContact CD1-CG2 4.12Å; I62-V67 HydrophobicContact CG1-CG1 3.95Å; I62-V67 HydrophobicContact CG1-CG2 4.02Å; I62-V75 HydrophobicContact CD1-CG1 3.89Å; I62-V78 HydrophobicContact CB-CG1 4.14Å; I62-V78 HydrophobicContact CG2-CG1 4.2Å; I62-L79 HydrophobicContact CD1-CB 4.13Å; I62-L79 HydrophobicContact CD1-CD1 4.21Å; I62-L79 HydrophobicContact CG2-CD1 4.05Å; I62-C82 HydrophobicContact CG2-CB 4.3Å; I62-I86 HydrophobicContact CG2-CG2 3.81Å; I62-I88 HydrophobicContact CG1-CG2 4.49Å
63	G	87.7	Confident	90.5	Very high	20 Å²	20	18.3 Å²	18.3	21%	0.206	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	22.2	-175.6	0	0	0	0	0	114.4	T65 R87 Y194	G63-T65 VanDerWaalsContact C-N 3.33Å; G63-R87 PolarHBondContact N-O 2.64Å; G63-Y194 PolarHBondContact O-OH 3.1Å
64	G	86.5	Confident	90.8	Very high	38 Å²	38	17.7 Å²	17.7	39%	0.392	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	15	-171.5	0	0	0	0	0	114.8	E61 I62	E61-G64 WeakPolarHBondContact OE2-CA 3.39Å; I62-G64 PolarHBondContact O-N 2.96Å; I62-G64 VanDerWaalsContact O-N 3.16Å
65	T	88.9	Confident	91.1	Very high	3 Å²	3	14.6 Å²	14.6	2%	0.018	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	127.9	172.8	-62.6	0	0	0	0	109	E61 I62 G63 Y194 H197 R198	E61-T65 CarbonylContact C-O 3.49Å; E61-T65 WeakPolarHBondContact CA-O 3.48Å; I62-T65 PolarHBondContact N-O 3.41Å; I62-T65 VanDerWaalsContact O-CB 3.31Å; I62-T65 WeakPolarHBondContact O-CB 3.21Å; I62-T65 PolarHBondContact O-N 3.46Å; G63-T65 VanDerWaalsContact C-N 3.33Å; T65-Y194 VanDerWaalsContact OG1-CE2 3.28Å; T65-Y194 WeakPolarHBondContact OG1-CE2 3.29Å; T65-H197 HydrophobicContact CG2-CB 4.41Å; T65-H197 WeakPolarHBondContact CG2-CD2 3.47Å; T65-R198 WeakPolarHBondContact OG1-CG 3.43Å
66	P	92.2	Very high	91.1	Very high	32 Å²	32	16 Å²	16	21%	0.208	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	129.7	-178	30.5	-34.1	0	0	0	111.5	L60 E61 V121 N125 L201	L60-P66 WeakPolarHBondContact O-CA 3.4Å; E61-P66 HydrophobicContact CG-CB 4.43Å; P66-V121 HydrophobicContact CB-CG1 3.7Å; P66-V121 HydrophobicContact CG-CG1 3.9Å; P66-N125 PolarHBondContact O-ND2 2.85Å; P66-L201 HydrophobicContact CG-CD1 4.03Å
67	V	92.9	Very high	91.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.095	C	C	.	.			trans	-114	0.9	-172.3	-61	0	0	0	0	115.1	P43 I59 L60 I62 M70 V75 V78	P43-V67 HydrophobicContact CG-CG2 4.27Å; I59-V67 HydrophobicContact CB-CG2 4.41Å; I59-V67 HydrophobicContact CG2-CG2 3.76Å; L60-V67 PolarHBondContact O-N 3.47Å; I62-V67 HydrophobicContact CB-CG1 4.08Å; I62-V67 HydrophobicContact CD1-CG1 4Å; I62-V67 HydrophobicContact CD1-CG2 4.12Å; I62-V67 HydrophobicContact CG1-CG1 3.95Å; I62-V67 HydrophobicContact CG1-CG2 4.02Å; V67-M70 HydrophobicContact CB-SD 3.92Å; V67-M70 HydrophobicContact CG1-SD 3.95Å; V67-M70 WeakPolarHBondContact O-CB 3.22Å; V67-M70 WeakPolarHBondContact O-CG 3.46Å; V67-M70 PolarHBondContact O-N 2.8Å; V67-V75 HydrophobicContact CB-CG2 4.27Å; V67-V78 HydrophobicContact CG1-CG1 4.12Å
68	L	92.6	Very high	91	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.016	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	136.3	175.9	-55	165.9	0	0	0	110	F42 I58 I59 L60 M70 L118 I122 N125	F42-L68 HydrophobicContact CD1-CB 4.29Å; F42-L68 HydrophobicContact CD1-CD2 3.43Å; F42-L68 VanDerWaalsContact CD1-CD2 3.43Å; F42-L68 HydrophobicContact CD1-CG 4.41Å; F42-L68 HydrophobicContact CE1-CB 4.26Å; F42-L68 HydrophobicContact CE1-CD2 3.87Å; F42-L68 HydrophobicContact CG-CD2 4.42Å; I58-L68 HydrophobicContact CG2-CD2 3.91Å; I59-L68 WeakPolarHBondContact O-CD2 3.4Å; L60-L68 HydrophobicContact CD2-CD1 3.85Å; L60-L68 HydrophobicContact CD2-CD2 4.1Å; L60-L68 HydrophobicContact CD2-CG 4.46Å; L68-M70 VanDerWaalsContact C-N 3.29Å; L68-M70 PolarHBondContact O-N 2.84Å; L68-L118 HydrophobicContact CD1-CD1 3.54Å; L68-L118 HydrophobicContact CD1-CD2 3.99Å; L68-L118 HydrophobicContact CD1-CG 3.85Å; L68-I122 HydrophobicContact CB-CG1 3.79Å; L68-N125 VanDerWaalsContact O-CB 3.27Å; L68-N125 WeakPolarHBondContact O-CB 3.43Å; L68-N125 PolarHBondContact O-ND2 2.82Å
69	G	88.8	Confident	90.7	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.01	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	-1.9	-175.5	0	0	0	0	0	115.3	A37 L126	A37-G69 WeakPolarHBondContact CB-O 3.48Å; G69-L126 WeakPolarHBondContact O-CD2 3.49Å
70	M	90.6	Very high	90.4	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.02	13%	0.126	C	C	.	.			trans	-82.6	159.9	170.8	-61.1	-179.7	63.7	0	0	111.7	A37 V67 L68 D74 V75 V78 N125 H197	A37-M70 WeakPolarHBondContact CB-O 3.46Å; A37-M70 PolarHBondContact N-O 3.39Å; V67-M70 HydrophobicContact CB-SD 3.92Å; V67-M70 HydrophobicContact CG1-SD 3.95Å; V67-M70 WeakPolarHBondContact O-CB 3.22Å; V67-M70 WeakPolarHBondContact O-CG 3.46Å; V67-M70 PolarHBondContact O-N 2.8Å; L68-M70 VanDerWaalsContact C-N 3.29Å; L68-M70 PolarHBondContact O-N 2.84Å; M70-D74 HydrophobicContact CB-CB 4.32Å; M70-D74 HydrophobicContact CE-CB 3.45Å; M70-D74 VanDerWaalsContact CE-CB 3.45Å; M70-V75 HydrophobicContact CB-CG2 3.7Å; M70-V78 HydrophobicContact CE-CG2 3.64Å; M70-N125 HydrophobicContact CG-CB 3.92Å; M70-H197 WeakPolarHBondContact CE-CE1 3.2Å; M70-H197 WeakPolarHBondContact CE-ND1 3.17Å; M70-H197 VanDerWaalsContact CG-NE2 3.28Å; M70-H197 WeakPolarHBondContact CG-NE2 3.32Å; M70-H197 PolarHBondContact SD-CE1 2.67Å; M70-H197 PolarHBondContact SD-ND1 3.4Å; M70-H197 PolarHBondContact SD-NE2 2.82Å
71	T	90.5	Very high	90.1	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.012	14%	0.139	C	C	.	.			trans	-74.3	159.9	173.4	69.2	0	0	0	0	111.8	D38 G73 D74 V75 R129 P182 I185	D38-T71 HydrophobicContact CB-CG2 4.36Å; D38-T71 WeakPolarHBondContact OD1-CA 3.36Å; D38-T71 WeakPolarHBondContact OD1-CB 3.45Å; T71-G73 PolarHBondContact O-N 2.97Å; T71-D74 PolarHBondContact O-N 3.06Å; T71-D74 VanDerWaalsContact O-N 3.17Å; T71-D74 WeakPolarHBondContact OG1-CB 3.49Å; T71-D74 PolarHBondContact OG1-N 3Å; T71-D74 VanDerWaalsContact OG1-N 3.1Å; T71-D74 PolarHBondContact OG1-OD2 2.56Å; T71-V75 VanDerWaalsContact O-CG2 3.32Å; T71-V75 WeakPolarHBondContact O-CG2 3.32Å; T71-V75 PolarHBondContact O-N 2.77Å; T71-R129 HydrophobicContact CG2-CB 4.38Å; T71-R129 HydrophobicContact CG2-CG 4.13Å; T71-P182 HydrophobicContact CG2-CB 3.73Å; T71-P182 HydrophobicContact CG2-CG 4.4Å; T71-I185 HydrophobicContact CG2-CD1 4.17Å; T71-I185 HydrophobicContact CG2-CG1 4.29Å; T71-I185 WeakPolarHBondContact OG1-CD1 3.34Å
72	L	90.7	Very high	89.8	Confident	12 Å²	12	20.9 Å²	20.9	6%	0.063	13%	0.129	C	C	.	.	H	α-helix	trans	-56.5	-39.4	175.3	-175.8	51.6	0	0	0	112.8	V33 G35 D38 Y39 R76	V33-L72 HydrophobicContact CG1-CD1 4.21Å; G35-L72 WeakPolarHBondContact O-CB 3.3Å; G35-L72 WeakPolarHBondContact O-CD1 3.3Å; D38-L72 PolarHBondContact OD1-N 3.32Å; Y39-L72 HydrophobicContact CD2-CB 4.31Å; Y39-L72 HydrophobicContact CD2-CD2 4.4Å; Y39-L72 HydrophobicContact CE2-CB 3.83Å; Y39-L72 HydrophobicContact CE2-CD2 3.57Å; Y39-L72 HydrophobicContact CE2-CG 4.36Å; L72-R76 HydrophobicContact CD1-CG 4.44Å; L72-R76 VanDerWaalsContact O-CG 3.3Å; L72-R76 WeakPolarHBondContact O-CG 3.38Å; L72-R76 PolarHBondContact O-N 3.35Å; L72-R76 VanDerWaalsContact O-N 3.15Å
73	G	88.3	Confident	89.4	Confident	20 Å²	20	24.9 Å²	24.9	21%	0.206	16%	0.155	C	C	.	.	H	α-helix	trans	-62	-47.1	176.4	0	0	0	0	0	112	T71 R76 G77 P191	T71-G73 PolarHBondContact O-N 2.97Å; G73-R76 PolarHBondContact O-N 2.8Å; G73-G77 PolarHBondContact O-N 3.04Å; G73-P191 WeakPolarHBondContact O-CB 3.34Å
74	D	90.3	Very high	89	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.011	16%	0.163	C	C	.	.	H	α-helix	trans	-70	-37.2	-179.7	-63.5	-45.8	0	0	0	113	M70 T71 R76 G77 V78 R129 I185 I192	M70-D74 HydrophobicContact CB-CB 4.32Å; M70-D74 HydrophobicContact CE-CB 3.45Å; M70-D74 VanDerWaalsContact CE-CB 3.45Å; T71-D74 PolarHBondContact O-N 3.06Å; T71-D74 VanDerWaalsContact O-N 3.17Å; T71-D74 WeakPolarHBondContact OG1-CB 3.49Å; T71-D74 PolarHBondContact OG1-N 3Å; T71-D74 VanDerWaalsContact OG1-N 3.1Å; T71-D74 PolarHBondContact OG1-OD2 2.56Å; D74-R76 VanDerWaalsContact C-N 3.28Å; D74-R76 PolarHBondContact O-N 3.48Å; D74-G77 PolarHBondContact O-N 2.84Å; D74-V78 WeakPolarHBondContact O-CG2 3.48Å; D74-V78 PolarHBondContact O-N 2.99Å; D74-R129 IonicContact OD1-CZ 3.25Å; D74-R129 IonicContact OD1-NE 3.34Å; D74-R129 PolarHBondContact OD1-NE 3.07Å; D74-R129 IonicContact OD1-NH2 2.67Å; D74-R129 PolarHBondContact OD1-NH2 3.32Å; D74-R129 VanDerWaalsContact OD2-CG 3.27Å; D74-R129 WeakPolarHBondContact OD2-CG 3.29Å; D74-R129 IonicContact OD2-CZ 3.75Å; D74-R129 IonicContact OD2-NE 3.88Å; D74-R129 PolarHBondContact OD2-NE 2.94Å; D74-R129 IonicContact OD2-NH2 3.87Å; D74-I185 WeakPolarHBondContact OD1-CD1 3.4Å; D74-I185 WeakPolarHBondContact OD2-CD1 3.36Å; D74-I192 HydrophobicContact CB-CB 4.29Å; D74-I192 HydrophobicContact CB-CD1 4.49Å; D74-I192 WeakPolarHBondContact OD1-CG1 3.31Å; D74-I192 PolarHBondContact OD1-N 2.98Å
75	V	92.1	Very high	88.8	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.9	-38.8	175.2	178.6	0	0	0	0	110.5	V33 P43 I62 V67 M70 T71 L79	V33-V75 HydrophobicContact CG1-CG1 3.97Å; P43-V75 HydrophobicContact CB-CG1 4.06Å; P43-V75 HydrophobicContact CB-CG2 4.03Å; P43-V75 HydrophobicContact CG-CG2 4.23Å; I62-V75 HydrophobicContact CD1-CG1 3.89Å; V67-V75 HydrophobicContact CB-CG2 4.27Å; M70-V75 HydrophobicContact CB-CG2 3.7Å; T71-V75 VanDerWaalsContact O-CG2 3.32Å; T71-V75 WeakPolarHBondContact O-CG2 3.32Å; T71-V75 PolarHBondContact O-N 2.77Å; V75-L79 WeakPolarHBondContact O-CB 3.4Å; V75-L79 PolarHBondContact O-N 3.42Å
76	R	90.1	Very high	88.7	Confident	119 Å²	119	29.8 Å²	29.8	45%	0.449	17%	0.169	S	C	.	.	H	α-helix	trans	-68.1	-38.3	172.6	-70.6	171	178.7	-175.1	-0.5	112.3	V33 L72 G73 D74 L79 N80	V33-R76 PolarHBondContact O-NH2 2.87Å; L72-R76 HydrophobicContact CD1-CG 4.44Å; L72-R76 VanDerWaalsContact O-CG 3.3Å; L72-R76 WeakPolarHBondContact O-CG 3.38Å; L72-R76 PolarHBondContact O-N 3.35Å; L72-R76 VanDerWaalsContact O-N 3.15Å; G73-R76 PolarHBondContact O-N 2.8Å; D74-R76 VanDerWaalsContact C-N 3.28Å; D74-R76 PolarHBondContact O-N 3.48Å; R76-L79 PolarHBondContact O-N 2.83Å; R76-N80 WeakPolarHBondContact O-CB 3.27Å; R76-N80 VanDerWaalsContact O-CG 3.22Å; R76-N80 PolarHBondContact O-N 3.2Å; R76-N80 PolarHBondContact O-OD1 3.16Å
77	G	88.6	Confident	88.6	Confident	8 Å²	8	33 Å²	33	8%	0.082	18%	0.177	C	C	.	.	H	α-helix	trans	-59	-51	173.1	0	0	0	0	0	112.5	G73 D74 L79 S81 I192	G73-G77 PolarHBondContact O-N 3.04Å; D74-G77 PolarHBondContact O-N 2.84Å; G77-L79 PolarHBondContact O-N 2.93Å; G77-S81 WeakPolarHBondContact O-CB 3.36Å; G77-S81 PolarHBondContact O-N 2.92Å; G77-S81 VanDerWaalsContact O-N 3.12Å; G77-S81 PolarHBondContact O-OG 3.35Å; G77-I192 CarbonylContact C-O 3.58Å; G77-I192 VanDerWaalsContact C-O 3.32Å
78	V	90.7	Very high	88.6	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.5	-42	175.6	172.1	0	0	0	0	111.6	I62 V67 M70 D74 C82 I192 Y194 H197	I62-V78 HydrophobicContact CB-CG1 4.14Å; I62-V78 HydrophobicContact CG2-CG1 4.2Å; V67-V78 HydrophobicContact CG1-CG1 4.12Å; M70-V78 HydrophobicContact CE-CG2 3.64Å; D74-V78 WeakPolarHBondContact O-CG2 3.48Å; D74-V78 PolarHBondContact O-N 2.99Å; V78-C82 WeakPolarHBondContact O-CB 3.43Å; V78-C82 PolarHBondContact O-N 2.9Å; V78-C82 VanDerWaalsContact O-N 3.1Å; V78-I192 PolarHBondContact N-O 3.1Å; V78-I192 VanDerWaalsContact N-O 3.16Å; V78-Y194 HydrophobicContact CG1-CD2 4.07Å; V78-H197 HydrophobicContact CG2-CB 4.2Å
79	L	89.1	Confident	88.6	Confident	3 Å²	3	34.9 Å²	34.9	2%	0.016	19%	0.185	C	C	.	.	H	α-helix	trans	-63.2	-50.6	178.6	-175.7	59.5	0	0	0	112.1	L29 V33 I62 V75 R76 G77 S81 C82 I86 I88	L29-L79 HydrophobicContact CD2-CD1 3.43Å; L29-L79 VanDerWaalsContact CD2-CD1 3.43Å; L29-L79 HydrophobicContact CD2-CD2 3.89Å; L29-L79 HydrophobicContact CD2-CG 3.44Å; L29-L79 VanDerWaalsContact CD2-CG 3.44Å; V33-L79 HydrophobicContact CG2-CD2 3.67Å; I62-L79 HydrophobicContact CD1-CB 4.13Å; I62-L79 HydrophobicContact CD1-CD1 4.21Å; I62-L79 HydrophobicContact CG2-CD1 4.05Å; V75-L79 WeakPolarHBondContact O-CB 3.4Å; V75-L79 PolarHBondContact O-N 3.42Å; R76-L79 PolarHBondContact O-N 2.83Å; G77-L79 PolarHBondContact O-N 2.93Å; L79-S81 VanDerWaalsContact C-N 3.29Å; L79-S81 PolarHBondContact O-N 3.4Å; L79-C82 PolarHBondContact O-N 3.26Å; L79-I86 HydrophobicContact CD1-CD1 4.19Å; L79-I86 HydrophobicContact CD1-CG2 4.34Å; L79-I86 VanDerWaalsContact O-CD1 3.27Å; L79-I86 WeakPolarHBondContact O-CD1 3.08Å; L79-I88 HydrophobicContact CD1-CD1 3.7Å
80	N	87.1	Confident	88.9	Confident	119 Å²	119	34.8 Å²	34.8	64%	0.636	19%	0.185	S	C	*	.	H	α-helix	trans	-72.3	-19.9	-176.1	-66.8	-1.9	0	0	0	113.6	R76	R76-N80 WeakPolarHBondContact O-CB 3.27Å; R76-N80 VanDerWaalsContact O-CG 3.22Å; R76-N80 PolarHBondContact O-N 3.2Å; R76-N80 PolarHBondContact O-OD1 3.16Å
81	S	88.1	Confident	89	Confident	48 Å²	48	34.8 Å²	34.8	34%	0.336	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	5.4	179	61.7	0	0	0	0	114.2	G77 L79 T193 Y194	G77-S81 WeakPolarHBondContact O-CB 3.36Å; G77-S81 PolarHBondContact O-N 2.92Å; G77-S81 VanDerWaalsContact O-N 3.12Å; G77-S81 PolarHBondContact O-OG 3.35Å; L79-S81 VanDerWaalsContact C-N 3.29Å; L79-S81 PolarHBondContact O-N 3.4Å; S81-T193 VanDerWaalsContact OG-CA 3.3Å; S81-T193 WeakPolarHBondContact OG-CA 3.41Å; S81-T193 WeakPolarHBondContact OG-CB 3.48Å; S81-Y194 PolarHBondContact OG-N 2.88Å
82	C	86.7	Confident	89	Confident	5 Å²	5	37.4 Å²	37.4	3%	0.034	20%	0.203	C	C	.	.	S	Bend	trans	-72.6	135.7	173.8	-175.6	0	0	0	0	110.5	I62 V78 L79 H84 I86 Y194	I62-C82 HydrophobicContact CG2-CB 4.3Å; V78-C82 WeakPolarHBondContact O-CB 3.43Å; V78-C82 PolarHBondContact O-N 2.9Å; V78-C82 VanDerWaalsContact O-N 3.1Å; L79-C82 PolarHBondContact O-N 3.26Å; C82-H84 PolarHBondContact O-ND1 3.36Å; C82-I86 HydrophobicContact CB-CD1 3.9Å; C82-I86 HydrophobicContact CB-CG1 3.94Å; C82-I86 HydrophobicContact CB-CG2 4.21Å; C82-Y194 HydrophobicContact CB-CD2 4.18Å; C82-Y194 HydrophobicContact CB-CG 4.33Å
83	P	84.1	Confident	88.8	Confident	83 Å²	83	39.7 Å²	39.7	54%	0.539	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-60.6	145.8	170.5	26.2	-34.7	0	0	0	111.1	Y194	P83-Y194 HydrophobicContact CG-CE1 4.26Å
84	H	79.9	Confident	88.4	Confident	80 Å²	80	40.6 Å²	40.6	37%	0.37	23%	0.228	S	C	.	.	S	Bend	trans	-97.1	151.5	-176.7	-74.7	67.8	0	0	0	112	L22 L29 C82	L22-H84 WeakPolarHBondContact CD1-NE2 3.44Å; L29-H84 VanDerWaalsContact CD1-NE2 3.27Å; L29-H84 WeakPolarHBondContact CD1-NE2 3.45Å; C82-H84 PolarHBondContact O-ND1 3.36Å
85	P	82.8	Confident	87.3	Confident	84 Å²	84	45.4 Å²	45.4	55%	0.545	26%	0.262	S	S	.	.	S	Bend	cis	-69.9	136.9	-4.4	29.8	-35.2	0	0	0	112	F19 R87	F19-P85 HydrophobicContact CD1-CG 4.43Å; P85-R87 PolarHBondContact O-N 3.43Å
86	I	87.2	Confident	86.3	Confident	0 Å²	0	48 Å²	48	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	116.7	-174.5	-58.9	178.6	0	0	0	109	F19 V20 L29 I62 L79 C82 I88	F19-I86 WeakPolarHBondContact CA-O 3.2Å; V20-I86 HydrophobicContact CB-CB 4.38Å; V20-I86 PolarHBondContact N-O 3.09Å; V20-I86 PolarHBondContact O-N 2.92Å; L29-I86 HydrophobicContact CD1-CD1 3.93Å; L29-I86 HydrophobicContact CD2-CD1 3.92Å; I62-I86 HydrophobicContact CG2-CG2 3.81Å; L79-I86 HydrophobicContact CD1-CD1 4.19Å; L79-I86 HydrophobicContact CD1-CG2 4.34Å; L79-I86 VanDerWaalsContact O-CD1 3.27Å; L79-I86 WeakPolarHBondContact O-CD1 3.08Å; C82-I86 HydrophobicContact CB-CD1 3.9Å; C82-I86 HydrophobicContact CB-CG1 3.94Å; C82-I86 HydrophobicContact CB-CG2 4.21Å; I86-I88 HydrophobicContact CG2-CD1 4.07Å; I86-I88 HydrophobicContact CG2-CG1 3.63Å
87	R	89.9	Confident	86	Confident	99 Å²	99	42.5 Å²	42.5	37%	0.374	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	118.6	169.1	-175.9	-178	174.2	-174.7	2.9	110	D17 T18 F19 G63 P85	D17-R87 WeakPolarHBondContact OD1-CG 3.49Å; D17-R87 IonicContact OD1-CZ 3.61Å; D17-R87 IonicContact OD1-NE 3.48Å; D17-R87 PolarHBondContact OD1-NE 3.25Å; D17-R87 IonicContact OD1-NH2 3.76Å; D17-R87 IonicContact OD2-CZ 2.7Å; D17-R87 VanDerWaalsContact OD2-CZ 3.29Å; D17-R87 IonicContact OD2-NE 2.84Å; D17-R87 PolarHBondContact OD2-NE 2.9Å; D17-R87 VanDerWaalsContact OD2-NE 3.12Å; D17-R87 IonicContact OD2-NH2 3.74Å; D17-R87 PolarHBondContact OD2-NH2 3.22Å; T18-R87 CarbonylContact O-C 3.54Å; T18-R87 WeakPolarHBondContact O-CA 3.36Å; F19-R87 HydrophobicContact CD1-CB 4.03Å; F19-R87 HydrophobicContact CD1-CG 4.48Å; F19-R87 HydrophobicContact CE1-CB 3.74Å; F19-R87 HydrophobicContact CE1-CG 3.97Å; F19-R87 HydrophobicContact CE2-CG 4.48Å; F19-R87 HydrophobicContact CZ-CB 4.26Å; F19-R87 HydrophobicContact CZ-CG 3.97Å; G63-R87 PolarHBondContact N-O 2.64Å; P85-R87 PolarHBondContact O-N 3.43Å
88	I	92.3	Very high	85.8	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.1	177.2	-53.4	-171.8	0	0	0	108.9	T18 V20 V31 L53 I59 E61 I62 L79 I86 T90	T18-I88 PolarHBondContact N-O 3.34Å; T18-I88 PolarHBondContact O-N 3.28Å; V20-I88 HydrophobicContact CG2-CD1 3.83Å; V20-I88 HydrophobicContact CG2-CG1 4.14Å; V31-I88 HydrophobicContact CG1-CD1 4.47Å; L53-I88 HydrophobicContact CD1-CD1 4.29Å; I59-I88 HydrophobicContact CG2-CG2 3.79Å; E61-I88 WeakPolarHBondContact O-CA 3.43Å; I62-I88 HydrophobicContact CG1-CG2 4.49Å; L79-I88 HydrophobicContact CD1-CD1 3.7Å; I86-I88 HydrophobicContact CG2-CD1 4.07Å; I86-I88 HydrophobicContact CG2-CG1 3.63Å; I88-T90 HydrophobicContact CG2-CG2 3.88Å
89	K	93.6	Very high	85.6	Confident	42 Å²	42	45.9 Å²	45.9	18%	0.183	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	127.9	169.7	-69.7	179.4	-172.3	148.9	0	110.3	V15 Q16 D17 L60 E61	V15-K89 HydrophobicContact CG1-CB 4.13Å; V15-K89 HydrophobicContact CG1-CD 4.38Å; V15-K89 HydrophobicContact CG1-CG 4.41Å; Q16-K89 CarbonylContact O-C 3.38Å; Q16-K89 VanDerWaalsContact O-CA 3.26Å; Q16-K89 WeakPolarHBondContact O-CA 3.37Å; D17-K89 HydrophobicContact CB-CG 4.34Å; L60-K89 HydrophobicContact CB-CB 4.31Å; L60-K89 PolarHBondContact N-O 2.79Å; E61-K89 HydrophobicContact CB-CB 4.22Å; E61-K89 HydrophobicContact CB-CD 4.28Å; E61-K89 HydrophobicContact CB-CG 4.48Å; E61-K89 HydrophobicContact CG-CD 4.31Å; E61-K89 PolarHBondContact N-O 2.86Å; E61-K89 PolarHBondContact O-N 3.09Å; E61-K89 WeakPolarHBondContact OE1-CD 3.44Å; E61-K89 IonicContact OE1-NZ 3.62Å; E61-K89 PolarHBondContact OE1-NZ 2.92Å; E61-K89 IonicContact OE2-NZ 2.89Å; E61-K89 PolarHBondContact OE2-NZ 3.25Å
90	T	93.6	Very high	85.5	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	164.5	177	70.4	0	0	0	0	112	V15 Q16 V45 L53 D57 I58 I59 I88	V15-T90 CarbonylContact C-O 3.57Å; V15-T90 WeakPolarHBondContact CA-O 3.28Å; Q16-T90 PolarHBondContact N-O 3.29Å; Q16-T90 PolarHBondContact O-N 2.84Å; V45-T90 HydrophobicContact CG2-CG2 4.21Å; L53-T90 HydrophobicContact CD2-CG2 3.77Å; D57-T90 HydrophobicContact CB-CG2 4.47Å; D57-T90 PolarHBondContact OD2-OG1 3.33Å; I58-T90 CarbonylContact O-C 3.59Å; I58-T90 WeakPolarHBondContact O-CA 3.33Å; I58-T90 WeakPolarHBondContact O-CB 3.12Å; I59-T90 HydrophobicContact CG1-CG2 4.31Å; I88-T90 HydrophobicContact CG2-CG2 3.88Å
91	V	93.1	Very high	85.6	Confident	3 Å²	3	42.5 Å²	42.5	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	134.9	170.8	62.4	0	0	0	0	110	W11 N14 V15 I58 L60 L97	W11-V91 HydrophobicContact CB-CG2 4.41Å; N14-V91 HydrophobicContact CB-CG2 4.29Å; V15-V91 HydrophobicContact CG2-CB 4.31Å; V15-V91 HydrophobicContact CG2-CG2 4.48Å; I58-V91 HydrophobicContact CB-CG1 4.24Å; I58-V91 PolarHBondContact N-O 3.21Å; I58-V91 PolarHBondContact O-N 3.48Å; L60-V91 HydrophobicContact CD1-CB 4.12Å; L60-V91 HydrophobicContact CD1-CG1 3.82Å; L60-V91 HydrophobicContact CD2-CG1 3.82Å; L60-V91 HydrophobicContact CG-CG1 3.91Å; V91-L97 HydrophobicContact CG1-CD2 3.68Å
92	S	90.6	Very high	85.4	Confident	58 Å²	58	44.9 Å²	44.9	41%	0.406	26%	0.256	S	S	.	.			trans	-66.8	133.6	178.1	-50	0	0	0	0	111	D57 G94	D57-S92 WeakPolarHBondContact OD1-CA 3.44Å; D57-S92 VanDerWaalsContact OD1-CB 3.26Å; D57-S92 WeakPolarHBondContact OD1-CB 3.2Å; D57-S92 PolarHBondContact OD1-N 3Å; D57-S92 PolarHBondContact OD1-OG 3.1Å; S92-G94 PolarHBondContact O-N 3.04Å
93	P	86.7	Confident	85.2	Confident	60 Å²	60	49 Å²	49	39%	0.39	28%	0.277	S	S	.	.			trans	-62.5	136.1	-175.1	25.1	-34.9	0	0	0	111.6	I58 K99	I58-P93 HydrophobicContact CD1-CB 4.08Å; I58-P93 HydrophobicContact CG1-CB 4.45Å; P93-K99 HydrophobicContact CB-CG 4.12Å; P93-K99 HydrophobicContact CG-CG 4.44Å
94	G	80.7	Confident	85.2	Confident	39 Å²	39	45 Å²	45	40%	0.402	25%	0.252	S	S	.	.			trans	-142.9	-173.9	-174.4	0	0	0	0	0	113.8	S92 T96 L97 C98	S92-G94 PolarHBondContact O-N 3.04Å; G94-T96 VanDerWaalsContact C-N 3.29Å; G94-T96 PolarHBondContact O-N 3.35Å; G94-L97 PolarHBondContact N-O 3.43Å; G94-L97 CarbonylContact O-C 3.59Å; G94-C98 PolarHBondContact O-N 3.35Å
95	S	66.7	Low	85.4	Confident	103 Å²	103	41.3 Å²	41.3	72%	0.72	23%	0.234	S	C	*	.	S	Bend	trans	-64.8	-26.8	-174.8	60.7	0	0	0	0	114.9
96	T	70.8	Confident	85	Confident	54 Å²	54	40.9 Å²	40.9	33%	0.331	23%	0.233	S	C	.	.	S	Bend	trans	-85.9	-62.7	175.4	44.9	0	0	0	0	111	G94 K107	G94-T96 VanDerWaalsContact C-N 3.29Å; G94-T96 PolarHBondContact O-N 3.35Å; T96-K107 PolarHBondContact O-NZ 3.22Å
97	L	84.6	Confident	84.4	Confident	3 Å²	3	43.5 Å²	43.5	2%	0.016	25%	0.245	C	C	.	.	S	Bend	trans	-101	97	177.1	-172.8	69	0	0	0	110.2	W11 F42 I58 L60 V91 G94 Y104 L118	W11-L97 HydrophobicContact CB-CB 4.36Å; W11-L97 HydrophobicContact CD2-CD2 4.11Å; W11-L97 HydrophobicContact CE3-CD2 4.26Å; W11-L97 HydrophobicContact CG-CB 4.11Å; W11-L97 HydrophobicContact CG-CD2 4.34Å; F42-L97 HydrophobicContact CE1-CD1 4.26Å; F42-L97 HydrophobicContact CE2-CD1 3.81Å; F42-L97 HydrophobicContact CZ-CD1 3.62Å; I58-L97 HydrophobicContact CD1-CD2 4.41Å; I58-L97 HydrophobicContact CD1-CG 4.01Å; L60-L97 HydrophobicContact CD2-CD2 4.03Å; V91-L97 HydrophobicContact CG1-CD2 3.68Å; G94-L97 PolarHBondContact N-O 3.43Å; G94-L97 CarbonylContact O-C 3.59Å; L97-Y104 HydrophobicContact CB-CE2 4.44Å; L97-Y104 HydrophobicContact CD1-CD1 4.44Å; L97-Y104 HydrophobicContact CD1-CD2 3.73Å; L97-Y104 HydrophobicContact CD1-CE1 4.34Å; L97-Y104 HydrophobicContact CD1-CE2 3.63Å; L97-Y104 HydrophobicContact CD1-CG 4.14Å; L97-L118 HydrophobicContact CD1-CD2 3.98Å
98	C	83.4	Confident	83.4	Confident	24 Å²	24	41.9 Å²	41.9	16%	0.162	25%	0.248	C	C	.	.			trans	-95.2	169.4	177	50.1	0	0	0	0	111.2	F42 I58 G94	F42-C98 WeakPolarHBondContact CD2-O 3.4Å; F42-C98 VanDerWaalsContact CE2-O 3.31Å; F42-C98 WeakPolarHBondContact CE2-O 3.39Å; I58-C98 WeakPolarHBondContact CD1-O 3.25Å; G94-C98 PolarHBondContact O-N 3.35Å
99	K	86.8	Confident	82.5	Confident	55 Å²	55	43.9 Å²	43.9	24%	0.239	26%	0.256	C	S	.	.	S	Bend	trans	-68.7	-30.7	177.6	-72.3	-164.2	174.7	-166.7	0	114.7	E41 F42 F44 G56 I58 P93 L101	E41-K99 CarbonylContact C-O 3.59Å; E41-K99 WeakPolarHBondContact CA-O 3.4Å; F42-K99 WeakPolarHBondContact CD2-O 3.37Å; F42-K99 PolarHBondContact N-O 2.82Å; F44-K99 HydrophobicContact CD1-CD 3.96Å; F44-K99 HydrophobicContact CE1-CD 4.22Å; F44-K99 HydrophobicContact CG-CD 4.27Å; F44-K99 VanDerWaalsContact CG-NZ 3.27Å; G56-K99 WeakPolarHBondContact O-CE 3.19Å; G56-K99 PolarHBondContact O-NZ 2.73Å; I58-K99 HydrophobicContact CD1-CG 4.48Å; I58-K99 HydrophobicContact CG1-CG 4.32Å; P93-K99 HydrophobicContact CB-CG 4.12Å; P93-K99 HydrophobicContact CG-CG 4.44Å; K99-L101 PolarHBondContact O-N 3.38Å
100	D	87.1	Confident	81.3	Confident	51 Å²	51	46.9 Å²	46.9	27%	0.273	28%	0.278	S	S	.	.	B	Isolated β-bridge	trans	-69.9	119.9	176.2	-173.4	-39.9	0	0	0	109.6	R102 L103 Y104	D100-R102 WeakPolarHBondContact OD1-CA 3.42Å; D100-R102 WeakPolarHBondContact OD1-CB 3.1Å; D100-R102 PolarHBondContact OD1-N 3.29Å; D100-R102 IonicContact OD1-NE 3.09Å; D100-R102 IonicContact OD2-NH2 2.74Å; D100-L103 HydrophobicContact CB-CB 3.86Å; D100-L103 PolarHBondContact OD1-N 3.25Å; D100-Y104 PolarHBondContact O-N 3Å
101	L	89	Confident	80	Confident	0 Å²	0	52 Å²	52	0%	0	31%	0.312	C	S	.	.	S	Bend	trans	-75.1	-36.5	-178.1	-177.6	60.7	0	0	0	111.6	A37 G40 F42 K99 Y104 L105 I122 L167	A37-L101 HydrophobicContact CB-CD2 4.07Å; G40-L101 VanDerWaalsContact O-CB 3.29Å; G40-L101 WeakPolarHBondContact O-CB 3.29Å; G40-L101 PolarHBondContact O-N 2.8Å; F42-L101 HydrophobicContact CD1-CD1 3.81Å; F42-L101 HydrophobicContact CD2-CB 4.47Å; F42-L101 HydrophobicContact CD2-CD1 4.27Å; F42-L101 HydrophobicContact CE1-CD1 3.4Å; F42-L101 VanDerWaalsContact CE1-CD1 3.4Å; F42-L101 HydrophobicContact CE2-CD1 3.9Å; F42-L101 HydrophobicContact CG-CD1 4.26Å; F42-L101 HydrophobicContact CZ-CD1 3.46Å; F42-L101 VanDerWaalsContact CZ-CD1 3.46Å; K99-L101 PolarHBondContact O-N 3.38Å; L101-Y104 PolarHBondContact O-N 3.43Å; L101-Y104 VanDerWaalsContact O-N 3.13Å; L101-L105 HydrophobicContact CD1-CD1 4.48Å; L101-L105 HydrophobicContact CG-CD1 4.11Å; L101-L105 WeakPolarHBondContact O-CG 3.46Å; L101-L105 PolarHBondContact O-N 2.8Å; L101-I122 HydrophobicContact CD1-CD1 4.1Å; L101-I122 HydrophobicContact CD1-CG1 4.48Å; L101-I122 HydrophobicContact CD1-CG2 3.87Å; L101-L167 HydrophobicContact CD2-CD1 4.32Å
102	R	84.6	Confident	78.7	Confident	99 Å²	99	54.4 Å²	54.4	37%	0.374	34%	0.337	S	S	.	.	H	α-helix	trans	-68.8	-42.5	-179.5	-54.7	174.9	-67.9	-176.8	0.5	110	D100 Y104 L105 S106 L167	D100-R102 WeakPolarHBondContact OD1-CA 3.42Å; D100-R102 WeakPolarHBondContact OD1-CB 3.1Å; D100-R102 PolarHBondContact OD1-N 3.29Å; D100-R102 IonicContact OD1-NE 3.09Å; D100-R102 IonicContact OD2-NH2 2.74Å; R102-Y104 PolarHBondContact O-N 3.34Å; R102-L105 PolarHBondContact O-N 3.03Å; R102-S106 WeakPolarHBondContact O-CB 3.45Å; R102-S106 PolarHBondContact O-N 2.9Å; R102-S106 PolarHBondContact O-OG 3.22Å; R102-L167 HydrophobicContact CG-CB 4.42Å; R102-L167 HydrophobicContact CG-CD2 3.67Å
103	L	82.4	Confident	78	Confident	91 Å²	91	53 Å²	53	48%	0.476	33%	0.327	S	S	.	.	H	α-helix	trans	-64.4	-18.2	172.1	-174.4	56.8	0	0	0	113.1	D100 S106 K107	D100-L103 HydrophobicContact CB-CB 3.86Å; D100-L103 PolarHBondContact OD1-N 3.25Å; L103-S106 WeakPolarHBondContact CA-OG 3.33Å; L103-K107 WeakPolarHBondContact O-CD 3.3Å; L103-K107 WeakPolarHBondContact O-CE 3.34Å; L103-K107 WeakPolarHBondContact O-CG 3.46Å
104	Y	84.4	Confident	77.7	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-91.9	-37.3	172	-171.1	-95.6	0	0	0	113.2	F42 L97 D100 L101 R102 K107 F109 D115 L118 Q119 I122	F42-Y104 HydrophobicContact CE2-CD1 4.42Å; F42-Y104 HydrophobicContact CE2-CG 4.06Å; F42-Y104 AromaticContact CZ-CD1 3.7Å; F42-Y104 HydrophobicContact CZ-CD1 3.7Å; F42-Y104 HydrophobicContact CZ-CE1 4.41Å; F42-Y104 AromaticContact CZ-CG 3.8Å; F42-Y104 HydrophobicContact CZ-CG 3.8Å; L97-Y104 HydrophobicContact CB-CE2 4.44Å; L97-Y104 HydrophobicContact CD1-CD1 4.44Å; L97-Y104 HydrophobicContact CD1-CD2 3.73Å; L97-Y104 HydrophobicContact CD1-CE1 4.34Å; L97-Y104 HydrophobicContact CD1-CE2 3.63Å; L97-Y104 HydrophobicContact CD1-CG 4.14Å; D100-Y104 PolarHBondContact O-N 3Å; L101-Y104 PolarHBondContact O-N 3.43Å; L101-Y104 VanDerWaalsContact O-N 3.13Å; R102-Y104 PolarHBondContact O-N 3.34Å; Y104-K107 HydrophobicContact CD2-CD 4.47Å; Y104-K107 PolarHBondContact O-N 3.11Å; Y104-F109 HydrophobicContact CD2-CE2 4.46Å; Y104-F109 HydrophobicContact CD2-CZ 4.27Å; Y104-F109 HydrophobicContact CE1-CE2 4.46Å; Y104-F109 HydrophobicContact CE2-CE2 4.02Å; Y104-F109 AromaticContact CE2-CZ 3.73Å; Y104-F109 HydrophobicContact CE2-CZ 3.73Å; Y104-D115 VanDerWaalsContact OH-CA 3.28Å; Y104-D115 WeakPolarHBondContact OH-CA 3.48Å; Y104-D115 VanDerWaalsContact OH-CB 3.24Å; Y104-D115 WeakPolarHBondContact OH-CB 3.31Å; Y104-D115 PolarHBondContact OH-OD1 3.24Å; Y104-L118 HydrophobicContact CE1-CB 4.32Å; Y104-L118 HydrophobicContact CE1-CD2 3.94Å; Y104-L118 HydrophobicContact CE1-CG 4.49Å; Y104-L118 WeakPolarHBondContact OH-CD2 3.41Å; Y104-Q119 HydrophobicContact CD1-CG 4.06Å; Y104-Q119 HydrophobicContact CE1-CG 3.68Å; Y104-Q119 PolarHBondContact O-NE2 3.07Å; Y104-I122 HydrophobicContact CD1-CD1 3.91Å; Y104-I122 HydrophobicContact CE1-CD1 3.97Å
105	L	83	Confident	77.8	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-68.8	-35.8	176.5	-73.9	170.7	0	0	0	112.8	L101 R102 K107 Q119 I122 L126 L167 E168	L101-L105 HydrophobicContact CD1-CD1 4.48Å; L101-L105 HydrophobicContact CG-CD1 4.11Å; L101-L105 WeakPolarHBondContact O-CG 3.46Å; L101-L105 PolarHBondContact O-N 2.8Å; R102-L105 PolarHBondContact O-N 3.03Å; L105-K107 VanDerWaalsContact C-N 3.25Å; L105-K107 PolarHBondContact O-N 2.88Å; L105-Q119 HydrophobicContact CD2-CB 4.39Å; L105-Q119 HydrophobicContact CD2-CG 4.37Å; L105-Q119 PolarHBondContact O-NE2 2.99Å; L105-I122 HydrophobicContact CD1-CG2 4.26Å; L105-I122 HydrophobicContact CD2-CB 4.47Å; L105-I122 HydrophobicContact CD2-CG2 3.9Å; L105-I122 HydrophobicContact CG-CG2 4.39Å; L105-L126 HydrophobicContact CD1-CD1 4.29Å; L105-L167 HydrophobicContact CD1-CB 4.13Å; L105-E168 HydrophobicContact CB-CB 4.21Å; L105-E168 HydrophobicContact CD1-CG 4.47Å
106	S	75.3	Confident	78.3	Confident	75 Å²	75	47.1 Å²	47.1	52%	0.524	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-12.9	174.2	51.2	0	0	0	0	114.9	R102 L103	R102-S106 WeakPolarHBondContact O-CB 3.45Å; R102-S106 PolarHBondContact O-N 2.9Å; R102-S106 PolarHBondContact O-OG 3.22Å; L103-S106 WeakPolarHBondContact CA-OG 3.33Å
107	K	73.4	Confident	78.7	Confident	55 Å²	55	49 Å²	49	24%	0.239	28%	0.284	C	S	.	.	S	Bend	trans	-75.9	126.8	176.2	-75.5	167.5	-173.9	169.8	0	110.4	T96 L103 Y104 L105 F109 Q119	T96-K107 PolarHBondContact O-NZ 3.22Å; L103-K107 WeakPolarHBondContact O-CD 3.3Å; L103-K107 WeakPolarHBondContact O-CE 3.34Å; L103-K107 WeakPolarHBondContact O-CG 3.46Å; Y104-K107 HydrophobicContact CD2-CD 4.47Å; Y104-K107 PolarHBondContact O-N 3.11Å; L105-K107 VanDerWaalsContact C-N 3.25Å; L105-K107 PolarHBondContact O-N 2.88Å; K107-F109 HydrophobicContact CB-CD2 4.14Å; K107-F109 HydrophobicContact CB-CE1 4.44Å; K107-F109 HydrophobicContact CB-CE2 3.42Å; K107-F109 VanDerWaalsContact CB-CE2 3.42Å; K107-F109 HydrophobicContact CB-CZ 3.61Å; K107-F109 HydrophobicContact CD-CE2 4.43Å; K107-F109 HydrophobicContact CD-CZ 3.9Å; K107-F109 HydrophobicContact CG-CZ 4.37Å; K107-F109 WeakPolarHBondContact O-CD2 3.42Å; K107-Q119 PolarHBondContact O-NE2 3.22Å
108	C	68.7	Low	78.7	Confident	65 Å²	65	49.8 Å²	49.8	44%	0.439	29%	0.288	S	S	.	.			trans	-81.7	117.8	172.4	-60.4	0	0	0	0	109.8	S1084	C108-S1084 WeakPolarHBondContact SG-CB 3.4Å
109	F	74.1	Confident	78.7	Confident	43 Å²	43	48.7 Å²	48.7	19%	0.189	28%	0.28	C	S	.	.			trans	-113.5	158.2	174.5	-60.2	-81.5	0	0	0	110.6	Y104 K107 D115 Q119	Y104-F109 HydrophobicContact CD2-CE2 4.46Å; Y104-F109 HydrophobicContact CD2-CZ 4.27Å; Y104-F109 HydrophobicContact CE1-CE2 4.46Å; Y104-F109 HydrophobicContact CE2-CE2 4.02Å; Y104-F109 AromaticContact CE2-CZ 3.73Å; Y104-F109 HydrophobicContact CE2-CZ 3.73Å; K107-F109 HydrophobicContact CB-CD2 4.14Å; K107-F109 HydrophobicContact CB-CE1 4.44Å; K107-F109 HydrophobicContact CB-CE2 3.42Å; K107-F109 VanDerWaalsContact CB-CE2 3.42Å; K107-F109 HydrophobicContact CB-CZ 3.61Å; K107-F109 HydrophobicContact CD-CE2 4.43Å; K107-F109 HydrophobicContact CD-CZ 3.9Å; K107-F109 HydrophobicContact CG-CZ 4.37Å; K107-F109 WeakPolarHBondContact O-CD2 3.42Å; F109-D115 HydrophobicContact CB-CB 4.04Å; F109-D115 HydrophobicContact CD1-CB 3.33Å; F109-D115 HydrophobicContact CD2-CB 3.58Å; F109-D115 HydrophobicContact CE1-CB 3.47Å; F109-D115 VanDerWaalsContact CE1-CB 3.47Å; F109-D115 VanDerWaalsContact CE1-CG 3.49Å; F109-D115 HydrophobicContact CE2-CB 3.71Å; F109-D115 HydrophobicContact CG-CB 3.38Å; F109-D115 HydrophobicContact CZ-CB 3.65Å; F109-Q119 HydrophobicContact CD2-CG 4.47Å
110	T	69.3	Low	78.3	Confident	105 Å²	105	48.9 Å²	48.9	64%	0.644	28%	0.282	S	S	*	.			trans	-65.5	136	177.9	45.4	0	0	0	0	110.9	G112 S113 S116	T110-G112 PolarHBondContact O-N 3.36Å; T110-S113 WeakPolarHBondContact O-CB 3.2Å; T110-S113 PolarHBondContact O-N 2.87Å; T110-S113 PolarHBondContact O-OG 3.28Å; T110-S113 WeakPolarHBondContact OG1-CB 3.4Å; T110-S116 WeakPolarHBondContact O-CB 3.48Å
111	P	65.6	Low	78.3	Confident	108 Å²	108	47.9 Å²	47.9	70%	0.701	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	135.2	-179.9	-29	36.3	0	0	0	112.6	S113	P111-S113 PolarHBondContact O-N 2.92Å
112	G	66.6	Low	78.2	Confident	53 Å²	53	47.9 Å²	47.9	55%	0.546	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.3	-4.9	-177.9	0	0	0	0	0	115.2	T110 S116 Q117	T110-G112 PolarHBondContact O-N 3.36Å; G112-S116 PolarHBondContact N-OG 3Å; G112-Q117 PolarHBondContact O-NE2 2.93Å
113	S	74.9	Confident	78.1	Confident	28 Å²	28	43.4 Å²	43.4	20%	0.196	26%	0.261	C	S	.	.	S	Bend	trans	-62.7	165.9	170	67.1	0	0	0	0	112.5	T110 P111 D115 S116 Q117	T110-S113 WeakPolarHBondContact O-CB 3.2Å; T110-S113 PolarHBondContact O-N 2.87Å; T110-S113 PolarHBondContact O-OG 3.28Å; T110-S113 WeakPolarHBondContact OG1-CB 3.4Å; P111-S113 PolarHBondContact O-N 2.92Å; S113-D115 VanDerWaalsContact C-N 3.31Å; S113-D115 PolarHBondContact O-N 3.47Å; S113-S116 PolarHBondContact O-N 3.01Å; S113-S116 VanDerWaalsContact OG-CB 3.32Å; S113-S116 WeakPolarHBondContact OG-CB 3.19Å; S113-S116 PolarHBondContact OG-N 3.28Å; S113-Q117 VanDerWaalsContact O-CG 3.28Å; S113-Q117 WeakPolarHBondContact O-CG 3.44Å; S113-Q117 PolarHBondContact O-N 3.3Å
114	V	80.4	Confident	78.1	Confident	37 Å²	37	40.7 Å²	40.7	22%	0.224	25%	0.246	C	C	.	.	H	α-helix	trans	-56	-44.3	177.8	168.9	0	0	0	0	112.6	H10 W11 R12 Q117 L118	H10-V114 WeakPolarHBondContact CE1-CG1 3.44Å; W11-V114 HydrophobicContact CH2-CG1 4.29Å; W11-V114 HydrophobicContact CZ2-CG1 3.6Å; R12-V114 HydrophobicContact CG-CG1 3.95Å; R12-V114 VanDerWaalsContact CZ-CG1 3.48Å; V114-Q117 PolarHBondContact O-N 3.47Å; V114-L118 PolarHBondContact O-N 2.87Å
115	D	82.6	Confident	78.2	Confident	14 Å²	14	40.8 Å²	40.8	8%	0.075	25%	0.246	C	C	.	.	H	α-helix	trans	-73.2	-38.5	-179.6	-65.8	-69.1	0	0	0	111.9	H10 W11 Y104 F109 S113 Q117 L118 Q119	H10-D115 IonicContact NE2-OD2 3.89Å; H10-D115 PolarHBondContact NE2-OD2 2.86Å; W11-D115 PolarHBondContact NE1-OD1 2.9Å; Y104-D115 VanDerWaalsContact OH-CA 3.28Å; Y104-D115 WeakPolarHBondContact OH-CA 3.48Å; Y104-D115 VanDerWaalsContact OH-CB 3.24Å; Y104-D115 WeakPolarHBondContact OH-CB 3.31Å; Y104-D115 PolarHBondContact OH-OD1 3.24Å; F109-D115 HydrophobicContact CB-CB 4.04Å; F109-D115 HydrophobicContact CD1-CB 3.33Å; F109-D115 HydrophobicContact CD2-CB 3.58Å; F109-D115 HydrophobicContact CE1-CB 3.47Å; F109-D115 VanDerWaalsContact CE1-CB 3.47Å; F109-D115 VanDerWaalsContact CE1-CG 3.49Å; F109-D115 HydrophobicContact CE2-CB 3.71Å; F109-D115 HydrophobicContact CG-CB 3.38Å; F109-D115 HydrophobicContact CZ-CB 3.65Å; S113-D115 VanDerWaalsContact C-N 3.31Å; S113-D115 PolarHBondContact O-N 3.47Å; D115-Q117 VanDerWaalsContact C-N 3.32Å; D115-Q117 PolarHBondContact O-N 2.91Å; D115-L118 WeakPolarHBondContact O-CB 3.41Å; D115-L118 PolarHBondContact O-N 3.26Å; D115-Q119 WeakPolarHBondContact O-CG 3.33Å; D115-Q119 PolarHBondContact O-N 3.42Å
116	S	76.7	Confident	78.3	Confident	28 Å²	28	40.7 Å²	40.7	20%	0.196	25%	0.246	C	C	.	.	H	α-helix	trans	-59	-41.7	171.7	171	0	0	0	0	111.8	T110 G112 S113 L118 Q120	T110-S116 WeakPolarHBondContact O-CB 3.48Å; G112-S116 PolarHBondContact N-OG 3Å; S113-S116 PolarHBondContact O-N 3.01Å; S113-S116 VanDerWaalsContact OG-CB 3.32Å; S113-S116 WeakPolarHBondContact OG-CB 3.19Å; S113-S116 PolarHBondContact OG-N 3.28Å; S116-L118 VanDerWaalsContact C-N 3.34Å; S116-L118 PolarHBondContact O-N 2.93Å; S116-Q120 PolarHBondContact O-N 2.89Å; S116-Q120 VanDerWaalsContact O-N 3.13Å
117	Q	79.3	Confident	78.4	Confident	95 Å²	95	38.4 Å²	38.4	44%	0.444	23%	0.226	S	C	.	.	H	α-helix	trans	-63.4	-37.5	171.9	-68.3	167.5	20.5	0	0	112.2	G112 S113 V114 D115 Q120 V121	G112-Q117 PolarHBondContact O-NE2 2.93Å; S113-Q117 VanDerWaalsContact O-CG 3.28Å; S113-Q117 WeakPolarHBondContact O-CG 3.44Å; S113-Q117 PolarHBondContact O-N 3.3Å; V114-Q117 PolarHBondContact O-N 3.47Å; D115-Q117 VanDerWaalsContact C-N 3.32Å; D115-Q117 PolarHBondContact O-N 2.91Å; Q117-Q120 PolarHBondContact O-N 2.75Å; Q117-V121 WeakPolarHBondContact O-CG2 3.3Å; Q117-V121 PolarHBondContact O-N 3.38Å; Q117-V121 VanDerWaalsContact O-N 3.13Å
118	L	85.4	Confident	78.6	Confident	19 Å²	19	37.3 Å²	37.3	10%	0.099	22%	0.223	C	C	.	.	H	α-helix	trans	-68.9	-43	179.3	-157.1	74.7	0	0	0	111.7	W11 L68 L97 Y104 V114 D115 S116 Q120 V121 I122	W11-L118 HydrophobicContact CH2-CD1 3.92Å; W11-L118 HydrophobicContact CH2-CD2 4.11Å; W11-L118 HydrophobicContact CZ2-CB 4.49Å; W11-L118 HydrophobicContact CZ2-CD1 4.14Å; W11-L118 HydrophobicContact CZ2-CD2 3.72Å; W11-L118 HydrophobicContact CZ2-CG 4.34Å; L68-L118 HydrophobicContact CD1-CD1 3.54Å; L68-L118 HydrophobicContact CD1-CD2 3.99Å; L68-L118 HydrophobicContact CD1-CG 3.85Å; L97-L118 HydrophobicContact CD1-CD2 3.98Å; Y104-L118 HydrophobicContact CE1-CB 4.32Å; Y104-L118 HydrophobicContact CE1-CD2 3.94Å; Y104-L118 HydrophobicContact CE1-CG 4.49Å; Y104-L118 WeakPolarHBondContact OH-CD2 3.41Å; V114-L118 PolarHBondContact O-N 2.87Å; D115-L118 WeakPolarHBondContact O-CB 3.41Å; D115-L118 PolarHBondContact O-N 3.26Å; S116-L118 VanDerWaalsContact C-N 3.34Å; S116-L118 PolarHBondContact O-N 2.93Å; L118-Q120 VanDerWaalsContact C-N 3.28Å; L118-Q120 PolarHBondContact O-N 2.69Å; L118-V121 PolarHBondContact O-N 2.91Å; L118-I122 HydrophobicContact CG-CD1 4.39Å; L118-I122 WeakPolarHBondContact O-CD1 3.46Å; L118-I122 VanDerWaalsContact O-CG1 3.28Å; L118-I122 WeakPolarHBondContact O-CG1 3.23Å; L118-I122 PolarHBondContact O-N 2.92Å
119	Q	83.1	Confident	78.8	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-59.9	-38.1	173.7	-68.5	177.2	-36.3	0	0	112.1	Y104 L105 K107 F109 D115 I122 R123	Y104-Q119 HydrophobicContact CD1-CG 4.06Å; Y104-Q119 HydrophobicContact CE1-CG 3.68Å; Y104-Q119 PolarHBondContact O-NE2 3.07Å; L105-Q119 HydrophobicContact CD2-CB 4.39Å; L105-Q119 HydrophobicContact CD2-CG 4.37Å; L105-Q119 PolarHBondContact O-NE2 2.99Å; K107-Q119 PolarHBondContact O-NE2 3.22Å; F109-Q119 HydrophobicContact CD2-CG 4.47Å; D115-Q119 WeakPolarHBondContact O-CG 3.33Å; D115-Q119 PolarHBondContact O-N 3.42Å; Q119-I122 PolarHBondContact O-N 2.84Å; Q119-R123 WeakPolarHBondContact O-CG 3.29Å; Q119-R123 PolarHBondContact O-N 2.67Å
120	Q	79.2	Confident	78.4	Confident	58 Å²	58	36.7 Å²	36.7	27%	0.271	21%	0.212	S	C	.	.	H	α-helix	trans	-62.3	-44.8	173.3	-178.4	59.5	28.3	0	0	112.1	S116 Q117 L118 I122 R123 E124 M1090	S116-Q120 PolarHBondContact O-N 2.89Å; S116-Q120 VanDerWaalsContact O-N 3.13Å; Q117-Q120 PolarHBondContact O-N 2.75Å; L118-Q120 VanDerWaalsContact C-N 3.28Å; L118-Q120 PolarHBondContact O-N 2.69Å; Q120-I122 VanDerWaalsContact C-N 3.34Å; Q120-I122 PolarHBondContact O-N 2.77Å; Q120-R123 PolarHBondContact O-N 3.17Å; Q120-E124 PolarHBondContact O-N 3.32Å; Q120-M1090 PolarHBondContact NE2-SD 2.95Å
121	V	85.6	Confident	78	Confident	30 Å²	30	33.3 Å²	33.3	18%	0.182	19%	0.192	C	C	.	.	H	α-helix	trans	-64.4	-37.8	176.6	171.4	0	0	0	0	112	P66 Q117 L118 R123 E124 N125	P66-V121 HydrophobicContact CB-CG1 3.7Å; P66-V121 HydrophobicContact CG-CG1 3.9Å; Q117-V121 WeakPolarHBondContact O-CG2 3.3Å; Q117-V121 PolarHBondContact O-N 3.38Å; Q117-V121 VanDerWaalsContact O-N 3.13Å; L118-V121 PolarHBondContact O-N 2.91Å; V121-R123 VanDerWaalsContact C-N 3.35Å; V121-E124 PolarHBondContact O-N 2.77Å; V121-N125 PolarHBondContact O-N 3.32Å; V121-N125 VanDerWaalsContact O-N 3.11Å
122	I	88	Confident	77.5	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60	-45.6	173.6	-70.1	160.6	0	0	0	110.4	F42 L68 L101 Y104 L105 L118 Q119 Q120 N125 L126	F42-I122 HydrophobicContact CE1-CD1 3.57Å; F42-I122 HydrophobicContact CE1-CG1 4.22Å; F42-I122 HydrophobicContact CZ-CD1 3.84Å; L68-I122 HydrophobicContact CB-CG1 3.79Å; L101-I122 HydrophobicContact CD1-CD1 4.1Å; L101-I122 HydrophobicContact CD1-CG1 4.48Å; L101-I122 HydrophobicContact CD1-CG2 3.87Å; Y104-I122 HydrophobicContact CD1-CD1 3.91Å; Y104-I122 HydrophobicContact CE1-CD1 3.97Å; L105-I122 HydrophobicContact CD1-CG2 4.26Å; L105-I122 HydrophobicContact CD2-CB 4.47Å; L105-I122 HydrophobicContact CD2-CG2 3.9Å; L105-I122 HydrophobicContact CG-CG2 4.39Å; L118-I122 HydrophobicContact CG-CD1 4.39Å; L118-I122 WeakPolarHBondContact O-CD1 3.46Å; L118-I122 VanDerWaalsContact O-CG1 3.28Å; L118-I122 WeakPolarHBondContact O-CG1 3.23Å; L118-I122 PolarHBondContact O-N 2.92Å; Q119-I122 PolarHBondContact O-N 2.84Å; Q120-I122 VanDerWaalsContact C-N 3.34Å; Q120-I122 PolarHBondContact O-N 2.77Å; I122-N125 PolarHBondContact O-N 2.63Å; I122-L126 HydrophobicContact CG2-CD1 3.83Å; I122-L126 HydrophobicContact CG2-CG 4.38Å; I122-L126 VanDerWaalsContact O-CG 3.3Å; I122-L126 WeakPolarHBondContact O-CG 3.12Å; I122-L126 PolarHBondContact O-N 2.68Å
123	R	82.5	Confident	77.2	Confident	5 Å²	5	26.4 Å²	26.4	2%	0.019	14%	0.137	C	C	.	.	H	α-helix	trans	-66.9	-42.9	178	-69.4	178.9	-167.8	108.5	7.1	112.4	Q119 Q120 V121 N125 L126 Y127 E168 L1088	Q119-R123 WeakPolarHBondContact O-CG 3.29Å; Q119-R123 PolarHBondContact O-N 2.67Å; Q120-R123 PolarHBondContact O-N 3.17Å; V121-R123 VanDerWaalsContact C-N 3.35Å; R123-N125 PolarHBondContact O-N 3.07Å; R123-L126 PolarHBondContact O-N 3.2Å; R123-Y127 HydrophobicContact CB-CE2 3.81Å; R123-Y127 WeakPolarHBondContact O-CD2 3.48Å; R123-Y127 WeakPolarHBondContact O-CE2 3.44Å; R123-Y127 PolarHBondContact O-N 3.49Å; R123-Y127 VanDerWaalsContact O-N 3.16Å; R123-E168 WeakPolarHBondContact CD-OE1 3.43Å; R123-E168 IonicContact CZ-OE1 2.97Å; R123-E168 IonicContact CZ-OE2 2.67Å; R123-E168 VanDerWaalsContact CZ-OE2 3.25Å; R123-E168 VanDerWaalsContact NE-CD 3.35Å; R123-E168 IonicContact NE-OE1 3.23Å; R123-E168 PolarHBondContact NE-OE1 3.5Å; R123-E168 IonicContact NE-OE2 2.95Å; R123-E168 PolarHBondContact NE-OE2 2.89Å; R123-E168 IonicContact NH2-OE2 3.5Å; R123-E168 PolarHBondContact NH2-OE2 3.05Å; R123-L1088 PolarHBondContact NH1-O 2.67Å
124	E	81.9	Confident	76.8	Confident	34 Å²	34	25.2 Å²	25.2	16%	0.159	13%	0.129	C	C	.	.	H	α-helix	trans	-52.9	-38.7	172	-77.6	177.7	-155.5	0	0	112.2	Q120 V121 L201 R205	Q120-E124 PolarHBondContact O-N 3.32Å; V121-E124 PolarHBondContact O-N 2.77Å; E124-L201 HydrophobicContact CB-CD2 4.22Å; E124-R205 IonicContact OE2-CZ 3.36Å; E124-R205 VanDerWaalsContact OE2-CZ 3.31Å; E124-R205 IonicContact OE2-NE 3.49Å; E124-R205 PolarHBondContact OE2-NE 3.37Å; E124-R205 VanDerWaalsContact OE2-NE 3.08Å; E124-R205 IonicContact OE2-NH2 3.62Å; E124-R205 PolarHBondContact OE2-NH2 3.38Å
125	N	87	Confident	76.5	Confident	2 Å²	2	23.4 Å²	23.4	1%	0.011	12%	0.118	C	C	.	.	H	α-helix	trans	-79.9	-35.7	178.2	-79.4	-10.1	0	0	0	113.9	P66 L68 M70 V121 I122 R123 Y127 L128 H197	P66-N125 PolarHBondContact O-ND2 2.85Å; L68-N125 VanDerWaalsContact O-CB 3.27Å; L68-N125 WeakPolarHBondContact O-CB 3.43Å; L68-N125 PolarHBondContact O-ND2 2.82Å; M70-N125 HydrophobicContact CG-CB 3.92Å; V121-N125 PolarHBondContact O-N 3.32Å; V121-N125 VanDerWaalsContact O-N 3.11Å; I122-N125 PolarHBondContact O-N 2.63Å; R123-N125 PolarHBondContact O-N 3.07Å; N125-Y127 VanDerWaalsContact C-N 3.34Å; N125-Y127 PolarHBondContact O-N 2.86Å; N125-L128 VanDerWaalsContact O-CB 3.31Å; N125-L128 WeakPolarHBondContact O-CB 3.34Å; N125-L128 WeakPolarHBondContact O-CG 3.35Å; N125-L128 PolarHBondContact O-N 2.79Å; N125-H197 PolarHBondContact ND2-NE2 3.35Å; N125-H197 PolarHBondContact OD1-NE2 3.17Å
126	L	84.9	Confident	76.3	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.8	-42.7	176.8	-76.9	166.8	0	0	0	111.8	A37 G69 L105 I122 R123 L128 R129 A130 L167 T179 P182	A37-L126 HydrophobicContact CB-CD2 3.59Å; G69-L126 WeakPolarHBondContact O-CD2 3.49Å; L105-L126 HydrophobicContact CD1-CD1 4.29Å; I122-L126 HydrophobicContact CG2-CD1 3.83Å; I122-L126 HydrophobicContact CG2-CG 4.38Å; I122-L126 VanDerWaalsContact O-CG 3.3Å; I122-L126 WeakPolarHBondContact O-CG 3.12Å; I122-L126 PolarHBondContact O-N 2.68Å; R123-L126 PolarHBondContact O-N 3.2Å; L126-L128 PolarHBondContact O-N 3.36Å; L126-L128 VanDerWaalsContact O-N 3.09Å; L126-R129 PolarHBondContact O-N 2.83Å; L126-R129 VanDerWaalsContact O-N 3.09Å; L126-A130 PolarHBondContact O-N 2.88Å; L126-L167 HydrophobicContact CD1-CD1 4.03Å; L126-L167 HydrophobicContact CD2-CD1 3.51Å; L126-L167 HydrophobicContact CG-CD1 4.46Å; L126-T179 HydrophobicContact CB-CG2 4.4Å; L126-T179 HydrophobicContact CD1-CG2 3.99Å; L126-P182 HydrophobicContact CD2-CG 3.69Å
127	Y	77.2	Confident	76.5	Confident	27 Å²	27	23.4 Å²	23.4	11%	0.106	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	5	-179.8	-50.8	-40.4	0	0	0	114.3	R123 N125 P132 T179 F1100	R123-Y127 HydrophobicContact CB-CE2 3.81Å; R123-Y127 WeakPolarHBondContact O-CD2 3.48Å; R123-Y127 WeakPolarHBondContact O-CE2 3.44Å; R123-Y127 PolarHBondContact O-N 3.49Å; R123-Y127 VanDerWaalsContact O-N 3.16Å; N125-Y127 VanDerWaalsContact C-N 3.34Å; N125-Y127 PolarHBondContact O-N 2.86Å; Y127-P132 HydrophobicContact CD1-CB 4.49Å; Y127-T179 HydrophobicContact CE1-CG2 3.83Å; Y127-T179 PolarHBondContact OH-OG1 3.37Å; Y127-F1100 HydrophobicContact CE2-CD1 4.47Å
128	L	78.3	Confident	76.3	Confident	32 Å²	32	26.8 Å²	26.8	17%	0.168	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-23.3	165	-62.9	169.1	0	0	0	112.5	N125 L126 I192 H197 L200 F204	N125-L128 VanDerWaalsContact O-CB 3.31Å; N125-L128 WeakPolarHBondContact O-CB 3.34Å; N125-L128 WeakPolarHBondContact O-CG 3.35Å; N125-L128 PolarHBondContact O-N 2.79Å; L126-L128 PolarHBondContact O-N 3.36Å; L126-L128 VanDerWaalsContact O-N 3.09Å; L128-I192 HydrophobicContact CB-CD1 4.06Å; L128-I192 HydrophobicContact CD1-CD1 4.31Å; L128-H197 WeakPolarHBondContact CD1-NE2 3.39Å; L128-L200 HydrophobicContact CD2-CB 3.74Å; L128-L200 HydrophobicContact CD2-CD1 4.09Å; L128-L200 HydrophobicContact CD2-CG 4.37Å; L128-F204 HydrophobicContact CD2-CD2 4.28Å; L128-F204 HydrophobicContact CD2-CE2 3.69Å; L128-F204 HydrophobicContact CG-CE2 4.27Å
129	R	72.9	Confident	76	Confident	82 Å²	82	29.5 Å²	29.5	31%	0.309	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.6	-33.1	-175.1	-70.3	-64.7	-168.4	178.2	-1.7	113.9	T71 D74 L126 P182 P190	T71-R129 HydrophobicContact CG2-CB 4.38Å; T71-R129 HydrophobicContact CG2-CG 4.13Å; D74-R129 IonicContact OD1-CZ 3.25Å; D74-R129 IonicContact OD1-NE 3.34Å; D74-R129 PolarHBondContact OD1-NE 3.07Å; D74-R129 IonicContact OD1-NH2 2.67Å; D74-R129 PolarHBondContact OD1-NH2 3.32Å; D74-R129 VanDerWaalsContact OD2-CG 3.27Å; D74-R129 WeakPolarHBondContact OD2-CG 3.29Å; D74-R129 IonicContact OD2-CZ 3.75Å; D74-R129 IonicContact OD2-NE 3.88Å; D74-R129 PolarHBondContact OD2-NE 2.94Å; D74-R129 IonicContact OD2-NH2 3.87Å; L126-R129 PolarHBondContact O-N 2.83Å; L126-R129 VanDerWaalsContact O-N 3.09Å; R129-P182 HydrophobicContact CB-CB 4.28Å; R129-P190 PolarHBondContact NH2-O 3.4Å
130	A	65.8	Low	75.8	Confident	12 Å²	12	35.6 Å²	35.6	10%	0.099	17%	0.172	C	C	.	.	S	Bend	trans	-89.2	142.7	174.3	0	0	0	0	0	111.5	L126 P180 P182	L126-A130 PolarHBondContact O-N 2.88Å; A130-P180 HydrophobicContact CB-CG 4.28Å; A130-P182 HydrophobicContact CB-CG 4.4Å
131	V	59.9	Low	75.1	Confident	35 Å²	35	41.3 Å²	41.3	21%	0.212	21%	0.205	C	C	.	.			trans	-62.4	140.5	165.2	-179.2	0	0	0	0	108.4	C133 G146 N150	V131-C133 PolarHBondContact O-N 3.09Å; V131-G146 WeakPolarHBondContact CG2-O 3.44Å; V131-N150 WeakPolarHBondContact CG1-OD1 3.38Å
132	P	55.3	Low	74.3	Confident	13 Å²	13	43.3 Å²	43.3	8%	0.084	23%	0.231	C	C	.	.	S	Bend	trans	-63.9	101.8	-177.6	-19.6	32.4	0	0	0	112.3	Y127 Y149 F1100	Y127-P132 HydrophobicContact CD1-CB 4.49Å; P132-Y149 WeakPolarHBondContact O-CA 3.03Å; P132-Y149 VanDerWaalsContact O-CD1 3.29Å; P132-Y149 WeakPolarHBondContact O-CD1 3.4Å; P132-F1100 HydrophobicContact CB-CB 4.12Å; P132-F1100 HydrophobicContact CB-CD1 4.11Å; P132-F1100 HydrophobicContact CB-CG 4.47Å
133	C	60.7	Low	73.7	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.02	24%	0.24	C	C	.	.			trans	56.9	136.4	176.2	-71.3	0	0	0	0	118.4	V131 Y149 N150 G178 F1100	V131-C133 PolarHBondContact O-N 3.09Å; C133-Y149 HydrophobicContact CB-CD1 4.36Å; C133-N150 PolarHBondContact O-N 3.4Å; C133-G178 CarbonylContact C-O 3.32Å; C133-G178 VanDerWaalsContact CA-O 3.26Å; C133-G178 WeakPolarHBondContact CA-O 3.11Å; C133-F1100 HydrophobicContact CB-CE1 4.32Å; C133-F1100 HydrophobicContact CB-CZ 4.38Å; C133-F1100 WeakPolarHBondContact SG-CE1 3.48Å; C133-F1100 VanDerWaalsContact SG-CZ 3.56Å
134	G	65.6	Low	72.9	Confident	2 Å²	2	50 Å²	50	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	134.8	150.7	0	0	0	0	0	109.2	N150 Y177 G178	G134-N150 CarbonylContact C-O 3.48Å; G134-N150 VanDerWaalsContact CA-O 3.32Å; G134-N150 WeakPolarHBondContact CA-O 3.32Å; G134-Y177 CarbonylContact O-C 3.58Å; G134-Y177 VanDerWaalsContact O-CA 3.3Å; G134-Y177 WeakPolarHBondContact O-CA 3.41Å; G134-G178 PolarHBondContact N-O 3.32Å; G134-G178 PolarHBondContact O-N 3.15Å
135	T	75.6	Confident	72.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	147.3	174.2	-171.1	0	0	0	0	112.9	R137 Y149 N150 F151 V152 Y176 Y177	T135-R137 HydrophobicContact CG2-CB 4.27Å; T135-R137 PolarHBondContact OG1-N 3.02Å; T135-Y149 HydrophobicContact CG2-CD1 3.92Å; T135-Y149 HydrophobicContact CG2-CG 3.92Å; T135-N150 PolarHBondContact N-O 3.14Å; T135-F151 HydrophobicContact CG2-CD1 3.56Å; T135-F151 HydrophobicContact CG2-CE1 3.8Å; T135-F151 WeakPolarHBondContact O-CA 3.42Å; T135-V152 WeakPolarHBondContact O-CG2 3.43Å; T135-V152 PolarHBondContact O-N 3.32Å; T135-Y176 WeakPolarHBondContact CA-O 3.22Å; T135-Y176 WeakPolarHBondContact CB-O 3.4Å; T135-Y176 PolarHBondContact OG1-O 3.05Å; T135-Y177 HydrophobicContact CG2-CE1 4.45Å; T135-Y177 WeakPolarHBondContact OG1-CD1 3.18Å; T135-Y177 WeakPolarHBondContact OG1-CE1 3.38Å
136	T	76.9	Confident	71.3	Confident	18 Å²	18	53.4 Å²	53.4	11%	0.11	30%	0.299	C	S	.	.			trans	-95.2	8.1	174.7	76.9	0	0	0	0	113.1	V152 I154 F157 Y176	T136-V152 WeakPolarHBondContact CA-O 3.09Å; T136-I154 HydrophobicContact CG2-CB 4.42Å; T136-I154 HydrophobicContact CG2-CG1 3.94Å; T136-F157 HydrophobicContact CG2-CB 3.52Å; T136-F157 HydrophobicContact CG2-CD2 4.18Å; T136-F157 HydrophobicContact CG2-CG 3.87Å; T136-Y176 HydrophobicContact CG2-CD2 4.11Å; T136-Y176 HydrophobicContact CG2-CG 4.45Å; T136-Y176 PolarHBondContact N-O 3.5Å; T136-Y176 PolarHBondContact OG1-N 3.27Å
137	R	81.1	Confident	70.2	Confident	24 Å²	24	56.4 Å²	56.4	9%	0.091	32%	0.317	C	S	.	.	S	Bend	trans	-71	148.8	169.9	-170.7	-179.6	48.9	86	-17.4	108.8	T135 E143 F151 N175 Y177	T135-R137 HydrophobicContact CG2-CB 4.27Å; T135-R137 PolarHBondContact OG1-N 3.02Å; R137-E143 IonicContact CZ-OE1 3.4Å; R137-E143 IonicContact CZ-OE2 2.81Å; R137-E143 IonicContact NH1-OE1 3.8Å; R137-E143 IonicContact NH1-OE2 3.59Å; R137-E143 PolarHBondContact NH1-OE2 2.84Å; R137-E143 VanDerWaalsContact NH2-CD 3.33Å; R137-E143 IonicContact NH2-OE1 2.75Å; R137-E143 PolarHBondContact NH2-OE1 3.38Å; R137-E143 IonicContact NH2-OE2 3.08Å; R137-E143 PolarHBondContact NH2-OE2 3.12Å; R137-E143 VanDerWaalsContact NH2-OE2 3.09Å; R137-F151 VanDerWaalsContact O-CD1 3.25Å; R137-F151 WeakPolarHBondContact O-CD1 3.23Å; R137-N175 WeakPolarHBondContact CA-OD1 3.39Å; R137-N175 HydrophobicContact CB-CB 4.09Å; R137-Y177 VanDerWaalsContact CD-OH 3.32Å; R137-Y177 WeakPolarHBondContact CD-OH 3.21Å; R137-Y177 PolarHBondContact NE-OH 3.28Å
138	Q	76.3	Confident	69.4	Low	166 Å²	166	56.9 Å²	56.9	78%	0.776	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-73	148.9	167.1	-67	-172.8	-3	0	0	111.1
139	P	78.7	Confident	69	Low	76 Å²	76	56 Å²	56	49%	0.494	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-56.2	142.7	173	-20.3	30.1	0	0	0	112	F151	P139-F151 HydrophobicContact CB-CD2 4.3Å; P139-F151 HydrophobicContact CB-CE1 4.35Å; P139-F151 HydrophobicContact CB-CE2 3.95Å; P139-F151 HydrophobicContact CB-CZ 3.97Å; P139-F151 HydrophobicContact CG-CB 4.41Å; P139-F151 HydrophobicContact CG-CD1 4.12Å; P139-F151 HydrophobicContact CG-CD2 3.74Å; P139-F151 HydrophobicContact CG-CE1 4.28Å; P139-F151 HydrophobicContact CG-CE2 3.92Å; P139-F151 HydrophobicContact CG-CG 3.83Å; P139-F151 HydrophobicContact CG-CZ 4.18Å
140	R	77.9	Confident	69	Low	128 Å²	128	54.7 Å²	54.7	48%	0.483	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-89.1	161.4	164.4	-69.1	164	174.1	174.1	-1.2	109.3	G142 E143 E1097	R140-G142 PolarHBondContact O-N 3.18Å; R140-E143 HydrophobicContact CB-CG 4.13Å; R140-E143 PolarHBondContact N-OE2 3.04Å; R140-E143 WeakPolarHBondContact O-CB 3.43Å; R140-E143 PolarHBondContact O-N 3.33Å; R140-E1097 IonicContact CZ-OE2 3.76Å; R140-E1097 IonicContact NH1-OE2 2.69Å; R140-E1097 PolarHBondContact NH1-OE2 3.4Å; R140-E1097 VanDerWaalsContact NH1-OE2 3.08Å; R140-E1097 IonicContact NH2-OE1 2.75Å; R140-E1097 IonicContact NH2-OE2 2.65Å; R140-E1097 PolarHBondContact NH2-OE2 3.43Å
141	D	64.4	Low	69.8	Low	179 Å²	179	55.8 Å²	55.8	96%	0.957	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	123.8	176.7	-67.5	-54.3	0	0	0	111.5
142	G	70.1	Confident	70.8	Confident	72 Å²	72	55 Å²	55	74%	0.742	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.4	-12.7	-176.4	0	0	0	0	0	116	R140	R140-G142 PolarHBondContact O-N 3.18Å
143	E	74.1	Confident	72.1	Confident	40 Å²	40	56.8 Å²	56.8	19%	0.187	33%	0.325	C	S	.	.			trans	-80.9	132.5	175.6	-62.8	-178.5	145.9	0	0	111.7	R137 R140 D148 F151	R137-E143 IonicContact CZ-OE1 3.4Å; R137-E143 IonicContact CZ-OE2 2.81Å; R137-E143 IonicContact NH1-OE1 3.8Å; R137-E143 IonicContact NH1-OE2 3.59Å; R137-E143 PolarHBondContact NH1-OE2 2.84Å; R137-E143 VanDerWaalsContact NH2-CD 3.33Å; R137-E143 IonicContact NH2-OE1 2.75Å; R137-E143 PolarHBondContact NH2-OE1 3.38Å; R137-E143 IonicContact NH2-OE2 3.08Å; R137-E143 PolarHBondContact NH2-OE2 3.12Å; R137-E143 VanDerWaalsContact NH2-OE2 3.09Å; R140-E143 HydrophobicContact CB-CG 4.13Å; R140-E143 PolarHBondContact N-OE2 3.04Å; R140-E143 WeakPolarHBondContact O-CB 3.43Å; R140-E143 PolarHBondContact O-N 3.33Å; E143-D148 HydrophobicContact CB-CB 4.18Å; E143-D148 HydrophobicContact CG-CB 4.49Å; E143-F151 HydrophobicContact CB-CE2 4.13Å; E143-F151 HydrophobicContact CB-CZ 3.89Å; E143-F151 WeakPolarHBondContact OE2-CZ 3.49Å
144	I	66.2	Low	72.9	Confident	104 Å²	104	60.5 Å²	60.5	53%	0.533	34%	0.344	S	S	.	.			trans	-112.4	126.1	-177	-58.4	175.5	0	0	0	110.2	G146 V147 D148	I144-G146 PolarHBondContact O-N 2.88Å; I144-V147 HydrophobicContact CB-CB 4.09Å; I144-V147 HydrophobicContact CB-CG2 4.24Å; I144-V147 HydrophobicContact CG2-CB 4.22Å; I144-V147 HydrophobicContact CG2-CG2 3.84Å; I144-V147 PolarHBondContact O-N 2.81Å; I144-V147 VanDerWaalsContact O-N 3.08Å; I144-D148 PolarHBondContact N-OD2 2.9Å; I144-D148 PolarHBondContact O-N 2.81Å
145	S	71.4	Confident	73.6	Confident	74 Å²	74	66.9 Å²	66.9	52%	0.517	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-63.4	132.9	176.6	-157.7	0	0	0	0	111.5	V147 Y149 F151	S145-V147 VanDerWaalsContact C-N 3.3Å; S145-Y149 CarbonylContact C-O 3.59Å; S145-Y149 WeakPolarHBondContact CA-O 3.25Å; S145-F151 PolarHBondContact OG-N 2.9Å
146	G	64.7	Low	73.7	Confident	35 Å²	35	71.4 Å²	71.4	36%	0.361	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	2.3	-173.5	0	0	0	0	0	114.9	V131 I144 Y149 N150	V131-G146 WeakPolarHBondContact CG2-O 3.44Å; I144-G146 PolarHBondContact O-N 2.88Å; G146-Y149 PolarHBondContact N-O 3.28Å; G146-N150 WeakPolarHBondContact CA-OD1 3.43Å
147	V	62.1	Low	73.8	Confident	63 Å²	63	70.6 Å²	70.6	38%	0.382	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.1	-55.5	177	-177.9	0	0	0	0	110.9	I144 S145 V1102	I144-V147 HydrophobicContact CB-CB 4.09Å; I144-V147 HydrophobicContact CB-CG2 4.24Å; I144-V147 HydrophobicContact CG2-CB 4.22Å; I144-V147 HydrophobicContact CG2-CG2 3.84Å; I144-V147 PolarHBondContact O-N 2.81Å; I144-V147 VanDerWaalsContact O-N 3.08Å; S145-V147 VanDerWaalsContact C-N 3.3Å; V147-V1102 HydrophobicContact CG1-CG1 3.91Å
148	D	59.6	Low	73.7	Confident	37 Å²	37	73.2 Å²	73.2	20%	0.198	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-51.5	177.8	-64.7	-95.8	0	0	0	111.1	E143 I144 V1102	E143-D148 HydrophobicContact CB-CB 4.18Å; E143-D148 HydrophobicContact CG-CB 4.49Å; I144-D148 PolarHBondContact N-OD2 2.9Å; I144-D148 PolarHBondContact O-N 2.81Å; D148-V1102 HydrophobicContact CB-CG2 4.27Å; D148-V1102 WeakPolarHBondContact OD1-CG2 3.27Å
149	Y	69.8	Low	73.9	Confident	13 Å²	13	68.5 Å²	68.5	5%	0.051	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-144.9	160.9	174.1	-60.9	-93	0	0	0	110.4	P132 C133 T135 S145 G146 F151 Y177 F1100	P132-Y149 WeakPolarHBondContact O-CA 3.03Å; P132-Y149 VanDerWaalsContact O-CD1 3.29Å; P132-Y149 WeakPolarHBondContact O-CD1 3.4Å; C133-Y149 HydrophobicContact CB-CD1 4.36Å; T135-Y149 HydrophobicContact CG2-CD1 3.92Å; T135-Y149 HydrophobicContact CG2-CG 3.92Å; S145-Y149 CarbonylContact C-O 3.59Å; S145-Y149 WeakPolarHBondContact CA-O 3.25Å; G146-Y149 PolarHBondContact N-O 3.28Å; Y149-F151 AromaticContact CD2-CE1 3.95Å; Y149-F151 HydrophobicContact CD2-CE1 3.95Å; Y149-F151 HydrophobicContact CD2-CE2 4.42Å; Y149-F151 AromaticContact CD2-CZ 3.62Å; Y149-F151 HydrophobicContact CD2-CZ 3.62Å; Y149-F151 HydrophobicContact CG-CE1 4.15Å; Y149-F151 HydrophobicContact CG-CZ 4.11Å; Y149-F151 PolarHBondContact O-N 3.22Å; Y149-Y177 HydrophobicContact CE1-CD1 4.41Å; Y149-Y177 HydrophobicContact CE1-CE1 4.15Å; Y149-F1100 HydrophobicContact CE1-CB 4.01Å; Y149-F1100 AromaticContact CE1-CD2 3.55Å; Y149-F1100 HydrophobicContact CE1-CD2 3.55Å; Y149-F1100 HydrophobicContact CE1-CE2 4.18Å; Y149-F1100 AromaticContact CE1-CG 3.9Å; Y149-F1100 HydrophobicContact CE1-CG 3.9Å; Y149-F1100 AromaticContact CZ-CD2 3.91Å; Y149-F1100 WeakPolarHBondContact OH-CD2 3.13Å
150	N	73.2	Confident	73.9	Confident	54 Å²	54	67.4 Å²	67.4	29%	0.289	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	97	158.6	-77	-8.6	0	0	0	108.2	V131 C133 G134 T135 G146 V152	V131-N150 WeakPolarHBondContact CG1-OD1 3.38Å; C133-N150 PolarHBondContact O-N 3.4Å; G134-N150 CarbonylContact C-O 3.48Å; G134-N150 VanDerWaalsContact CA-O 3.32Å; G134-N150 WeakPolarHBondContact CA-O 3.32Å; T135-N150 PolarHBondContact N-O 3.14Å; G146-N150 WeakPolarHBondContact CA-OD1 3.43Å; N150-V152 HydrophobicContact CB-CG1 4.46Å; N150-V152 PolarHBondContact O-N 3.12Å
151	F	81.6	Confident	73.7	Confident	35 Å²	35	65 Å²	65	15%	0.154	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	111.6	176.4	-61.1	-73.3	0	0	0	109.7	T135 R137 P139 E143 S145 Y149	T135-F151 HydrophobicContact CG2-CD1 3.56Å; T135-F151 HydrophobicContact CG2-CE1 3.8Å; T135-F151 WeakPolarHBondContact O-CA 3.42Å; R137-F151 VanDerWaalsContact O-CD1 3.25Å; R137-F151 WeakPolarHBondContact O-CD1 3.23Å; P139-F151 HydrophobicContact CB-CD2 4.3Å; P139-F151 HydrophobicContact CB-CE1 4.35Å; P139-F151 HydrophobicContact CB-CE2 3.95Å; P139-F151 HydrophobicContact CB-CZ 3.97Å; P139-F151 HydrophobicContact CG-CB 4.41Å; P139-F151 HydrophobicContact CG-CD1 4.12Å; P139-F151 HydrophobicContact CG-CD2 3.74Å; P139-F151 HydrophobicContact CG-CE1 4.28Å; P139-F151 HydrophobicContact CG-CE2 3.92Å; P139-F151 HydrophobicContact CG-CG 3.83Å; P139-F151 HydrophobicContact CG-CZ 4.18Å; E143-F151 HydrophobicContact CB-CE2 4.13Å; E143-F151 HydrophobicContact CB-CZ 3.89Å; E143-F151 WeakPolarHBondContact OE2-CZ 3.49Å; S145-F151 PolarHBondContact OG-N 2.9Å; Y149-F151 AromaticContact CD2-CE1 3.95Å; Y149-F151 HydrophobicContact CD2-CE1 3.95Å; Y149-F151 HydrophobicContact CD2-CE2 4.42Å; Y149-F151 AromaticContact CD2-CZ 3.62Å; Y149-F151 HydrophobicContact CD2-CZ 3.62Å; Y149-F151 HydrophobicContact CG-CE1 4.15Å; Y149-F151 HydrophobicContact CG-CZ 4.11Å; Y149-F151 PolarHBondContact O-N 3.22Å
152	V	81.3	Confident	74.1	Confident	20 Å²	20	60.3 Å²	60.3	12%	0.121	34%	0.343	C	S	.	.			trans	-125.1	157.1	-170.8	-68.4	0	0	0	0	111.1	T135 T136 N150 E156 F157 L160	T135-V152 WeakPolarHBondContact O-CG2 3.43Å; T135-V152 PolarHBondContact O-N 3.32Å; T136-V152 WeakPolarHBondContact CA-O 3.09Å; N150-V152 HydrophobicContact CB-CG1 4.46Å; N150-V152 PolarHBondContact O-N 3.12Å; V152-E156 VanDerWaalsContact CA-OE2 3.26Å; V152-E156 WeakPolarHBondContact CA-OE2 3.42Å; V152-E156 HydrophobicContact CB-CB 4.22Å; V152-E156 HydrophobicContact CB-CG 3.94Å; V152-E156 VanDerWaalsContact CB-OE2 3.26Å; V152-E156 WeakPolarHBondContact CB-OE2 3.41Å; V152-E156 HydrophobicContact CG1-CG 4.1Å; V152-F157 HydrophobicContact CG2-CB 3.99Å; V152-F157 HydrophobicContact CG2-CD2 4.11Å; V152-L160 HydrophobicContact CG1-CD1 4.24Å
153	S	82.3	Confident	74.3	Confident	49 Å²	49	60.9 Å²	60.9	34%	0.343	34%	0.336	S	S	.	.			trans	-67.4	164.4	174	108.2	0	0	0	0	111.8	E155 E156 F157	S153-E155 VanDerWaalsContact C-N 3.29Å; S153-E155 WeakPolarHBondContact CB-OE2 3.46Å; S153-E155 WeakPolarHBondContact OG-CB 3.34Å; S153-E155 PolarHBondContact OG-N 3Å; S153-E155 VanDerWaalsContact OG-N 3.16Å; S153-E155 PolarHBondContact OG-OE2 3.39Å; S153-E156 PolarHBondContact N-OE2 3.14Å; S153-E156 PolarHBondContact O-N 2.82Å; S153-E156 PolarHBondContact OG-N 3.35Å; S153-F157 WeakPolarHBondContact O-CB 3.39Å; S153-F157 PolarHBondContact O-N 2.57Å
154	I	78.7	Confident	74.4	Confident	81 Å²	81	59.9 Å²	59.9	42%	0.415	34%	0.336	S	S	.	.	H	α-helix	trans	-65	-39.4	175.2	-65.5	175.5	0	0	0	110.3	T136 F158 Y176	T136-I154 HydrophobicContact CG2-CB 4.42Å; T136-I154 HydrophobicContact CG2-CG1 3.94Å; I154-F158 HydrophobicContact CG2-CD2 3.88Å; I154-F158 HydrophobicContact CG2-CE2 3.59Å; I154-F158 WeakPolarHBondContact O-CD2 3.16Å; I154-F158 PolarHBondContact O-N 3.46Å; I154-F158 VanDerWaalsContact O-N 3.14Å; I154-Y176 HydrophobicContact CG2-CE2 4.29Å
155	E	78.9	Confident	75	Confident	136 Å²	136	56.2 Å²	56.2	64%	0.636	32%	0.321	S	S	*	.	H	α-helix	trans	-62.4	-49.7	174	-55.8	73.9	-165.4	0	0	110.9	S153 F157 F158 S159	S153-E155 VanDerWaalsContact C-N 3.29Å; S153-E155 WeakPolarHBondContact CB-OE2 3.46Å; S153-E155 WeakPolarHBondContact OG-CB 3.34Å; S153-E155 PolarHBondContact OG-N 3Å; S153-E155 VanDerWaalsContact OG-N 3.16Å; S153-E155 PolarHBondContact OG-OE2 3.39Å; E155-F157 PolarHBondContact O-N 2.85Å; E155-F158 PolarHBondContact O-N 2.89Å; E155-S159 PolarHBondContact O-N 2.75Å; E155-S159 PolarHBondContact O-OG 2.83Å
156	E	77.9	Confident	75.5	Confident	96 Å²	96	53.2 Å²	53.2	45%	0.449	30%	0.3	S	S	.	.	H	α-helix	trans	-62.3	-40.4	178.6	-177.4	-178.6	-164.6	0	0	112.5	V152 S153 F158 S159 L160	V152-E156 VanDerWaalsContact CA-OE2 3.26Å; V152-E156 WeakPolarHBondContact CA-OE2 3.42Å; V152-E156 HydrophobicContact CB-CB 4.22Å; V152-E156 HydrophobicContact CB-CG 3.94Å; V152-E156 VanDerWaalsContact CB-OE2 3.26Å; V152-E156 WeakPolarHBondContact CB-OE2 3.41Å; V152-E156 HydrophobicContact CG1-CG 4.1Å; S153-E156 PolarHBondContact N-OE2 3.14Å; S153-E156 PolarHBondContact O-N 2.82Å; S153-E156 PolarHBondContact OG-N 3.35Å; E156-F158 VanDerWaalsContact C-N 3.34Å; E156-F158 PolarHBondContact O-N 2.81Å; E156-S159 PolarHBondContact O-N 2.87Å; E156-L160 WeakPolarHBondContact O-CG 3.23Å; E156-L160 PolarHBondContact O-N 2.89Å
157	F	80.1	Confident	76.3	Confident	1 Å²	1	51.9 Å²	51.9	0%	0.004	28%	0.284	C	S	.	.	H	α-helix	trans	-59	-45.6	173.1	-175.3	-84.2	0	0	0	111.5	T136 V152 S153 E155 L160 E161 L166 Y176 Y177	T136-F157 HydrophobicContact CG2-CB 3.52Å; T136-F157 HydrophobicContact CG2-CD2 4.18Å; T136-F157 HydrophobicContact CG2-CG 3.87Å; V152-F157 HydrophobicContact CG2-CB 3.99Å; V152-F157 HydrophobicContact CG2-CD2 4.11Å; S153-F157 WeakPolarHBondContact O-CB 3.39Å; S153-F157 PolarHBondContact O-N 2.57Å; E155-F157 PolarHBondContact O-N 2.85Å; F157-L160 PolarHBondContact O-N 3.15Å; F157-E161 PolarHBondContact O-N 3.13Å; F157-L166 HydrophobicContact CD2-CD1 4.48Å; F157-L166 HydrophobicContact CE1-CD1 4.03Å; F157-L166 HydrophobicContact CE2-CD1 3.83Å; F157-L166 HydrophobicContact CZ-CD1 3.56Å; F157-Y176 HydrophobicContact CD1-CD1 4.49Å; F157-Y176 HydrophobicContact CD1-CG 4.16Å; F157-Y176 HydrophobicContact CE1-CD1 4.28Å; F157-Y176 HydrophobicContact CE1-CG 4.24Å; F157-Y177 VanDerWaalsContact CE2-C 3.49Å; F157-Y177 WeakPolarHBondContact CZ-O 3.21Å
158	F	79.1	Confident	77.2	Confident	79 Å²	79	50.2 Å²	50.2	35%	0.346	27%	0.272	S	S	.	.	H	α-helix	trans	-67.3	-33.8	175.9	-74.2	-54	0	0	0	112.4	I154 E155 E156 L160 E161 E162 Y176	I154-F158 HydrophobicContact CG2-CD2 3.88Å; I154-F158 HydrophobicContact CG2-CE2 3.59Å; I154-F158 WeakPolarHBondContact O-CD2 3.16Å; I154-F158 PolarHBondContact O-N 3.46Å; I154-F158 VanDerWaalsContact O-N 3.14Å; E155-F158 PolarHBondContact O-N 2.89Å; E156-F158 VanDerWaalsContact C-N 3.34Å; E156-F158 PolarHBondContact O-N 2.81Å; F158-L160 VanDerWaalsContact C-N 3.35Å; F158-E161 WeakPolarHBondContact CD1-OE2 3.35Å; F158-E161 PolarHBondContact O-N 2.92Å; F158-E162 WeakPolarHBondContact O-CB 3.29Å; F158-E162 PolarHBondContact O-N 3.08Å; F158-Y176 HydrophobicContact CE1-CD1 4.47Å; F158-Y176 HydrophobicContact CE1-CE1 4.11Å; F158-Y176 HydrophobicContact CE2-CE2 4.36Å; F158-Y176 HydrophobicContact CZ-CD1 4.28Å; F158-Y176 AromaticContact CZ-CE1 3.66Å; F158-Y176 HydrophobicContact CZ-CE1 3.66Å; F158-Y176 HydrophobicContact CZ-CE2 4.1Å; F158-Y176 AromaticContact CZ-CZ 3.57Å
159	S	80.4	Confident	78	Confident	66 Å²	66	51 Å²	51	46%	0.462	28%	0.281	S	S	.	.	H	α-helix	trans	-64.4	-36.3	170.6	-65	0	0	0	0	112.7	E155 E156 S163	E155-S159 PolarHBondContact O-N 2.75Å; E155-S159 PolarHBondContact O-OG 2.83Å; E156-S159 PolarHBondContact O-N 2.87Å; S159-S163 WeakPolarHBondContact O-CB 3.47Å; S159-S163 PolarHBondContact O-N 3.27Å; S159-S163 PolarHBondContact O-OG 3.49Å
160	L	77.9	Confident	77.9	Confident	54 Å²	54	50.9 Å²	50.9	28%	0.283	28%	0.283	S	S	.	.	H	α-helix	trans	-69.9	-34.1	174.4	-69.6	169.3	0	0	0	112.5	V152 E156 F157 F158 S163 A165 L166	V152-L160 HydrophobicContact CG1-CD1 4.24Å; E156-L160 WeakPolarHBondContact O-CG 3.23Å; E156-L160 PolarHBondContact O-N 2.89Å; F157-L160 PolarHBondContact O-N 3.15Å; F158-L160 VanDerWaalsContact C-N 3.35Å; L160-S163 PolarHBondContact O-OG 2.86Å; L160-A165 HydrophobicContact CB-CB 4.41Å; L160-A165 HydrophobicContact CD2-CB 3.83Å; L160-A165 WeakPolarHBondContact O-CA 3.48Å; L160-A165 WeakPolarHBondContact O-CB 3.38Å; L160-A165 PolarHBondContact O-N 2.85Å; L160-L166 HydrophobicContact CB-CD1 4.38Å; L160-L166 HydrophobicContact CB-CD2 4.15Å; L160-L166 HydrophobicContact CB-CG 4.01Å; L160-L166 PolarHBondContact O-N 3.24Å
161	E	74.4	Confident	77.7	Confident	78 Å²	78	53 Å²	53	36%	0.364	29%	0.29	S	S	.	.	H	α-helix	trans	-69.4	-49.7	172	-172	168.5	-136.1	0	0	111.4	F157 F158 S163 G164 L166 S169	F157-E161 PolarHBondContact O-N 3.13Å; F158-E161 WeakPolarHBondContact CD1-OE2 3.35Å; F158-E161 PolarHBondContact O-N 2.92Å; E161-S163 PolarHBondContact O-N 3.19Å; E161-G164 PolarHBondContact O-N 3.37Å; E161-L166 HydrophobicContact CB-CD1 4.07Å; E161-S169 WeakPolarHBondContact OE1-CB 3.16Å; E161-S169 PolarHBondContact OE1-OG 2.68Å
162	E	71.6	Confident	76.5	Confident	80 Å²	80	52.2 Å²	52.2	37%	0.374	29%	0.286	S	S	.	.	H	α-helix	trans	-67	-34.6	-176.2	-167.7	166	124.8	0	0	112.6	F158 G164 I819 R905	F158-E162 WeakPolarHBondContact O-CB 3.29Å; F158-E162 PolarHBondContact O-N 3.08Å; E162-G164 VanDerWaalsContact C-N 3.26Å; E162-G164 PolarHBondContact O-N 2.88Å; E162-I819 VanDerWaalsContact CD-CG1 3.4Å; E162-I819 HydrophobicContact CG-CD1 4.09Å; E162-I819 HydrophobicContact CG-CG1 3.81Å; E162-I819 VanDerWaalsContact OE1-CD1 3.23Å; E162-I819 WeakPolarHBondContact OE1-CD1 3.19Å; E162-I819 WeakPolarHBondContact OE1-CG1 3.4Å; E162-I819 WeakPolarHBondContact OE2-CD1 3.18Å; E162-R905 IonicContact OE2-NH2 2.67Å
163	S	75.7	Confident	75.9	Confident	83 Å²	83	58 Å²	58	58%	0.58	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-4.8	172.5	60.4	0	0	0	0	114.5	S159 L160 E161 A165	S159-S163 WeakPolarHBondContact O-CB 3.47Å; S159-S163 PolarHBondContact O-N 3.27Å; S159-S163 PolarHBondContact O-OG 3.49Å; L160-S163 PolarHBondContact O-OG 2.86Å; E161-S163 PolarHBondContact O-N 3.19Å; S163-A165 PolarHBondContact O-N 3.07Å
164	G	74.8	Confident	75.1	Confident	19 Å²	19	58 Å²	58	20%	0.196	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	25.3	-174.5	0	0	0	0	0	113.5	E161 E162 L166	E161-G164 PolarHBondContact O-N 3.37Å; E162-G164 VanDerWaalsContact C-N 3.26Å; E162-G164 PolarHBondContact O-N 2.88Å; G164-L166 VanDerWaalsContact C-N 3.32Å
165	A	79.6	Confident	74.8	Confident	27 Å²	27	56.3 Å²	56.3	22%	0.223	31%	0.31	C	S	.	.			trans	-77.6	-18.1	173	0	0	0	0	0	112.3	L160 S163 R181	L160-A165 HydrophobicContact CB-CB 4.41Å; L160-A165 HydrophobicContact CD2-CB 3.83Å; L160-A165 WeakPolarHBondContact O-CA 3.48Å; L160-A165 WeakPolarHBondContact O-CB 3.38Å; L160-A165 PolarHBondContact O-N 2.85Å; S163-A165 PolarHBondContact O-N 3.07Å; A165-R181 VanDerWaalsContact O-CB 3.3Å; A165-R181 WeakPolarHBondContact O-CB 3.46Å; A165-R181 PolarHBondContact O-N 2.67Å
166	L	81.3	Confident	74.6	Confident	12 Å²	12	52.2 Å²	52.2	6%	0.063	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	143	169	-55.9	-179	0	0	0	111.5	F157 L160 E161 G164 P180	F157-L166 HydrophobicContact CD2-CD1 4.48Å; F157-L166 HydrophobicContact CE1-CD1 4.03Å; F157-L166 HydrophobicContact CE2-CD1 3.83Å; F157-L166 HydrophobicContact CZ-CD1 3.56Å; L160-L166 HydrophobicContact CB-CD1 4.38Å; L160-L166 HydrophobicContact CB-CD2 4.15Å; L160-L166 HydrophobicContact CB-CG 4.01Å; L160-L166 PolarHBondContact O-N 3.24Å; E161-L166 HydrophobicContact CB-CD1 4.07Å; G164-L166 VanDerWaalsContact C-N 3.32Å; L166-P180 HydrophobicContact CD2-CB 4.29Å
167	L	82.1	Confident	74.6	Confident	6 Å²	6	48.2 Å²	48.2	3%	0.031	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-24.4	171	-66.9	175.8	0	0	0	112.7	L101 R102 L105 L126 T179 R181	L101-L167 HydrophobicContact CD2-CD1 4.32Å; R102-L167 HydrophobicContact CG-CB 4.42Å; R102-L167 HydrophobicContact CG-CD2 3.67Å; L105-L167 HydrophobicContact CD1-CB 4.13Å; L126-L167 HydrophobicContact CD1-CD1 4.03Å; L126-L167 HydrophobicContact CD2-CD1 3.51Å; L126-L167 HydrophobicContact CG-CD1 4.46Å; L167-T179 PolarHBondContact N-O 3.04Å; L167-R181 HydrophobicContact CD2-CB 4.04Å; L167-R181 HydrophobicContact CD2-CG 4.05Å; L167-R181 HydrophobicContact CG-CB 3.96Å; L167-R181 HydrophobicContact CG-CG 4.4Å
168	E	80.1	Confident	74.6	Confident	29 Å²	29	48.2 Å²	48.2	14%	0.136	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	154.4	178.8	53.1	177.6	177.5	0	0	109.8	L105 R123 G178 T179	L105-E168 HydrophobicContact CB-CB 4.21Å; L105-E168 HydrophobicContact CD1-CG 4.47Å; R123-E168 WeakPolarHBondContact CD-OE1 3.43Å; R123-E168 IonicContact CZ-OE1 2.97Å; R123-E168 IonicContact CZ-OE2 2.67Å; R123-E168 VanDerWaalsContact CZ-OE2 3.25Å; R123-E168 VanDerWaalsContact NE-CD 3.35Å; R123-E168 IonicContact NE-OE1 3.23Å; R123-E168 PolarHBondContact NE-OE1 3.5Å; R123-E168 IonicContact NE-OE2 2.95Å; R123-E168 PolarHBondContact NE-OE2 2.89Å; R123-E168 IonicContact NH2-OE2 3.5Å; R123-E168 PolarHBondContact NH2-OE2 3.05Å; E168-G178 CarbonylContact O-C 3.59Å; E168-G178 WeakPolarHBondContact O-CA 3.29Å; E168-T179 PolarHBondContact O-N 3.41Å; E168-T179 VanDerWaalsContact O-N 3.07Å; E168-T179 WeakPolarHBondContact OE1-CB 3.43Å; E168-T179 PolarHBondContact OE1-OG1 2.82Å
169	S	76.9	Confident	74.7	Confident	54 Å²	54	44.6 Å²	44.6	38%	0.378	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	158.3	-178.9	59.9	0	0	0	0	111.5	E161 Y177	E161-S169 WeakPolarHBondContact OE1-CB 3.16Å; E161-S169 PolarHBondContact OE1-OG 2.68Å; S169-Y177 CarbonylContact C-O 3.41Å; S169-Y177 WeakPolarHBondContact CA-O 3.39Å
170	G	69	Low	74.6	Confident	10 Å²	10	42.7 Å²	42.7	10%	0.103	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.7	173.8	-178.9	0	0	0	0	0	113	Y176 Y177	G170-Y176 CarbonylContact O-C 3.55Å; G170-Y176 WeakPolarHBondContact O-CA 3.13Å; G170-Y177 PolarHBondContact N-O 3.45Å; G170-Y177 PolarHBondContact O-N 2.88Å
171	K	68.4	Low	74.9	Confident	97 Å²	97	45 Å²	45	42%	0.422	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	116.2	-173.5	-171.3	179.6	-173.3	165	0	112.5	G174 N175 Y176 L1086	K171-G174 WeakPolarHBondContact CE-O 3.33Å; K171-N175 CarbonylContact C-O 3.33Å; K171-N175 VanDerWaalsContact CA-O 3.28Å; K171-N175 WeakPolarHBondContact CA-O 3.41Å; K171-N175 WeakPolarHBondContact CG-O 3.09Å; K171-Y176 HydrophobicContact CB-CD1 4.09Å; K171-Y176 HydrophobicContact CB-CE1 4.23Å; K171-Y176 HydrophobicContact CD-CD1 4.26Å; K171-Y176 HydrophobicContact CD-CE1 3.66Å; K171-Y176 HydrophobicContact CD-CE2 4.44Å; K171-Y176 HydrophobicContact CG-CD1 4.1Å; K171-Y176 HydrophobicContact CG-CE1 4.02Å; K171-Y176 PolarHBondContact NZ-OH 2.92Å; K171-L1086 WeakPolarHBondContact O-CD2 3.46Å
172	F	57	Low	75.2	Confident	19 Å²	19	41.6 Å²	41.6	8%	0.083	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130.3	-179.9	-175.5	-110.5	0	0	0	112.6	G174 N175 Y177 L1086 G1096 E1097 P1098	F172-G174 PolarHBondContact O-N 3.33Å; F172-G174 VanDerWaalsContact O-N 3.07Å; F172-N175 PolarHBondContact N-O 3.44Å; F172-N175 PolarHBondContact O-N 3Å; F172-Y177 HydrophobicContact CB-CD2 3.97Å; F172-Y177 HydrophobicContact CB-CE2 3.71Å; F172-L1086 HydrophobicContact CB-CD2 3.55Å; F172-L1086 HydrophobicContact CD2-CD1 3.82Å; F172-L1086 HydrophobicContact CD2-CD2 3.66Å; F172-L1086 HydrophobicContact CD2-CG 4.32Å; F172-L1086 HydrophobicContact CG-CD2 4.07Å; F172-G1096 WeakPolarHBondContact CE2-O 3.49Å; F172-G1096 WeakPolarHBondContact CZ-O 3.45Å; F172-E1097 HydrophobicContact CE1-CB 4.18Å; F172-E1097 HydrophobicContact CE1-CG 4.06Å; F172-E1097 HydrophobicContact CZ-CB 4.25Å; F172-E1097 HydrophobicContact CZ-CG 4.11Å; F172-P1098 HydrophobicContact CB-CG 4.24Å; F172-P1098 HydrophobicContact CD1-CG 3.75Å; F172-P1098 HydrophobicContact CD2-CG 4.48Å; F172-P1098 HydrophobicContact CE1-CG 4.21Å; F172-P1098 HydrophobicContact CG-CG 3.89Å
173	K	68.8	Low	75.2	Confident	141 Å²	141	43.9 Å²	43.9	61%	0.613	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.1	42.3	-180	-70.8	-177.4	-179.4	174.1	0	113.1	N175 E1097	K173-N175 VanDerWaalsContact C-N 3.32Å; K173-N175 PolarHBondContact O-N 3.15Å; K173-N175 PolarHBondContact O-ND2 3.15Å; K173-E1097 IonicContact NZ-OE1 3.89Å; K173-E1097 PolarHBondContact NZ-OE1 3.41Å
174	G	65.3	Low	74.8	Confident	50 Å²	50	45 Å²	45	52%	0.515	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	87	-23.1	-178.6	0	0	0	0	0	116	K171 F172	K171-G174 WeakPolarHBondContact CE-O 3.33Å; F172-G174 PolarHBondContact O-N 3.33Å; F172-G174 VanDerWaalsContact O-N 3.07Å
175	N	72.5	Confident	74.3	Confident	46 Å²	46	45.4 Å²	45.4	25%	0.246	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	151.3	-179.1	-53.2	-78.8	0	0	0	111.5	R137 K171 F172 K173 Y177	R137-N175 WeakPolarHBondContact CA-OD1 3.39Å; R137-N175 HydrophobicContact CB-CB 4.09Å; K171-N175 CarbonylContact C-O 3.33Å; K171-N175 VanDerWaalsContact CA-O 3.28Å; K171-N175 WeakPolarHBondContact CA-O 3.41Å; K171-N175 WeakPolarHBondContact CG-O 3.09Å; F172-N175 PolarHBondContact N-O 3.44Å; F172-N175 PolarHBondContact O-N 3Å; K173-N175 VanDerWaalsContact C-N 3.32Å; K173-N175 PolarHBondContact O-N 3.15Å; K173-N175 PolarHBondContact O-ND2 3.15Å; N175-Y177 HydrophobicContact CB-CE2 3.91Å
176	Y	74.5	Confident	73.1	Confident	49 Å²	49	45.7 Å²	45.7	19%	0.192	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	151.9	175.8	-58.3	-94.8	0	0	0	111.4	T135 T136 I154 F157 F158 G170 K171	T135-Y176 WeakPolarHBondContact CA-O 3.22Å; T135-Y176 WeakPolarHBondContact CB-O 3.4Å; T135-Y176 PolarHBondContact OG1-O 3.05Å; T136-Y176 HydrophobicContact CG2-CD2 4.11Å; T136-Y176 HydrophobicContact CG2-CG 4.45Å; T136-Y176 PolarHBondContact N-O 3.5Å; T136-Y176 PolarHBondContact OG1-N 3.27Å; I154-Y176 HydrophobicContact CG2-CE2 4.29Å; F157-Y176 HydrophobicContact CD1-CD1 4.49Å; F157-Y176 HydrophobicContact CD1-CG 4.16Å; F157-Y176 HydrophobicContact CE1-CD1 4.28Å; F157-Y176 HydrophobicContact CE1-CG 4.24Å; F158-Y176 HydrophobicContact CE1-CD1 4.47Å; F158-Y176 HydrophobicContact CE1-CE1 4.11Å; F158-Y176 HydrophobicContact CE2-CE2 4.36Å; F158-Y176 HydrophobicContact CZ-CD1 4.28Å; F158-Y176 AromaticContact CZ-CE1 3.66Å; F158-Y176 HydrophobicContact CZ-CE1 3.66Å; F158-Y176 HydrophobicContact CZ-CE2 4.1Å; F158-Y176 AromaticContact CZ-CZ 3.57Å; G170-Y176 CarbonylContact O-C 3.55Å; G170-Y176 WeakPolarHBondContact O-CA 3.13Å; K171-Y176 HydrophobicContact CB-CD1 4.09Å; K171-Y176 HydrophobicContact CB-CE1 4.23Å; K171-Y176 HydrophobicContact CD-CD1 4.26Å; K171-Y176 HydrophobicContact CD-CE1 3.66Å; K171-Y176 HydrophobicContact CD-CE2 4.44Å; K171-Y176 HydrophobicContact CG-CD1 4.1Å; K171-Y176 HydrophobicContact CG-CE1 4.02Å; K171-Y176 PolarHBondContact NZ-OH 2.92Å
177	Y	77.8	Confident	71.7	Confident	12 Å²	12	51.3 Å²	51.3	5%	0.047	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	141.7	179.2	-66.9	-100.3	0	0	0	108.7	G134 T135 R137 Y149 F157 S169 G170 F172 N175 F1100	G134-Y177 CarbonylContact O-C 3.58Å; G134-Y177 VanDerWaalsContact O-CA 3.3Å; G134-Y177 WeakPolarHBondContact O-CA 3.41Å; T135-Y177 HydrophobicContact CG2-CE1 4.45Å; T135-Y177 WeakPolarHBondContact OG1-CD1 3.18Å; T135-Y177 WeakPolarHBondContact OG1-CE1 3.38Å; R137-Y177 VanDerWaalsContact CD-OH 3.32Å; R137-Y177 WeakPolarHBondContact CD-OH 3.21Å; R137-Y177 PolarHBondContact NE-OH 3.28Å; Y149-Y177 HydrophobicContact CE1-CD1 4.41Å; Y149-Y177 HydrophobicContact CE1-CE1 4.15Å; F157-Y177 VanDerWaalsContact CE2-C 3.49Å; F157-Y177 WeakPolarHBondContact CZ-O 3.21Å; S169-Y177 CarbonylContact C-O 3.41Å; S169-Y177 WeakPolarHBondContact CA-O 3.39Å; G170-Y177 PolarHBondContact N-O 3.45Å; G170-Y177 PolarHBondContact O-N 2.88Å; F172-Y177 HydrophobicContact CB-CD2 3.97Å; F172-Y177 HydrophobicContact CB-CE2 3.71Å; N175-Y177 HydrophobicContact CB-CE2 3.91Å; Y177-F1100 HydrophobicContact CD1-CE2 4.27Å
178	G	78.7	Confident	70.2	Confident	2 Å²	2	59.7 Å²	59.7	2%	0.021	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	139.1	176.6	0	0	0	0	0	113.3	C133 G134 E168 P180	C133-G178 CarbonylContact C-O 3.32Å; C133-G178 VanDerWaalsContact CA-O 3.26Å; C133-G178 WeakPolarHBondContact CA-O 3.11Å; G134-G178 PolarHBondContact N-O 3.32Å; G134-G178 PolarHBondContact O-N 3.15Å; E168-G178 CarbonylContact O-C 3.59Å; E168-G178 WeakPolarHBondContact O-CA 3.29Å; G178-P180 VanDerWaalsContact O-CD 3.31Å; G178-P180 WeakPolarHBondContact O-CD 3.38Å
179	T	81.4	Confident	69.4	Low	2 Å²	2	60.2 Å²	60.2	1%	0.012	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	114	-175.9	-57.8	0	0	0	0	109.4	L126 Y127 L167 E168	L126-T179 HydrophobicContact CB-CG2 4.4Å; L126-T179 HydrophobicContact CD1-CG2 3.99Å; Y127-T179 HydrophobicContact CE1-CG2 3.83Å; Y127-T179 PolarHBondContact OH-OG1 3.37Å; L167-T179 PolarHBondContact N-O 3.04Å; E168-T179 PolarHBondContact O-N 3.41Å; E168-T179 VanDerWaalsContact O-N 3.07Å; E168-T179 WeakPolarHBondContact OE1-CB 3.43Å; E168-T179 PolarHBondContact OE1-OG1 2.82Å
180	P	79.8	Confident	69.5	Low	26 Å²	26	62.6 Å²	62.6	17%	0.169	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	145	178.4	28.9	-33.3	0	0	0	110.9	A130 L166 G178	A130-P180 HydrophobicContact CB-CG 4.28Å; L166-P180 HydrophobicContact CD2-CB 4.29Å; G178-P180 VanDerWaalsContact O-CD 3.31Å; G178-P180 WeakPolarHBondContact O-CD 3.38Å
181	R	83.5	Confident	70.1	Confident	104 Å²	104	65 Å²	65	39%	0.392	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-61.8	127.2	171.6	-178.7	159.6	60.5	112	-4.2	109	A37 D38 A165 L167 V183	A37-R181 WeakPolarHBondContact O-CG 3.4Å; D38-R181 WeakPolarHBondContact O-CD 3.2Å; D38-R181 PolarHBondContact O-NH1 2.84Å; A165-R181 VanDerWaalsContact O-CB 3.3Å; A165-R181 WeakPolarHBondContact O-CB 3.46Å; A165-R181 PolarHBondContact O-N 2.67Å; L167-R181 HydrophobicContact CD2-CB 4.04Å; L167-R181 HydrophobicContact CD2-CG 4.05Å; L167-R181 HydrophobicContact CG-CB 3.96Å; L167-R181 HydrophobicContact CG-CG 4.4Å; R181-V183 PolarHBondContact O-N 3.01Å
182	P	80.7	Confident	70.9	Confident	5 Å²	5	61.1 Å²	61.1	3%	0.032	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-54.5	136.9	175.1	-27	35.3	0	0	0	111.1	A37 D38 T71 L126 R129 A130	A37-P182 HydrophobicContact CB-CG 4.05Å; D38-P182 WeakPolarHBondContact CA-O 3.44Å; D38-P182 WeakPolarHBondContact CB-O 3.3Å; T71-P182 HydrophobicContact CG2-CB 3.73Å; T71-P182 HydrophobicContact CG2-CG 4.4Å; L126-P182 HydrophobicContact CD2-CG 3.69Å; R129-P182 HydrophobicContact CB-CB 4.28Å; A130-P182 HydrophobicContact CB-CG 4.4Å
183	V	71.8	Confident	72.3	Confident	129 Å²	129	62.5 Å²	62.5	78%	0.782	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-64	139	172.1	-175.4	0	0	0	0	108.5	R181 I185	R181-V183 PolarHBondContact O-N 3.01Å; V183-I185 PolarHBondContact O-N 3.2Å
184	H	67.5	Low	73.2	Confident	106 Å²	106	57.1 Å²	57.1	49%	0.491	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-57.7	130.9	175.4	-173.3	68.7	0	0	0	110.2	D38 Y39 G186	D38-H184 IonicContact OD2-CE1 3.76Å; D38-H184 IonicContact OD2-CG 2.67Å; D38-H184 IonicContact OD2-ND1 3.55Å; D38-H184 PolarHBondContact OD2-ND1 2.85Å; Y39-H184 AromaticContact CE2-ND1 3.99Å; Y39-H184 AromaticContact CZ-CE1 3.96Å; Y39-H184 PolarHBondContact OH-CE1 2.68Å; H184-G186 PolarHBondContact O-N 3.03Å
185	I	63.9	Low	74.1	Confident	28 Å²	28	59.7 Å²	59.7	14%	0.144	33%	0.327	C	S	.	.			trans	-70.4	105	-174.3	-66.3	-173.9	0	0	0	109.4	T71 D74 V183 S189	T71-I185 HydrophobicContact CG2-CD1 4.17Å; T71-I185 HydrophobicContact CG2-CG1 4.29Å; T71-I185 WeakPolarHBondContact OG1-CD1 3.34Å; D74-I185 WeakPolarHBondContact OD1-CD1 3.4Å; D74-I185 WeakPolarHBondContact OD2-CD1 3.36Å; V183-I185 PolarHBondContact O-N 3.2Å; I185-S189 WeakPolarHBondContact CG2-O 3.43Å; I185-S189 WeakPolarHBondContact CG2-OG 3.33Å
186	G	54.7	Low	74.7	Confident	33 Å²	33	62.1 Å²	62.1	34%	0.34	34%	0.338	S	S	.	.			trans	-69.7	162.4	168.9	0	0	0	0	0	112.1	H184 E188 S189	H184-G186 PolarHBondContact O-N 3.03Å; G186-E188 PolarHBondContact O-N 2.86Å; G186-E188 VanDerWaalsContact O-N 3.09Å; G186-S189 PolarHBondContact O-N 2.88Å; G186-S189 VanDerWaalsContact O-N 3.08Å; G186-S189 PolarHBondContact O-OG 3.44Å
187	P	52.3	Low	75.2	Confident	130 Å²	130	59.8 Å²	59.8	84%	0.844	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.4	-174.8	24.8	-35.1	0	0	0	114	S189	P187-S189 PolarHBondContact O-N 2.93Å
188	E	50.5	Low	75.3	Confident	181 Å²	181	64 Å²	64	85%	0.846	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-12.8	176.8	-57.7	-54.5	137.8	0	0	114.7	G186	G186-E188 PolarHBondContact O-N 2.86Å; G186-E188 VanDerWaalsContact O-N 3.09Å
189	S	63.6	Low	75.3	Confident	41 Å²	41	66.8 Å²	66.8	29%	0.287	36%	0.359	S	S	.	.	S	Bend	trans	-119.6	112.2	-177.3	43.5	0	0	0	0	111	I185 G186 P187	I185-S189 WeakPolarHBondContact CG2-O 3.43Å; I185-S189 WeakPolarHBondContact CG2-OG 3.33Å; G186-S189 PolarHBondContact O-N 2.88Å; G186-S189 VanDerWaalsContact O-N 3.08Å; G186-S189 PolarHBondContact O-OG 3.44Å; P187-S189 PolarHBondContact O-N 2.93Å
190	P	77.4	Confident	75	Confident	104 Å²	104	69.1 Å²	69.1	68%	0.675	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-64.3	142.5	-176.9	25.8	-34	0	0	0	111	R129	R129-P190 PolarHBondContact NH2-O 3.4Å
191	P	82.9	Confident	74.3	Confident	60 Å²	60	68.5 Å²	68.5	39%	0.39	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-72.5	143.5	177.8	31.8	-35.7	0	0	0	110.7	G73 T193	G73-P191 WeakPolarHBondContact O-CB 3.34Å; P191-T193 PolarHBondContact O-N 2.75Å
192	I	84.6	Confident	73.4	Confident	15 Å²	15	69.5 Å²	69.5	8%	0.077	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-63.7	126.8	-178.9	-64.9	166.2	0	0	0	109.7	D74 G77 V78 L128 E196 H197 L200	D74-I192 HydrophobicContact CB-CB 4.29Å; D74-I192 HydrophobicContact CB-CD1 4.49Å; D74-I192 WeakPolarHBondContact OD1-CG1 3.31Å; D74-I192 PolarHBondContact OD1-N 2.98Å; G77-I192 CarbonylContact C-O 3.58Å; G77-I192 VanDerWaalsContact C-O 3.32Å; V78-I192 PolarHBondContact N-O 3.1Å; V78-I192 VanDerWaalsContact N-O 3.16Å; L128-I192 HydrophobicContact CB-CD1 4.06Å; L128-I192 HydrophobicContact CD1-CD1 4.31Å; I192-E196 HydrophobicContact CG2-CB 4.12Å; I192-H197 HydrophobicContact CG2-CB 3.75Å; I192-L200 HydrophobicContact CG2-CD1 4.35Å
193	T	87	Confident	72.1	Confident	48 Å²	48	73.6 Å²	73.6	29%	0.294	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-79.6	160.5	174.2	65.5	0	0	0	0	112.5	S81 P191 Q195 E196 H197	S81-T193 VanDerWaalsContact OG-CA 3.3Å; S81-T193 WeakPolarHBondContact OG-CA 3.41Å; S81-T193 WeakPolarHBondContact OG-CB 3.48Å; P191-T193 PolarHBondContact O-N 2.75Å; T193-Q195 PolarHBondContact O-N 3.02Å; T193-E196 VanDerWaalsContact CB-OE2 3.29Å; T193-E196 WeakPolarHBondContact CB-OE2 3.32Å; T193-E196 WeakPolarHBondContact CG2-OE2 3.33Å; T193-E196 PolarHBondContact N-OE2 2.83Å; T193-E196 PolarHBondContact O-N 3.1Å; T193-E196 VanDerWaalsContact OG1-CD 3.23Å; T193-E196 VanDerWaalsContact OG1-CG 3.25Å; T193-E196 WeakPolarHBondContact OG1-CG 3.41Å; T193-E196 PolarHBondContact OG1-N 3.19Å; T193-E196 PolarHBondContact OG1-OE2 2.85Å; T193-H197 WeakPolarHBondContact O-CB 3.12Å; T193-H197 PolarHBondContact O-N 3.15Å
194	Y	86.7	Confident	71.2	Confident	29 Å²	29	68.7 Å²	68.7	11%	0.114	36%	0.359	C	S	.	.	H	α-helix	trans	-53.1	-40.9	177.3	172.1	-94.8	0	0	0	112.7	G63 T65 V78 S81 C82 P83 R198	G63-Y194 PolarHBondContact O-OH 3.1Å; T65-Y194 VanDerWaalsContact OG1-CE2 3.28Å; T65-Y194 WeakPolarHBondContact OG1-CE2 3.29Å; V78-Y194 HydrophobicContact CG1-CD2 4.07Å; S81-Y194 PolarHBondContact OG-N 2.88Å; C82-Y194 HydrophobicContact CB-CD2 4.18Å; C82-Y194 HydrophobicContact CB-CG 4.33Å; P83-Y194 HydrophobicContact CG-CE1 4.26Å; Y194-R198 VanDerWaalsContact CZ-CD 3.49Å; Y194-R198 WeakPolarHBondContact O-CG 3.49Å; Y194-R198 PolarHBondContact O-N 3.41Å; Y194-R198 VanDerWaalsContact O-N 3.13Å; Y194-R198 WeakPolarHBondContact OH-CD 3.21Å
195	Q	84.8	Confident	70.4	Confident	103 Å²	103	69.7 Å²	69.7	48%	0.481	36%	0.359	S	S	.	.	H	α-helix	trans	-76.7	-38	-178.8	-175	65.2	-2.2	0	0	112.4	T193 R198 N199	T193-Q195 PolarHBondContact O-N 3.02Å; Q195-R198 PolarHBondContact O-N 2.98Å; Q195-N199 PolarHBondContact O-N 2.97Å; Q195-N199 PolarHBondContact O-ND2 3.38Å
196	E	84.6	Confident	69.2	Low	98 Å²	98	72.3 Å²	72.3	46%	0.458	38%	0.377	S	S	.	.	H	α-helix	trans	-63.1	-45.8	173.2	-71.8	165.1	134.8	0	0	110.9	I192 T193 R198 N199 L200	I192-E196 HydrophobicContact CG2-CB 4.12Å; T193-E196 VanDerWaalsContact CB-OE2 3.29Å; T193-E196 WeakPolarHBondContact CB-OE2 3.32Å; T193-E196 WeakPolarHBondContact CG2-OE2 3.33Å; T193-E196 PolarHBondContact N-OE2 2.83Å; T193-E196 PolarHBondContact O-N 3.1Å; T193-E196 VanDerWaalsContact OG1-CD 3.23Å; T193-E196 VanDerWaalsContact OG1-CG 3.25Å; T193-E196 WeakPolarHBondContact OG1-CG 3.41Å; T193-E196 PolarHBondContact OG1-N 3.19Å; T193-E196 PolarHBondContact OG1-OE2 2.85Å; E196-R198 VanDerWaalsContact C-N 3.34Å; E196-R198 PolarHBondContact O-N 2.9Å; E196-N199 CarbonylContact O-C 3.57Å; E196-N199 WeakPolarHBondContact O-CA 3.44Å; E196-N199 WeakPolarHBondContact O-CB 3.17Å; E196-N199 PolarHBondContact O-N 3.38Å; E196-L200 WeakPolarHBondContact O-CG 3.37Å; E196-L200 PolarHBondContact O-N 2.78Å
197	H	84.5	Confident	68.2	Low	0 Å²	0	77.3 Å²	77.3	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-58.3	-44.9	177	-166.7	100.5	0	0	0	112	T65 M70 V78 N125 L128 I192 T193 N199 L200 L201	T65-H197 HydrophobicContact CG2-CB 4.41Å; T65-H197 WeakPolarHBondContact CG2-CD2 3.47Å; M70-H197 WeakPolarHBondContact CE-CE1 3.2Å; M70-H197 WeakPolarHBondContact CE-ND1 3.17Å; M70-H197 VanDerWaalsContact CG-NE2 3.28Å; M70-H197 WeakPolarHBondContact CG-NE2 3.32Å; M70-H197 PolarHBondContact SD-CE1 2.67Å; M70-H197 PolarHBondContact SD-ND1 3.4Å; M70-H197 PolarHBondContact SD-NE2 2.82Å; V78-H197 HydrophobicContact CG2-CB 4.2Å; N125-H197 PolarHBondContact ND2-NE2 3.35Å; N125-H197 PolarHBondContact OD1-NE2 3.17Å; L128-H197 WeakPolarHBondContact CD1-NE2 3.39Å; I192-H197 HydrophobicContact CG2-CB 3.75Å; T193-H197 WeakPolarHBondContact O-CB 3.12Å; T193-H197 PolarHBondContact O-N 3.15Å; H197-N199 PolarHBondContact O-N 3.03Å; H197-L200 PolarHBondContact O-N 2.73Å; H197-L201 PolarHBondContact O-N 2.67Å
198	R	80.9	Confident	67.4	Low	99 Å²	99	74 Å²	74	37%	0.374	37%	0.365	S	S	.	.	H	α-helix	trans	-61.8	-20.3	173.8	-82.4	-176.6	59.7	79.4	-3.1	114.2	T65 Y194 Q195 E196 R202	T65-R198 WeakPolarHBondContact OG1-CG 3.43Å; Y194-R198 VanDerWaalsContact CZ-CD 3.49Å; Y194-R198 WeakPolarHBondContact O-CG 3.49Å; Y194-R198 PolarHBondContact O-N 3.41Å; Y194-R198 VanDerWaalsContact O-N 3.13Å; Y194-R198 WeakPolarHBondContact OH-CD 3.21Å; Q195-R198 PolarHBondContact O-N 2.98Å; E196-R198 VanDerWaalsContact C-N 3.34Å; E196-R198 PolarHBondContact O-N 2.9Å; R198-R202 WeakPolarHBondContact O-CG 3.43Å; R198-R202 PolarHBondContact O-NE 3.07Å
199	N	78.3	Confident	66.5	Low	62 Å²	62	72.9 Å²	72.9	33%	0.332	36%	0.358	S	S	.	.	H	α-helix	trans	-90.8	-42.3	175.3	-65.7	-18.1	0	0	0	111.1	Q195 E196 H197 R202 N203	Q195-N199 PolarHBondContact O-N 2.97Å; Q195-N199 PolarHBondContact O-ND2 3.38Å; E196-N199 CarbonylContact O-C 3.57Å; E196-N199 WeakPolarHBondContact O-CA 3.44Å; E196-N199 WeakPolarHBondContact O-CB 3.17Å; E196-N199 PolarHBondContact O-N 3.38Å; H197-N199 PolarHBondContact O-N 3.03Å; N199-R202 WeakPolarHBondContact O-CB 3.38Å; N199-R202 PolarHBondContact O-N 3.49Å; N199-R202 VanDerWaalsContact O-N 3.14Å; N199-R202 PolarHBondContact OD1-NH2 3.09Å; N199-N203 PolarHBondContact O-N 2.74Å; N199-N203 PolarHBondContact O-OD1 2.7Å
200	L	74.6	Confident	64.8	Low	51 Å²	51	74.5 Å²	74.5	27%	0.267	37%	0.369	S	S	.	.	H	α-helix	trans	-61.7	-47.1	178.5	-68.5	164	0	0	0	111.9	L128 I192 E196 H197 R202 N203 F204	L128-L200 HydrophobicContact CD2-CB 3.74Å; L128-L200 HydrophobicContact CD2-CD1 4.09Å; L128-L200 HydrophobicContact CD2-CG 4.37Å; I192-L200 HydrophobicContact CG2-CD1 4.35Å; E196-L200 WeakPolarHBondContact O-CG 3.37Å; E196-L200 PolarHBondContact O-N 2.78Å; H197-L200 PolarHBondContact O-N 2.73Å; L200-R202 VanDerWaalsContact C-N 3.28Å; L200-R202 PolarHBondContact O-N 2.75Å; L200-N203 PolarHBondContact O-N 3.24Å; L200-N203 VanDerWaalsContact O-N 3.13Å; L200-F204 PolarHBondContact O-N 2.8Å
201	L	66.8	Low	62.6	Low	12 Å²	12	73 Å²	73	6%	0.063	36%	0.355	C	S	.	.	H	α-helix	trans	-64.4	-28.8	174.1	-75.8	-173	0	0	0	113.6	P66 E124 H197 R205	P66-L201 HydrophobicContact CG-CD1 4.03Å; E124-L201 HydrophobicContact CB-CD2 4.22Å; H197-L201 PolarHBondContact O-N 2.67Å; L201-R205 WeakPolarHBondContact O-CG 3.28Å; L201-R205 PolarHBondContact O-N 3.45Å
202	R	63.5	Low	60.2	Low	125 Å²	125	72.7 Å²	72.7	47%	0.472	35%	0.354	S	S	.	.	H	α-helix	trans	-70.1	-41.1	172.2	-85.6	-173.6	-81.4	178.8	0.6	111.2	R198 N199 L200 R205 T206	R198-R202 WeakPolarHBondContact O-CG 3.43Å; R198-R202 PolarHBondContact O-NE 3.07Å; N199-R202 WeakPolarHBondContact O-CB 3.38Å; N199-R202 PolarHBondContact O-N 3.49Å; N199-R202 VanDerWaalsContact O-N 3.14Å; N199-R202 PolarHBondContact OD1-NH2 3.09Å; L200-R202 VanDerWaalsContact C-N 3.28Å; L200-R202 PolarHBondContact O-N 2.75Å; R202-R205 PolarHBondContact O-N 3.41Å; R202-T206 PolarHBondContact O-N 3.27Å; R202-T206 PolarHBondContact O-OG1 2.78Å
203	N	53.7	Low	57.6	Low	91 Å²	91	77.8 Å²	77.8	49%	0.487	38%	0.381	S	S	.	.	H	α-helix	trans	-71.6	-36.2	-178.7	-67.4	-12.3	0	0	0	113	N199 L200 T206 R207	N199-N203 PolarHBondContact O-N 2.74Å; N199-N203 PolarHBondContact O-OD1 2.7Å; L200-N203 PolarHBondContact O-N 3.24Å; L200-N203 VanDerWaalsContact O-N 3.13Å; N203-T206 PolarHBondContact O-OG1 2.94Å; N203-R207 PolarHBondContact O-N 3.39Å; N203-R207 VanDerWaalsContact O-N 3.08Å
204	F	53.2	Low	55.1	Low	26 Å²	26	81.6 Å²	81.6	11%	0.114	40%	0.399	C	S	.	.	H	α-helix	trans	-55.1	-54.1	167.9	-96.5	-58.8	0	0	0	110.7	L128 L200 T206 R207 S208 I1103	L128-F204 HydrophobicContact CD2-CD2 4.28Å; L128-F204 HydrophobicContact CD2-CE2 3.69Å; L128-F204 HydrophobicContact CG-CE2 4.27Å; L200-F204 PolarHBondContact O-N 2.8Å; F204-T206 PolarHBondContact O-N 2.99Å; F204-R207 PolarHBondContact O-N 3.4Å; F204-S208 PolarHBondContact O-N 3.08Å; F204-S208 PolarHBondContact O-OG 3.29Å; F204-S208 VanDerWaalsContact O-OG 3.11Å; F204-I1103 HydrophobicContact CD1-CD1 3.89Å; F204-I1103 HydrophobicContact CD1-CG1 4.19Å; F204-I1103 HydrophobicContact CD2-CD1 3.67Å; F204-I1103 HydrophobicContact CE1-CD1 3.64Å; F204-I1103 HydrophobicContact CE1-CG1 3.76Å; F204-I1103 HydrophobicContact CE2-CD1 3.44Å; F204-I1103 VanDerWaalsContact CE2-CD1 3.44Å; F204-I1103 HydrophobicContact CE2-CG1 4.4Å; F204-I1103 HydrophobicContact CG-CD1 3.9Å; F204-I1103 HydrophobicContact CZ-CD1 3.41Å; F204-I1103 VanDerWaalsContact CZ-CD1 3.41Å; F204-I1103 HydrophobicContact CZ-CG1 3.88Å
205	R	50.1	Low	52.7	Low	127 Å²	127	86.4 Å²	86.4	48%	0.479	42%	0.423	S	S	.	.	H	α-helix	trans	-72.3	-10.5	-173.1	-66.5	174.9	-175.5	168.2	5.1	114.6	E124 L201 R202	E124-R205 IonicContact OE2-CZ 3.36Å; E124-R205 VanDerWaalsContact OE2-CZ 3.31Å; E124-R205 IonicContact OE2-NE 3.49Å; E124-R205 PolarHBondContact OE2-NE 3.37Å; E124-R205 VanDerWaalsContact OE2-NE 3.08Å; E124-R205 IonicContact OE2-NH2 3.62Å; E124-R205 PolarHBondContact OE2-NH2 3.38Å; L201-R205 WeakPolarHBondContact O-CG 3.28Å; L201-R205 PolarHBondContact O-N 3.45Å; R202-R205 PolarHBondContact O-N 3.41Å
206	T	39.2	Very low	50.3	Low	84 Å²	84	90.2 Å²	90.2	52%	0.515	44%	0.438	S	S	.	.	H	α-helix	trans	-95.1	-44.6	170.3	52	0	0	0	0	112.5	R202 N203 F204 S208 K209	R202-T206 PolarHBondContact O-N 3.27Å; R202-T206 PolarHBondContact O-OG1 2.78Å; N203-T206 PolarHBondContact O-OG1 2.94Å; F204-T206 PolarHBondContact O-N 2.99Å; T206-S208 VanDerWaalsContact C-N 3.31Å; T206-S208 PolarHBondContact O-N 3.5Å; T206-K209 PolarHBondContact O-N 3.25Å; T206-K209 VanDerWaalsContact O-N 3.14Å
207	R	33.5	Very low	47.9	Very low	138 Å²	138	89.7 Å²	89.7	52%	0.521	45%	0.45	S	S	.	.	H	α-helix	trans	-58.6	-38.4	179	-85.5	-170.9	168.7	-154.8	-5.3	113.4	N203 F204 K209 S210 V1102	N203-R207 PolarHBondContact O-N 3.39Å; N203-R207 VanDerWaalsContact O-N 3.08Å; F204-R207 PolarHBondContact O-N 3.4Å; R207-K209 PolarHBondContact O-N 3.31Å; R207-S210 PolarHBondContact O-N 2.92Å; R207-V1102 PolarHBondContact NH1-O 3.44Å
208	S	35.9	Very low	45.5	Very low	61 Å²	61	93.5 Å²	93.5	43%	0.427	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-9.6	179.1	-51.1	0	0	0	0	114.8	F204 T206	F204-S208 PolarHBondContact O-N 3.08Å; F204-S208 PolarHBondContact O-OG 3.29Å; F204-S208 VanDerWaalsContact O-OG 3.11Å; T206-S208 VanDerWaalsContact C-N 3.31Å; T206-S208 PolarHBondContact O-N 3.5Å
209	K	31.2	Very low	43.2	Very low	157 Å²	157	96.1 Å²	96.1	68%	0.683	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-9.6	174.1	-63.9	-177.2	178.2	-178.7	0	114	T206 R207 S212	T206-K209 PolarHBondContact O-N 3.25Å; T206-K209 VanDerWaalsContact O-N 3.14Å; R207-K209 PolarHBondContact O-N 3.31Å; K209-S212 PolarHBondContact O-OG 3.28Å
210	S	28.5	Very low	41.1	Very low	75 Å²	75	102.6 Å²	102.6	52%	0.524	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-38.7	-176	-55.8	0	0	0	0	111.9	R207 N213	R207-S210 PolarHBondContact O-N 2.92Å; S210-N213 PolarHBondContact O-N 3.04Å
211	L	29.7	Very low	39.2	Very low	73 Å²	73	102.9 Å²	102.9	38%	0.382	55%	0.546	S	S	.	.	G	3₁₀ helix	trans	-74.8	-29.4	-172	-65.5	168.5	0	0	0	113	N213 L214 Y1101	L211-N213 PolarHBondContact O-N 2.64Å; L211-L214 PolarHBondContact O-N 2.98Å; L211-Y1101 HydrophobicContact CB-CE1 3.91Å; L211-Y1101 HydrophobicContact CD1-CD1 3.38Å; L211-Y1101 HydrophobicContact CD1-CE1 3.48Å; L211-Y1101 VanDerWaalsContact CD1-CE1 3.48Å; L211-Y1101 HydrophobicContact CD1-CG 3.95Å; L211-Y1101 HydrophobicContact CG-CE1 4.32Å
212	S	32.3	Very low	37.4	Very low	53 Å²	53	113.9 Å²	113.9	37%	0.371	59%	0.587	S	S	.	*	G	3₁₀ helix	trans	-60.3	-14	173.5	57.5	0	0	0	0	114.9	K209	K209-S212 PolarHBondContact O-OG 3.28Å
213	N	30.5	Very low	35.6	Very low	121 Å²	121	116.2 Å²	116.2	65%	0.647	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-101.5	-12.4	-175.6	-59.5	0.5	0	0	0	112.5	S210 L211	S210-N213 PolarHBondContact O-N 3.04Å; L211-N213 PolarHBondContact O-N 2.64Å
214	L	34.6	Very low	34.3	Very low	129 Å²	129	115.2 Å²	115.2	68%	0.675	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	-43.8	178.4	-171.9	65.2	0	0	0	111.2	L211 K216 A217	L211-L214 PolarHBondContact O-N 2.98Å; L214-K216 PolarHBondContact O-N 2.77Å; L214-A217 PolarHBondContact O-N 2.89Å
215	E	36.6	Very low	33.3	Very low	129 Å²	129	122.3 Å²	122.3	60%	0.603	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-60.7	-35	177.1	-168.8	171.8	-157.5	0	0	111.8	A217 A218	E215-A217 PolarHBondContact O-N 2.95Å; E215-A218 PolarHBondContact O-N 3.05Å; E215-A218 VanDerWaalsContact O-N 3.12Å
216	K	34.8	Very low	32.3	Very low	183 Å²	183	123.9 Å²	123.9	80%	0.796	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-72.2	6.1	178.6	-149	-141.1	172.9	-132	0	114.9	L214	L214-K216 PolarHBondContact O-N 2.77Å
217	A	34.7	Very low	31.7	Very low	87 Å²	87	126.5 Å²	126.5	72%	0.719	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-113.9	0.3	173	0	0	0	0	0	113.1	L214 E215	L214-A217 PolarHBondContact O-N 2.89Å; E215-A217 PolarHBondContact O-N 2.95Å
218	A	33.4	Very low	31.5	Very low	80 Å²	80	127.6 Å²	127.6	66%	0.661	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	-20	-176.1	0	0	0	0	0	114.4	E215	E215-A218 PolarHBondContact O-N 3.05Å; E215-A218 VanDerWaalsContact O-N 3.12Å
219	D	32.3	Very low	31	Very low	155 Å²	155	128.6 Å²	128.6	83%	0.829	72%	0.718	S	S	*	*	S	Bend	trans	-99.7	15.7	-165.8	-150	26.9	0	0	0	114.5
220	E	34.3	Very low	30.7	Very low	198 Å²	198	125 Å²	125	93%	0.925	72%	0.724	S	S	*	*	S	Bend	trans	-109.1	65	169	-72.8	-173.7	-178.2	0	0	109.6
221	G	34.5	Very low	30.5	Very low	56 Å²	56	127.1 Å²	127.1	58%	0.577	74%	0.739	S	S	*	*			trans	-160.5	42.4	-161.5	0	0	0	0	0	119.8
222	R	28.7	Very low	30.2	Very low	244 Å²	244	128.5 Å²	128.5	92%	0.921	76%	0.762	S	S	*	*			trans	174.5	127.4	140	-95	147.2	-167.1	-109.2	-2	114.4
223	N	25.1	Very low	29.8	Very low	174 Å²	174	129.4 Å²	129.4	93%	0.93	78%	0.779	S	S	*	*			trans	-150.8	142.7	149.4	-99.3	-26.6	0	0	0	106.2
224	G	27.6	Very low	29.4	Very low	70 Å²	70	130.3 Å²	130.3	72%	0.722	79%	0.789	S	S	*	*			trans	110.5	122.7	-172.3	0	0	0	0	0	112.1
225	E	31.6	Very low	28.8	Very low	174 Å²	174	129.2 Å²	129.2	81%	0.813	79%	0.792	S	S	*	*			trans	-93.5	153.5	-179.4	-65.7	127.2	117.9	0	0	111.5
226	D	28.6	Very low	28.4	Very low	160 Å²	160	130.6 Å²	130.6	86%	0.856	80%	0.802	S	S	*	*				171.8	136.6	115.5	-85.6	-21.3	0	0	0	114.7
227	D	27.8	Very low	28.5	Very low	140 Å²	140	126.9 Å²	126.9	75%	0.749	80%	0.796	S	S	*	*			trans	54.9	133.7	151.6	-102	-10.5	0	0	0	127.4
228	L	28.3	Very low	28.1	Very low	161 Å²	161	130.4 Å²	130.4	84%	0.843	80%	0.802	S	S	*	*			trans	61.2	123	147	-58.2	171	0	0	0	123.4
229	G	25.2	Very low	27.7	Very low	82 Å²	82	129.9 Å²	129.9	85%	0.845	80%	0.804	S	S	*	*				134.2	80.3	127.7	0	0	0	0	0	122.1
230	G	25	Very low	27.4	Very low	80 Å²	80	130 Å²	130	83%	0.825	80%	0.799	S	S	*	*				77	88.8	127.3	0	0	0	0	0	124.3
231	S	25.2	Very low	26.9	Very low	120 Å²	120	131.4 Å²	131.4	84%	0.839	80%	0.796	S	S	*	*				68.5	118.9	125.8	-148.5	0	0	0	0	125.2
232	A	23.3	Very low	26.4	Very low	103 Å²	103	132.4 Å²	132.4	85%	0.851	79%	0.794	S	S	*	*			trans	64.8	141.6	137.5	0	0	0	0	0	123.7
233	G	23	Very low	27.5	Very low	72 Å²	72	124.5 Å²	124.5	74%	0.742	78%	0.775	S	S	*	*			trans	176.8	11.9	173	0	0	0	0	0	126.7
234	V	22.9	Very low	27.4	Very low	140 Å²	140	119.5 Å²	119.5	85%	0.848	76%	0.764	S	S	*	*			trans	48.4	113.4	151.5	-177	0	0	0	0	122.9
235	S	21.9	Very low	27.4	Very low	106 Å²	106	128.3 Å²	128.3	74%	0.741	78%	0.775	S	S	*	*			trans	69.8	124.3	139.4	-58.7	0	0	0	0	128
236	I	27.2	Very low	27.8	Very low	158 Å²	158	125.2 Å²	125.2	81%	0.81	77%	0.77	S	S	*	*			trans	-19.4	171.6	139.5	31.1	169.4	0	0	0	120.4
237	P	37.4	Very low	27.6	Very low	104 Å²	104	129.2 Å²	129.2	68%	0.675	77%	0.774	S	S	*	*			cis	-151.9	172.5	24.1	39.2	-15.1	0	0	0	122.8
238	I	26.7	Very low	27.4	Very low	162 Å²	162	126.6 Å²	126.6	83%	0.831	77%	0.771	S	S	*	*			trans	62.6	142.7	137.2	-68.8	164.4	0	0	0	125.8
239	G	25.4	Very low	27.3	Very low	69 Å²	69	124.2 Å²	124.2	71%	0.711	77%	0.768	S	S	*	*			trans	178.3	140.1	156.1	0	0	0	0	0	116.5
240	H	25.7	Very low	27.4	Very low	156 Å²	156	125.1 Å²	125.1	72%	0.722	76%	0.761	S	S	*	*			trans	-134.1	146.2	-171.1	-77.4	-132.9	0	0	0	116.2
241	R	23.9	Very low	27.5	Very low	228 Å²	228	126.7 Å²	126.7	86%	0.86	76%	0.76	S	S	*	*				159.5	175	125.8	-88.6	-174	171	-160.3	-3.4	115.2	R1110	R241-R1110 PolarHBondContact O-NH1 2.84Å
242	S	22.8	Very low	27.7	Very low	78 Å²	78	123.3 Å²	123.3	55%	0.545	74%	0.744	S	S	.	*			trans	-150.5	-164	176.3	-47.2	0	0	0	0	108	R1110	S242-R1110 PolarHBondContact OG-NH1 3.35Å
243	P	52.2	Low	28	Very low	78 Å²	78	124.7 Å²	124.7	51%	0.506	74%	0.742	S	S	.	*			cis	-137.8	-170.7	-10.1	40	-19.9	0	0	0	114.8	R1110 L1111	P243-R1110 WeakPolarHBondContact CG-O 3.48Å; P243-L1111 HydrophobicContact CG-CD1 3.89Å; P243-L1111 HydrophobicContact CG-CG 3.74Å
244	G	22.9	Very low	28.2	Very low	69 Å²	69	130.5 Å²	130.5	71%	0.711	75%	0.749	S	S	*	*			trans	158.3	92.7	156.7	0	0	0	0	0	122.3
245	R	28.8	Very low	28.5	Very low	254 Å²	254	127.7 Å²	127.7	96%	0.958	75%	0.749	S	S	*	*			trans	53.7	168.1	147.3	-81.8	-160.8	167.4	-149.8	-3	122.7
246	P	39.4	Very low	28.9	Very low	109 Å²	109	132.6 Å²	132.6	71%	0.708	76%	0.76	S	S	*	*			trans	-134.7	167.9	-154.2	44	-29.2	0	0	0	118.8
247	R	24.4	Very low	29	Very low	245 Å²	245	128.3 Å²	128.3	93%	0.925	75%	0.754	S	S	*	*			trans	-173.5	137.1	136.7	-113.5	175.6	172.5	162.1	-3	116.8
248	A	24.6	Very low	28.6	Very low	84 Å²	84	131.1 Å²	131.1	69%	0.694	76%	0.762	S	S	*	*			trans	63.9	118.8	134.5	0	0	0	0	0	125.6
249	S	24.8	Very low	28.5	Very low	112 Å²	112	131 Å²	131	78%	0.783	76%	0.758	S	S	*	*				92.7	129.8	126.3	-59.4	0	0	0	0	125.8
250	S	27.7	Very low	28.6	Very low	100 Å²	100	134.8 Å²	134.8	70%	0.699	76%	0.762	S	S	*	*			trans	88.6	163.8	141.9	29.5	0	0	0	0	125.6	R272	S250-R272 PolarHBondContact O-NH2 3.13Å
251	S	27.8	Very low	28.5	Very low	113 Å²	113	130.7 Å²	130.7	79%	0.79	76%	0.762	S	S	*	*			trans	-60.8	173.9	-177.3	37	0	0	0	0	116.1
252	G	28.3	Very low	28.6	Very low	50 Å²	50	127.3 Å²	127.3	52%	0.515	76%	0.759	S	S	.	*			cis	164.3	168.5	-8	0	0	0	0	0	113.1
253	V	29.5	Very low	28.8	Very low	132 Å²	132	131.8 Å²	131.8	80%	0.8	78%	0.775	S	S	*	*			trans	79.8	123.6	161.4	-174.9	0	0	0	0	121.1
254	E	28.2	Very low	27.5	Very low	193 Å²	193	131.7 Å²	131.7	90%	0.902	79%	0.789	S	S	*	*			trans	35.8	151.5	148	-62.5	166.9	-175.1	0	0	126.8
255	G	29.4	Very low	27.7	Very low	81 Å²	81	134 Å²	134	84%	0.835	79%	0.793	S	S	*	*			trans	143.8	109.4	149.1	0	0	0	0	0	119
256	H	28.9	Very low	27.6	Very low	210 Å²	210	132.6 Å²	132.6	97%	0.972	79%	0.788	S	S	*	*			trans	-73.8	160.6	179.6	-95.6	-88.9	0	0	0	116.9
257	G	29.1	Very low	26.9	Very low	67 Å²	67	139.6 Å²	139.6	69%	0.691	80%	0.801	S	S	*	*			trans	171.9	69.1	160.7	0	0	0	0	0	122.7
258	I	29	Very low	27	Very low	163 Å²	163	131.7 Å²	131.7	84%	0.836	80%	0.795	S	S	*	*			trans	55.8	138.8	139.9	-52.5	179.3	0	0	0	123.7
259	E	26.3	Very low	27.2	Very low	161 Å²	161	132 Å²	132	75%	0.752	80%	0.797	S	S	*	*			trans	86.8	116.4	155.3	-91.7	-161.1	102.3	0	0	126.6
260	N	26.1	Very low	27.2	Very low	147 Å²	147	137.6 Å²	137.6	79%	0.786	80%	0.801	S	S	*	*			trans	43.7	120.5	130.8	-67.5	-22	0	0	0	124.3
261	G	24.8	Very low	27	Very low	71 Å²	71	140 Å²	140	73%	0.732	81%	0.805	S	S	*	*			trans	143.5	109.7	138	0	0	0	0	0	121.1
262	I	25.8	Very low	26.8	Very low	157 Å²	157	143.4 Å²	143.4	81%	0.805	80%	0.801	S	S	*	*			trans	60.6	127.7	134.6	-61.3	173.5	0	0	0	121.4
263	I	26.2	Very low	26.5	Very low	172 Å²	172	144.7 Å²	144.7	88%	0.882	81%	0.813	S	S	*	*			trans	62.4	141.4	159.9	-71.4	163.3	0	0	0	118.4
264	G	26.2	Very low	26.3	Very low	76 Å²	76	147.3 Å²	147.3	78%	0.784	82%	0.819	S	S	*	*			trans	150.6	137.2	149.5	0	0	0	0	0	116.4
265	S	25.3	Very low	26.1	Very low	116 Å²	116	146 Å²	146	81%	0.811	82%	0.815	S	S	*	*			trans	-105.2	158.5	168.8	-168.4	0	0	0	0	111.1
266	R	27.2	Very low	26.3	Very low	226 Å²	226	146.8 Å²	146.8	85%	0.853	81%	0.805	S	S	*	*	S	Bend	trans	78.4	109.5	169.6	-56.4	-179.4	170	-166.3	-3.1	119.1
267	R	24.9	Very low	26.5	Very low	256 Å²	256	142.8 Å²	142.8	97%	0.966	79%	0.791	S	S	*	*				39.8	109.4	128.2	-60.7	-178.4	175.8	-167.5	-0.9	118.6
268	G	25.9	Very low	26.6	Very low	79 Å²	79	146.6 Å²	146.6	81%	0.814	79%	0.791	S	S	*	*			trans	-149.6	-5.5	174.9	0	0	0	0	0	120.4
269	A	29.6	Very low	26.5	Very low	89 Å²	89	146.6 Å²	146.6	74%	0.736	78%	0.78	S	S	*	*			trans	22.6	123.6	169.1	0	0	0	0	0	122.1
270	R	24.3	Very low	26.9	Very low	230 Å²	230	148 Å²	148	87%	0.868	79%	0.787	S	S	*	*			trans	-173.1	125.5	139.6	-108.4	168.6	-106.6	-158.7	-3	116.2
271	I	24.5	Very low	27	Very low	150 Å²	150	143.9 Å²	143.9	77%	0.769	76%	0.763	S	S	*	*			trans	62	123.2	131.7	-63.8	176.4	0	0	0	122.5
272	R	22.4	Very low	27.2	Very low	186 Å²	186	144.1 Å²	144.1	70%	0.702	76%	0.758	S	S	*	*			trans	70.9	125.1	146.5	-165.3	-169.7	-145	166.6	12.1	120.2	S250	S250-R272 PolarHBondContact O-NH2 3.13Å
273	G	22.5	Very low	27.4	Very low	76 Å²	76	145.7 Å²	145.7	78%	0.784	76%	0.759	S	S	*	*			trans	177.1	157.2	166	0	0	0	0	0	113.9
274	M	24.8	Very low	27.7	Very low	187 Å²	187	141.8 Å²	141.8	92%	0.921	75%	0.748	S	S	*	*			trans	-94.7	162.4	-176.2	-85.1	127.2	60.6	0	0	114.9
275	M	24.5	Very low	28.1	Very low	166 Å²	166	145.8 Å²	145.8	82%	0.818	75%	0.751	S	S	*	*			trans	-27.9	169.4	151.9	-64.7	-65.7	-174.2	0	0	117.8
276	P	35.1	Very low	28.8	Very low	97 Å²	97	146 Å²	146	63%	0.63	75%	0.75	S	S	*	*			cis	-134.4	169.4	2.3	35.6	-16.2	0	0	0	117.2
277	D	31.3	Very low	29.7	Very low	127 Å²	127	138.6 Å²	138.6	68%	0.679	74%	0.743	S	S	*	*			trans	31.3	159.5	137.9	-55.2	-15.1	0	0	0	126.1
278	H	31.3	Very low	30	Very low	147 Å²	147	135.2 Å²	135.2	68%	0.681	74%	0.739	S	S	*	*			trans	76.4	148.3	148.7	51	-115	0	0	0	122.9
279	W	26.9	Very low	30.2	Very low	163 Å²	163	136 Å²	136	62%	0.617	73%	0.732	S	S	*	*			trans	84.5	97.1	178.9	-52.9	105.4	0	0	0	118	G293	W279-G293 VanDerWaalsContact CZ3-CA 3.41Å
280	E	35.6	Very low	30.2	Very low	190 Å²	190	138.9 Å²	138.9	89%	0.888	73%	0.734	S	S	*	*			trans	-93.7	153.3	162	-179.9	175.9	-133.3	0	0	109.9
281	Q	27.5	Very low	30.6	Very low	61 Å²	61	136.1 Å²	136.1	29%	0.285	73%	0.725	S	S	.	*			trans	-145.6	136.3	172	-168.5	-136.9	-54.3	0	0	110.5	L290 Y291	Q281-L290 VanDerWaalsContact CD-C 3.42Å; Q281-L290 PolarHBondContact NE2-O 3.3Å; Q281-Y291 HydrophobicContact CB-CD1 3.67Å; Q281-Y291 HydrophobicContact CB-CE1 3.68Å; Q281-Y291 HydrophobicContact CB-CG 4.41Å; Q281-Y291 HydrophobicContact CG-CD1 4.05Å; Q281-Y291 HydrophobicContact CG-CE1 4.42Å; Q281-Y291 HydrophobicContact CG-CG 4.32Å
282	A	29.2	Very low	30.8	Very low	76 Å²	76	136.9 Å²	136.9	63%	0.628	73%	0.728	S	S	*	*			trans	-140	146.4	170.9	0	0	0	0	0	109.7
283	F	30.3	Very low	31.2	Very low	189 Å²	189	129.8 Å²	129.8	83%	0.829	71%	0.713	S	S	*	*			trans	-161.9	152.9	144.8	-99.4	-60.7	0	0	0	111
284	S	31.9	Very low	31.4	Very low	91 Å²	91	136.7 Å²	136.7	64%	0.636	72%	0.716	S	S	*	*			trans	16	128.5	160.5	-50.1	0	0	0	0	121.3
285	D	35.3	Very low	31.9	Very low	159 Å²	159	132.6 Å²	132.6	85%	0.85	71%	0.705	S	S	*	*	S	Bend	trans	-61.4	132.9	149.4	-160.5	20.3	0	0	0	109
286	P	40	Very low	32.1	Very low	121 Å²	121	130.9 Å²	130.9	79%	0.786	71%	0.707	S	S	*	*	S	Bend	cis	-112.8	109.1	7.6	36.7	-22.8	0	0	0	114.8
287	G	46.8	Very low	31.7	Very low	70 Å²	70	136.3 Å²	136.3	72%	0.722	71%	0.714	S	S	*	*	S	Bend	trans	77	51.2	138.3	0	0	0	0	0	120.4
288	E	31.3	Very low	31.4	Very low	186 Å²	186	136.3 Å²	136.3	87%	0.869	71%	0.705	S	S	*	*			trans	-150.5	155	157	-121.8	174.7	-144.1	0	0	111.7
289	S	30	Very low	31.2	Very low	96 Å²	96	135.7 Å²	135.7	67%	0.671	71%	0.712	S	S	*	*			trans	-130.8	125.6	-165.5	55.8	0	0	0	0	115.3
290	L	28	Very low	31.1	Very low	149 Å²	149	132.2 Å²	132.2	78%	0.78	71%	0.712	S	S	*	*			trans	-143	124.2	179.8	-86.3	164.4	0	0	0	113.6	Q281	Q281-L290 VanDerWaalsContact CD-C 3.42Å; Q281-L290 PolarHBondContact NE2-O 3.3Å
291	Y	32.7	Very low	30.7	Very low	172 Å²	172	134 Å²	134	68%	0.675	71%	0.711	S	S	*	*			trans	-90.5	119.2	-177.8	-75.1	-90.7	0	0	0	114.1	Q281	Q281-Y291 HydrophobicContact CB-CD1 3.67Å; Q281-Y291 HydrophobicContact CB-CE1 3.68Å; Q281-Y291 HydrophobicContact CB-CG 4.41Å; Q281-Y291 HydrophobicContact CG-CD1 4.05Å; Q281-Y291 HydrophobicContact CG-CE1 4.42Å; Q281-Y291 HydrophobicContact CG-CG 4.32Å
292	I	29.8	Very low	30.6	Very low	165 Å²	165	139.3 Å²	139.3	85%	0.846	74%	0.74	S	S	*	*			trans	-144.7	94.8	162.9	-51.1	-179.8	0	0	0	113.6
293	G	30.1	Very low	30.6	Very low	37 Å²	37	138.9 Å²	138.9	38%	0.381	74%	0.744	S	S	.	*				50.1	71.9	96.8	0	0	0	0	0	123.3	W279	W279-G293 VanDerWaalsContact CZ3-CA 3.41Å
294	R	26.1	Very low	30.6	Very low	222 Å²	222	136.5 Å²	136.5	84%	0.838	75%	0.747	S	S	*	*				169.1	142.8	123.6	-97.5	175.8	171.6	178.6	-2.2	119.2
295	S	35.8	Very low	30.4	Very low	100 Å²	100	143.2 Å²	143.2	70%	0.699	76%	0.758	S	S	*	*			trans	39.2	119.1	132.7	-52	0	0	0	0	122.8
296	P	28.6	Very low	30.8	Very low	131 Å²	131	141 Å²	141	85%	0.851	75%	0.753	S	S	*	*			trans	-101.7	119.1	164.8	34.9	-28.2	0	0	0	114.2
297	R	27.5	Very low	30.1	Very low	210 Å²	210	141 Å²	141	79%	0.792	76%	0.755	S	S	*	*			trans	-146.4	107.6	154.7	-106.2	-161.4	-177.6	-140	2.3	112.1
298	R	25.7	Very low	29	Very low	128 Å²	128	142.7 Å²	142.7	48%	0.483	76%	0.756	S	S	.	*			trans	67.8	163.9	161	-61	-171.3	178.3	163.9	4	119	E323	R298-E323 IonicContact CZ-OE1 3.7Å; R298-E323 IonicContact NH1-OE1 2.99Å; R298-E323 PolarHBondContact NH1-OE1 2.9Å; R298-E323 IonicContact NH2-OE1 2.87Å; R298-E323 PolarHBondContact NH2-OE1 2.79Å
299	T	26.4	Very low	28.9	Very low	134 Å²	134	145 Å²	145	82%	0.822	76%	0.757	S	S	*	*			trans	71	156.2	167.9	69.4	0	0	0	0	119.4
300	S	24.7	Very low	28.8	Very low	89 Å²	89	148.8 Å²	148.8	62%	0.622	76%	0.764	S	S	*	*				-172.9	170.1	-70.6	44.6	0	0	0	0	111.3
301	W	26.2	Very low	28.7	Very low	229 Å²	229	148 Å²	148	87%	0.867	77%	0.766	S	S	*	*			trans	64.1	106.9	164.2	-60.2	109.7	0	0	0	119.4
302	L	27.3	Very low	28.6	Very low	171 Å²	171	146.5 Å²	146.5	90%	0.895	77%	0.769	S	S	*	*				166.3	162.6	103.8	-85.9	-179.8	0	0	0	110.6
303	G	28.4	Very low	28.8	Very low	68 Å²	68	148 Å²	148	70%	0.701	77%	0.765	S	S	*	*			trans	-176.5	166.3	170.9	0	0	0	0	0	113.6
304	P	29.6	Very low	28.9	Very low	138 Å²	138	153.4 Å²	153.4	90%	0.896	78%	0.779	S	S	*	*			trans	-100.9	168.1	172.1	-0.6	22.9	0	0	0	114.3
305	R	28.8	Very low	30	Very low	233 Å²	233	147.1 Å²	147.1	88%	0.879	76%	0.762	S	S	*	*			trans	-113.6	-178.5	180	-99.7	-173.7	174.1	-166.4	1.2	109.8
306	P	42.7	Very low	30.9	Very low	113 Å²	113	149.5 Å²	149.5	73%	0.734	76%	0.762	S	S	*	*			cis	-139.3	166	-36.2	36.7	-20.7	0	0	0	114.1
307	S	25	Very low	32.5	Very low	119 Å²	119	150 Å²	150	83%	0.832	75%	0.747	S	S	*	*			trans	-149.3	133.3	143.6	63.5	0	0	0	0	114.8
308	S	24.9	Very low	35	Very low	106 Å²	106	141.3 Å²	141.3	74%	0.741	72%	0.715	S	S	*	*			trans	-37.4	151.6	165.6	-130.8	0	0	0	0	114.6
309	R	29.7	Very low	37.7	Very low	236 Å²	236	136 Å²	136	89%	0.891	70%	0.697	S	S	*	*			cis	-160.2	94.4	19.7	-163	178.5	-164.3	172.6	4.5	112.6
310	E	26.7	Very low	40.2	Very low	174 Å²	174	134 Å²	134	81%	0.813	68%	0.681	S	S	*	*			trans	-130.8	135.4	172.9	-166.1	169.5	-139.3	0	0	111.7	N312	E310-N312 PolarHBondContact O-N 3.13Å; E310-N312 PolarHBondContact O-ND2 3.3Å
311	T	26	Very low	42.9	Very low	134 Å²	134	133.5 Å²	133.5	82%	0.822	67%	0.671	S	S	*	*			trans	-80.9	76.8	-159.4	-42.3	0	0	0	0	113	Y313	T311-Y313 PolarHBondContact O-N 3.14Å
312	N	30.5	Very low	45.8	Very low	139 Å²	139	123.4 Å²	123.4	74%	0.743	64%	0.635	S	S	*	*			trans	-59.5	117.3	-179.3	-92.1	-97.6	0	0	0	113.6	E310	E310-N312 PolarHBondContact O-N 3.13Å; E310-N312 PolarHBondContact O-ND2 3.3Å
313	Y	34.3	Very low	48.3	Very low	196 Å²	196	120.8 Å²	120.8	77%	0.769	62%	0.618	S	S	*	*			trans	-82.6	105.5	156.1	-85	-95.1	0	0	0	109.2	T311 N315	T311-Y313 PolarHBondContact O-N 3.14Å; Y313-N315 PolarHBondContact O-N 2.84Å
314	K	32.2	Very low	51	Low	152 Å²	152	122 Å²	122	66%	0.661	61%	0.609	S	S	*	*			trans	-77	110	169.4	-75.9	174.5	145.7	-155.6	0	110.6	E316	K314-E316 HydrophobicContact CB-CG 3.86Å; K314-E316 HydrophobicContact CD-CG 4.31Å; K314-E316 WeakPolarHBondContact CD-OE1 3.11Å; K314-E316 IonicContact NZ-OE1 3.3Å; K314-E316 PolarHBondContact NZ-OE1 2.8Å; K314-E316 PolarHBondContact O-N 2.93Å
315	N	50.2	Low	53.6	Low	90 Å²	90	115.5 Å²	115.5	48%	0.481	57%	0.566	S	S	.	*			trans	-80.1	83.6	161.8	-80.3	-6.2	0	0	0	109.3	Y313 W317 F318 R352	Y313-N315 PolarHBondContact O-N 2.84Å; N315-W317 PolarHBondContact O-N 2.87Å; N315-F318 PolarHBondContact O-N 2.8Å; N315-R352 PolarHBondContact ND2-O 3.08Å
316	E	53.5	Low	56	Low	149 Å²	149	113.2 Å²	113.2	70%	0.696	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	4	-175.6	-58.8	-165.3	140.3	0	0	115	K314	K314-E316 HydrophobicContact CB-CG 3.86Å; K314-E316 HydrophobicContact CD-CG 4.31Å; K314-E316 WeakPolarHBondContact CD-OE1 3.11Å; K314-E316 IonicContact NZ-OE1 3.3Å; K314-E316 PolarHBondContact NZ-OE1 2.8Å; K314-E316 PolarHBondContact O-N 2.93Å
317	W	62.6	Low	57.9	Low	142 Å²	142	110 Å²	110	54%	0.538	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-16.7	175.8	-67.5	-52.3	0	0	0	115	N315 F354 P424	N315-W317 PolarHBondContact O-N 2.87Å; W317-F354 WeakPolarHBondContact O-CE2 3.34Å; W317-F354 WeakPolarHBondContact O-CZ 3.26Å; W317-P424 HydrophobicContact CH2-CB 3.85Å; W317-P424 HydrophobicContact CZ3-CB 4.12Å
318	F	80.1	Confident	60.8	Low	27 Å²	27	109.1 Å²	109.1	12%	0.118	53%	0.526	C	S	.	.			trans	-86	133.3	-173.7	-178.4	-86.4	0	0	0	112.7	N315 D320 R352 E353 F354	N315-F318 PolarHBondContact O-N 2.8Å; F318-D320 HydrophobicContact CE1-CB 4.08Å; F318-D320 HydrophobicContact CZ-CB 4.45Å; F318-R352 HydrophobicContact CB-CB 4.49Å; F318-R352 WeakPolarHBondContact CB-O 3.49Å; F318-R352 HydrophobicContact CD1-CB 3.53Å; F318-R352 HydrophobicContact CD1-CG 4.1Å; F318-R352 HydrophobicContact CE1-CB 3.88Å; F318-R352 HydrophobicContact CE1-CG 4.1Å; F318-R352 VanDerWaalsContact CG-C 3.5Å; F318-R352 HydrophobicContact CG-CB 3.91Å; F318-R352 WeakPolarHBondContact CG-O 3.01Å; F318-E353 WeakPolarHBondContact CE2-O 3.47Å; F318-F354 AromaticContact CD2-CD1 3.61Å; F318-F354 HydrophobicContact CD2-CD1 3.61Å; F318-F354 HydrophobicContact CD2-CD2 4.48Å; F318-F354 AromaticContact CD2-CE1 3.69Å; F318-F354 HydrophobicContact CD2-CE1 3.69Å; F318-F354 HydrophobicContact CD2-CG 4.03Å; F318-F354 HydrophobicContact CD2-CZ 4.21Å; F318-F354 AromaticContact CE2-CD1 3.7Å; F318-F354 HydrophobicContact CE2-CD1 3.7Å; F318-F354 AromaticContact CE2-CE1 3.92Å; F318-F354 HydrophobicContact CE2-CE1 3.92Å; F318-F354 HydrophobicContact CE2-CG 4.43Å; F318-F354 HydrophobicContact CG-CE1 4.4Å
319	T	81.8	Confident	63.9	Low	17 Å²	17	107.1 Å²	107.1	10%	0.104	51%	0.511	C	S	.	.			trans	-133	145.1	167.1	-177.7	0	0	0	0	110.1	L321 D324 L325 F354	T319-L321 PolarHBondContact OG1-N 3.34Å; T319-L321 VanDerWaalsContact OG1-N 3.1Å; T319-D324 HydrophobicContact CG2-CB 3.66Å; T319-D324 PolarHBondContact OG1-OD2 3.28Å; T319-L325 HydrophobicContact CG2-CD2 3.57Å; T319-L325 HydrophobicContact CG2-CG 4.09Å; T319-F354 HydrophobicContact CG2-CE1 4.45Å; T319-F354 HydrophobicContact CG2-CZ 4.28Å; T319-F354 WeakPolarHBondContact O-CE1 2.99Å
320	D	79.6	Confident	66.9	Low	93 Å²	93	96.9 Å²	96.9	50%	0.497	48%	0.475	S	S	.	.	S	Bend	trans	-91.4	-5.6	172	44.7	-21.9	0	0	0	112.8	F318	F318-D320 HydrophobicContact CE1-CB 4.08Å; F318-D320 HydrophobicContact CZ-CB 4.45Å
321	L	81.1	Confident	70	Confident	77 Å²	77	94.8 Å²	94.8	40%	0.403	46%	0.464	S	S	.	.			trans	-101	119.7	176.4	-62.2	178.1	0	0	0	111.2	T319 E323 D324	T319-L321 PolarHBondContact OG1-N 3.34Å; T319-L321 VanDerWaalsContact OG1-N 3.1Å; L321-E323 PolarHBondContact O-N 3.2Å; L321-E323 VanDerWaalsContact O-N 3.17Å; L321-D324 PolarHBondContact O-N 2.85Å
322	P	86.3	Confident	73	Confident	17 Å²	17	88.5 Å²	88.5	11%	0.11	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-56.6	-29.6	178.6	-31.5	38.1	0	0	0	116	D324 L325 V375 Y376 L383	P322-D324 VanDerWaalsContact C-N 3.33Å; P322-D324 PolarHBondContact O-N 2.85Å; P322-L325 WeakPolarHBondContact O-CB 3.35Å; P322-L325 PolarHBondContact O-N 2.6Å; P322-V375 HydrophobicContact CB-CG1 3.71Å; P322-V375 HydrophobicContact CG-CG1 3.87Å; P322-Y376 HydrophobicContact CB-CE2 4.19Å; P322-Y376 HydrophobicContact CG-CE2 3.9Å; P322-L383 HydrophobicContact CB-CD1 4.35Å; P322-L383 HydrophobicContact CG-CD1 3.82Å
323	E	80.5	Confident	75.9	Confident	117 Å²	117	86.9 Å²	86.9	55%	0.547	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-65.8	-36.9	-179.1	-44.1	-66.9	-170.3	0	0	112.1	R298 L321 L325	R298-E323 IonicContact CZ-OE1 3.7Å; R298-E323 IonicContact NH1-OE1 2.99Å; R298-E323 PolarHBondContact NH1-OE1 2.9Å; R298-E323 IonicContact NH2-OE1 2.87Å; R298-E323 PolarHBondContact NH2-OE1 2.79Å; L321-E323 PolarHBondContact O-N 3.2Å; L321-E323 VanDerWaalsContact O-N 3.17Å; E323-L325 PolarHBondContact O-N 2.9Å
324	D	84.8	Confident	78.6	Confident	94 Å²	94	78 Å²	78	50%	0.503	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-72.4	-11.4	-177.3	-63.6	-7.8	0	0	0	112	T319 L321 P322 R326	T319-D324 HydrophobicContact CG2-CB 3.66Å; T319-D324 PolarHBondContact OG1-OD2 3.28Å; L321-D324 PolarHBondContact O-N 2.85Å; P322-D324 VanDerWaalsContact C-N 3.33Å; P322-D324 PolarHBondContact O-N 2.85Å; D324-R326 PolarHBondContact O-N 2.91Å
325	L	85.4	Confident	81.3	Confident	1 Å²	1	76.1 Å²	76.1	1%	0.005	38%	0.375	C	S	.	.			trans	-72.7	119.2	177.8	-63.5	178.3	0	0	0	111	T319 P322 E323 F354 V375 L383 R408 Y411	T319-L325 HydrophobicContact CG2-CD2 3.57Å; T319-L325 HydrophobicContact CG2-CG 4.09Å; P322-L325 WeakPolarHBondContact O-CB 3.35Å; P322-L325 PolarHBondContact O-N 2.6Å; E323-L325 PolarHBondContact O-N 2.9Å; L325-F354 HydrophobicContact CD2-CE1 3.59Å; L325-F354 HydrophobicContact CD2-CZ 3.55Å; L325-V375 HydrophobicContact CD1-CG1 4.16Å; L325-V375 HydrophobicContact CD1-CG2 3.63Å; L325-L383 HydrophobicContact CD1-CD1 3.82Å; L325-L383 HydrophobicContact CD1-CD2 4Å; L325-L383 HydrophobicContact CG-CD1 4.34Å; L325-R408 HydrophobicContact CB-CB 4.41Å; L325-R408 HydrophobicContact CB-CG 3.88Å; L325-R408 HydrophobicContact CD1-CB 4.16Å; L325-R408 HydrophobicContact CD1-CG 4.48Å; L325-R408 VanDerWaalsContact O-CZ 3.23Å; L325-R408 PolarHBondContact O-NE 2.99Å; L325-R408 PolarHBondContact O-NH2 2.79Å; L325-Y411 WeakPolarHBondContact CA-OH 3.4Å; L325-Y411 HydrophobicContact CB-CE2 4.44Å; L325-Y411 HydrophobicContact CD2-CE2 4.43Å
326	R	77.5	Confident	83.2	Confident	184 Å²	184	72.8 Å²	72.8	69%	0.694	36%	0.357	S	S	*	.			trans	-74.6	164.2	176.8	-62.1	-171.5	-67.9	177.3	-2.5	111.4	D324 R408 Y411	D324-R326 PolarHBondContact O-N 2.91Å; R326-R408 VanDerWaalsContact O-CG 3.29Å; R326-R408 WeakPolarHBondContact O-CG 3.5Å; R326-Y411 PolarHBondContact N-OH 2.69Å; R326-Y411 WeakPolarHBondContact O-CE2 3.42Å
327	G	82.9	Confident	84.5	Confident	46 Å²	46	67.3 Å²	67.3	47%	0.474	34%	0.34	S	S	.	.	S	Bend	trans	84	-162.6	-171.7	0	0	0	0	0	112.3	R408 R409	G327-R408 PolarHBondContact O-NE 2.87Å; G327-R409 CarbonylContact C-O 3.53Å; G327-R409 VanDerWaalsContact CA-O 3.3Å; G327-R409 WeakPolarHBondContact CA-O 3.23Å
328	F	85.8	Confident	85.2	Confident	101 Å²	101	66.1 Å²	66.1	44%	0.443	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	148.5	-170.3	59.5	-88.6	0	0	0	112.9	V330 R409	F328-V330 HydrophobicContact CD2-CG2 3.73Å; F328-V330 HydrophobicContact CE2-CG2 3.64Å; F328-R409 HydrophobicContact CD2-CB 4.23Å; F328-R409 HydrophobicContact CE1-CB 4.23Å; F328-R409 HydrophobicContact CE1-CG 4.04Å; F328-R409 HydrophobicContact CE2-CB 3.92Å; F328-R409 HydrophobicContact CE2-CG 4.12Å; F328-R409 HydrophobicContact CZ-CB 3.93Å; F328-R409 VanDerWaalsContact CZ-CD 3.5Å; F328-R409 HydrophobicContact CZ-CG 3.68Å; F328-R409 PolarHBondContact N-O 3.19Å; F328-R409 PolarHBondContact O-N 2.82Å
329	P	91.4	Very high	84.9	Confident	63 Å²	63	73.7 Å²	73.7	41%	0.409	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	144.2	176.7	33.3	-35.5	0	0	0	110.9	E406 V407	P329-E406 HydrophobicContact CB-CG 4.37Å; P329-E406 WeakPolarHBondContact CB-OE1 3.38Å; P329-V407 CarbonylContact C-O 3.51Å
330	V	91.6	Very high	85.1	Confident	22 Å²	22	74.1 Å²	74.1	13%	0.133	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	117.5	174.4	-179.8	0	0	0	0	107.6	F328 V407 R409	F328-V330 HydrophobicContact CD2-CG2 3.73Å; F328-V330 HydrophobicContact CE2-CG2 3.64Å; V330-V407 HydrophobicContact CB-CG2 3.85Å; V330-V407 HydrophobicContact CG1-CG2 4.41Å; V330-V407 PolarHBondContact N-O 2.97Å; V330-V407 PolarHBondContact O-N 2.92Å; V330-R409 HydrophobicContact CG2-CB 3.95Å
331	H	91.6	Very high	85.7	Confident	130 Å²	130	70.6 Å²	70.6	60%	0.602	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	138.5	175.7	-69.6	65.5	0	0	0	109.8	I405 E406	H331-I405 CarbonylContact C-O 3.59Å; H331-I405 WeakPolarHBondContact CA-O 3.45Å; H331-E406 IonicContact CE1-OE1 2.73Å
332	A	89.6	Confident	86	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.008	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	104.7	-177.7	0	0	0	0	0	110.7	L334 L368 I405	A332-L334 HydrophobicContact CB-CD2 3.96Å; A332-L334 HydrophobicContact CB-CG 4.29Å; A332-L334 PolarHBondContact O-N 3.47Å; A332-L368 HydrophobicContact CB-CD2 3.92Å; A332-L368 HydrophobicContact CB-CG 4.33Å; A332-I405 PolarHBondContact N-O 2.98Å; A332-I405 PolarHBondContact O-N 2.76Å
333	H	91.4	Very high	86.3	Confident	106 Å²	106	67.7 Å²	67.7	49%	0.491	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	112.3	169	179.9	-93.1	0	0	0	109.6	S402 I403 D404	H333-S402 WeakPolarHBondContact CE1-CB 3.17Å; H333-S402 WeakPolarHBondContact NE2-CB 3.48Å; H333-S402 PolarHBondContact NE2-OG 3.24Å; H333-I403 CarbonylContact C-O 3.54Å; H333-I403 WeakPolarHBondContact CA-O 2.97Å; H333-D404 WeakPolarHBondContact CA-OD1 3.41Å; H333-D404 VanDerWaalsContact CB-OD1 3.25Å; H333-D404 WeakPolarHBondContact CB-OD1 3.33Å; H333-D404 IonicContact CD2-OD1 3.85Å; H333-D404 PolarHBondContact CD2-OD1 3.32Å; H333-D404 IonicContact CD2-OD2 2.68Å; H333-D404 IonicContact CG-OD1 3.37Å
334	L	91.7	Very high	86.8	Confident	9 Å²	9	66 Å²	66	5%	0.047	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	123.7	-171.3	-54.6	-172.9	0	0	0	111.9	A332 F341 F343 P365 L368 S402 I403 I405	A332-L334 HydrophobicContact CB-CD2 3.96Å; A332-L334 HydrophobicContact CB-CG 4.29Å; A332-L334 PolarHBondContact O-N 3.47Å; L334-F341 HydrophobicContact CB-CD1 3.77Å; L334-F341 HydrophobicContact CB-CE1 4.31Å; L334-F341 HydrophobicContact CD1-CB 4.3Å; L334-F341 WeakPolarHBondContact O-CE1 3.49Å; L334-F343 HydrophobicContact CD1-CD1 4.1Å; L334-F343 HydrophobicContact CD1-CE1 3.51Å; L334-F343 HydrophobicContact CD1-CZ 4.37Å; L334-P365 HydrophobicContact CD1-CG 4.15Å; L334-P365 HydrophobicContact CD2-CB 3.38Å; L334-P365 HydrophobicContact CD2-CG 3.6Å; L334-L368 HydrophobicContact CD1-CD1 3.97Å; L334-S402 CarbonylContact O-C 3.48Å; L334-S402 WeakPolarHBondContact O-CA 3.32Å; L334-I403 HydrophobicContact CB-CG1 4Å; L334-I403 PolarHBondContact N-O 3.22Å; L334-I403 PolarHBondContact O-N 3.22Å; L334-I405 HydrophobicContact CD1-CD1 3.63Å; L334-I405 HydrophobicContact CD1-CG1 4.18Å
335	I	87.4	Confident	87.2	Confident	112 Å²	112	62.7 Å²	62.7	57%	0.574	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	134	172.3	-58.6	171.8	0	0	0	109.7	G337	I335-G337 PolarHBondContact O-N 3.48Å
336	K	90	Very high	87.4	Confident	21 Å²	21	63.2 Å²	63.2	9%	0.091	33%	0.334	C	S	.	.			trans	-77.8	106.5	-179.4	-165.9	168.3	178.1	167.6	0	111.7	F341 L394 K395 V397 G400 H401	K336-F341 HydrophobicContact CB-CD1 4Å; K336-F341 HydrophobicContact CB-CE1 3.41Å; K336-F341 VanDerWaalsContact CB-CE1 3.41Å; K336-F341 HydrophobicContact CB-CZ 3.71Å; K336-F341 HydrophobicContact CD-CE1 4.36Å; K336-F341 HydrophobicContact CD-CE2 4.03Å; K336-F341 HydrophobicContact CD-CZ 3.79Å; K336-F341 HydrophobicContact CG-CD1 4.34Å; K336-F341 HydrophobicContact CG-CE1 3.96Å; K336-F341 HydrophobicContact CG-CE2 4.22Å; K336-F341 HydrophobicContact CG-CZ 3.88Å; K336-L394 PolarHBondContact NZ-O 3.34Å; K336-K395 VanDerWaalsContact NZ-C 3.31Å; K336-K395 PolarHBondContact NZ-O 3.44Å; K336-V397 HydrophobicContact CB-CG1 4.43Å; K336-V397 HydrophobicContact CD-CB 4.03Å; K336-V397 HydrophobicContact CD-CG1 4.12Å; K336-V397 WeakPolarHBondContact CD-O 3.44Å; K336-V397 WeakPolarHBondContact CE-O 3.28Å; K336-V397 PolarHBondContact NZ-O 3.41Å; K336-G400 PolarHBondContact O-N 3.23Å; K336-H401 PolarHBondContact N-O 2.88Å
337	G	82.1	Confident	87.8	Confident	33 Å²	33	54.7 Å²	54.7	34%	0.34	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-72.9	173.1	171.1	0	0	0	0	0	113.2	I335 R339 G340	I335-G337 PolarHBondContact O-N 3.48Å; G337-R339 PolarHBondContact O-N 2.98Å; G337-R339 VanDerWaalsContact O-N 3.13Å; G337-G340 PolarHBondContact N-O 2.98Å; G337-G340 WeakPolarHBondContact O-CA 3.43Å; G337-G340 PolarHBondContact O-N 2.85Å
338	S	76.3	Confident	87.8	Confident	117 Å²	117	52.7 Å²	52.7	82%	0.818	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-20.8	173.9	56	0	0	0	0	113.7
339	R	75	Confident	87.2	Confident	186 Å²	186	51.9 Å²	51.9	70%	0.702	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	17.2	173.4	-64.2	176.4	62.2	-143.5	-2.3	113.1	G337 S363	G337-R339 PolarHBondContact O-N 2.98Å; G337-R339 VanDerWaalsContact O-N 3.13Å; R339-S363 PolarHBondContact NH1-OG 3.02Å
340	G	85.8	Confident	86.1	Confident	26 Å²	26	56.7 Å²	56.7	27%	0.268	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	78	-156.9	-169.9	0	0	0	0	0	112.3	G337 G342	G337-G340 PolarHBondContact N-O 2.98Å; G337-G340 WeakPolarHBondContact O-CA 3.43Å; G337-G340 PolarHBondContact O-N 2.85Å; G340-G342 VanDerWaalsContact C-N 3.26Å; G340-G342 PolarHBondContact O-N 3.21Å
341	F	90.8	Very high	84.7	Confident	20 Å²	20	61.1 Å²	61.1	9%	0.088	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	6.7	-176.8	-58.7	-72.8	0	0	0	114.8	L334 K336 F343 P365 L394 V397 I403	L334-F341 HydrophobicContact CB-CD1 3.77Å; L334-F341 HydrophobicContact CB-CE1 4.31Å; L334-F341 HydrophobicContact CD1-CB 4.3Å; L334-F341 WeakPolarHBondContact O-CE1 3.49Å; K336-F341 HydrophobicContact CB-CD1 4Å; K336-F341 HydrophobicContact CB-CE1 3.41Å; K336-F341 VanDerWaalsContact CB-CE1 3.41Å; K336-F341 HydrophobicContact CB-CZ 3.71Å; K336-F341 HydrophobicContact CD-CE1 4.36Å; K336-F341 HydrophobicContact CD-CE2 4.03Å; K336-F341 HydrophobicContact CD-CZ 3.79Å; K336-F341 HydrophobicContact CG-CD1 4.34Å; K336-F341 HydrophobicContact CG-CE1 3.96Å; K336-F341 HydrophobicContact CG-CE2 4.22Å; K336-F341 HydrophobicContact CG-CZ 3.88Å; F341-F343 VanDerWaalsContact C-N 3.29Å; F341-F343 HydrophobicContact CB-CD1 3.73Å; F341-F343 HydrophobicContact CB-CE1 3.51Å; F341-F343 HydrophobicContact CG-CE1 4.31Å; F341-F343 PolarHBondContact O-N 3.46Å; F341-P365 WeakPolarHBondContact O-CD 3.41Å; F341-L394 HydrophobicContact CD2-CB 4.38Å; F341-L394 HydrophobicContact CD2-CD2 3.89Å; F341-L394 HydrophobicContact CE2-CB 4.12Å; F341-L394 HydrophobicContact CE2-CD2 3.74Å; F341-L394 WeakPolarHBondContact CE2-O 3.44Å; F341-V397 HydrophobicContact CZ-CB 4.14Å; F341-V397 HydrophobicContact CZ-CG1 4.04Å; F341-V397 HydrophobicContact CZ-CG2 4.29Å; F341-I403 HydrophobicContact CD1-CD1 4.09Å; F341-I403 HydrophobicContact CD1-CG1 4.22Å; F341-I403 HydrophobicContact CD2-CD1 4Å; F341-I403 HydrophobicContact CE1-CD1 3.63Å; F341-I403 HydrophobicContact CE1-CG1 3.59Å; F341-I403 HydrophobicContact CE1-CG2 4.45Å; F341-I403 HydrophobicContact CE2-CD1 3.53Å; F341-I403 HydrophobicContact CE2-CG1 4.38Å; F341-I403 HydrophobicContact CG-CD1 4.25Å; F341-I403 HydrophobicContact CZ-CB 4.46Å; F341-I403 HydrophobicContact CZ-CD1 3.34Å; F341-I403 HydrophobicContact CZ-CG1 3.7Å; F341-I403 HydrophobicContact CZ-CG2 3.97Å
342	G	87.8	Confident	83.8	Confident	11 Å²	11	62.3 Å²	62.3	11%	0.113	33%	0.328	C	S	.	.	S	Bend	trans	70.1	15.8	174.5	0	0	0	0	0	116.1	G340 T361 G364	G340-G342 VanDerWaalsContact C-N 3.26Å; G340-G342 PolarHBondContact O-N 3.21Å; G342-T361 WeakPolarHBondContact CA-OG1 3.4Å; G342-T361 WeakPolarHBondContact O-CB 3.49Å; G342-T361 WeakPolarHBondContact O-CG2 3.43Å; G342-T361 PolarHBondContact O-N 2.98Å; G342-T361 PolarHBondContact O-OG1 3.34Å; G342-G364 WeakPolarHBondContact O-CA 3.3Å
343	F	93.1	Very high	83.5	Confident	21 Å²	21	62.6 Å²	62.6	9%	0.092	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	156	170	73.6	-83.3	0	0	0	111	L334 F341 I345 V357 S359 V360 P365 L368 L374 L394 I405	L334-F343 HydrophobicContact CD1-CD1 4.1Å; L334-F343 HydrophobicContact CD1-CE1 3.51Å; L334-F343 HydrophobicContact CD1-CZ 4.37Å; F341-F343 VanDerWaalsContact C-N 3.29Å; F341-F343 HydrophobicContact CB-CD1 3.73Å; F341-F343 HydrophobicContact CB-CE1 3.51Å; F341-F343 HydrophobicContact CG-CE1 4.31Å; F341-F343 PolarHBondContact O-N 3.46Å; F343-I345 HydrophobicContact CD2-CG2 3.83Å; F343-I345 HydrophobicContact CE2-CG2 3.49Å; F343-I345 VanDerWaalsContact CE2-CG2 3.49Å; F343-V357 HydrophobicContact CB-CG1 4.38Å; F343-V357 HydrophobicContact CD2-CG1 4.23Å; F343-V357 HydrophobicContact CD2-CG2 4.11Å; F343-V357 HydrophobicContact CE2-CG2 4.36Å; F343-S359 CarbonylContact C-O 3.59Å; F343-S359 WeakPolarHBondContact CA-O 3.33Å; F343-V360 HydrophobicContact CB-CG2 4.18Å; F343-P365 HydrophobicContact CD1-CG 4.41Å; F343-L368 HydrophobicContact CB-CD1 4.47Å; F343-L368 HydrophobicContact CD1-CD1 3.68Å; F343-L368 HydrophobicContact CD2-CD1 4.05Å; F343-L368 HydrophobicContact CE1-CD1 3.82Å; F343-L368 HydrophobicContact CE2-CD1 4.15Å; F343-L368 HydrophobicContact CG-CD1 3.81Å; F343-L368 HydrophobicContact CZ-CD1 4.06Å; F343-L374 HydrophobicContact CE2-CD2 4.34Å; F343-L394 HydrophobicContact CZ-CD1 4.16Å; F343-I405 HydrophobicContact CE1-CD1 3.96Å; F343-I405 HydrophobicContact CZ-CD1 3.57Å
344	N	91.2	Very high	83.5	Confident	83 Å²	83	57.9 Å²	57.9	44%	0.444	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	150.6	176.5	-59.5	-56.4	0	0	0	109.7	V357 Y358 S359	N344-V357 CarbonylContact O-C 3.43Å; N344-V357 WeakPolarHBondContact O-CA 3.15Å; N344-Y358 PolarHBondContact O-N 3.06Å; N344-S359 PolarHBondContact N-O 2.81Å; N344-S359 PolarHBondContact ND2-OG 2.92Å
345	I	93.1	Very high	83.5	Confident	23 Å²	23	57.6 Å²	57.6	12%	0.118	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	158.9	174.1	62.9	178.7	0	0	0	112.3	F343 L355 Q356 L374 H387 A390 V391 L394	F343-I345 HydrophobicContact CD2-CG2 3.83Å; F343-I345 HydrophobicContact CE2-CG2 3.49Å; F343-I345 VanDerWaalsContact CE2-CG2 3.49Å; I345-L355 HydrophobicContact CD1-CD2 4.32Å; I345-Q356 CarbonylContact C-O 3.22Å; I345-Q356 WeakPolarHBondContact CA-O 3.15Å; I345-L374 HydrophobicContact CG2-CD1 3.72Å; I345-L374 HydrophobicContact CG2-CD2 4.03Å; I345-H387 PolarHBondContact O-CE1 3.5Å; I345-A390 HydrophobicContact CD1-CB 4.42Å; I345-V391 HydrophobicContact CD1-CG2 3.93Å; I345-V391 HydrophobicContact CG1-CG2 4.25Å; I345-L394 HydrophobicContact CD1-CD1 4.36Å
346	V	89.6	Confident	83.8	Confident	12 Å²	12	52.3 Å²	52.3	7%	0.073	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	160.3	177.9	65.1	0	0	0	0	109.6	L355 Q356 Y358 M413 Y415	V346-L355 WeakPolarHBondContact O-CA 3.25Å; V346-Q356 HydrophobicContact CG1-CB 4.26Å; V346-Q356 PolarHBondContact N-O 2.83Å; V346-Q356 PolarHBondContact O-N 3.31Å; V346-Y358 HydrophobicContact CB-CD2 4.27Å; V346-Y358 HydrophobicContact CB-CG 4.31Å; V346-Y358 HydrophobicContact CG1-CD2 3.99Å; V346-Y358 HydrophobicContact CG1-CG 4.29Å; V346-M413 HydrophobicContact CG1-CE 4.35Å; V346-M413 HydrophobicContact CG1-SD 3.94Å; V346-Y415 HydrophobicContact CB-CD2 4.48Å; V346-Y415 HydrophobicContact CG1-CD2 3.67Å; V346-Y415 HydrophobicContact CG1-CE2 4.45Å; V346-Y415 HydrophobicContact CG1-CG 4.04Å; V346-Y415 HydrophobicContact CG2-CD1 4.24Å; V346-Y415 HydrophobicContact CG2-CD2 4.21Å; V346-Y415 HydrophobicContact CG2-CG 3.78Å
347	G	86.6	Confident	83.9	Confident	6 Å²	6	51.3 Å²	51.3	6%	0.062	28%	0.275	C	S	.	.			trans	87.6	-174.8	-175	0	0	0	0	0	113.6	S349 F354 L355 H387 Y415	G347-S349 VanDerWaalsContact C-N 3.29Å; G347-F354 WeakPolarHBondContact CA-O 3.3Å; G347-L355 WeakPolarHBondContact O-CD2 3.35Å; G347-H387 WeakPolarHBondContact O-CB 3.42Å; G347-H387 PolarHBondContact O-ND1 2.88Å; G347-Y415 VanDerWaalsContact CA-CE1 3.5Å; G347-Y415 VanDerWaalsContact CA-OH 3.29Å; G347-Y415 WeakPolarHBondContact CA-OH 3.36Å
348	G	81.7	Confident	84.4	Confident	3 Å²	3	53.9 Å²	53.9	3%	0.031	28%	0.275	C	S	.	.			trans	67.2	27.4	-172.1	0	0	0	0	0	113.3	H387	G348-H387 WeakPolarHBondContact O-CB 3.47Å; G348-H387 PolarHBondContact O-N 3.34Å
349	S	73.6	Confident	85.1	Confident	84 Å²	84	49.9 Å²	49.9	59%	0.587	25%	0.247	S	C	*	.	S	Bend	trans	-82.1	-18.6	178.4	76.7	0	0	0	0	112.8	G347 E353	G347-S349 VanDerWaalsContact C-N 3.29Å; S349-E353 WeakPolarHBondContact CA-OE2 3.41Å; S349-E353 WeakPolarHBondContact CB-OE2 3.27Å; S349-E353 PolarHBondContact N-OE2 2.99Å; S349-E353 PolarHBondContact OG-OE1 2.95Å; S349-E353 PolarHBondContact OG-OE2 3.01Å
350	R	68.7	Low	85.8	Confident	165 Å²	165	43.1 Å²	43.1	62%	0.623	23%	0.226	S	C	*	.	S	Bend	trans	-132.4	158.1	173.8	-54.7	178.4	-177.5	-157.8	-3.3	109.3	E353	R350-E353 HydrophobicContact CB-CG 4.08Å; R350-E353 WeakPolarHBondContact CD-OE1 3.39Å; R350-E353 WeakPolarHBondContact CG-OE1 3.5Å; R350-E353 PolarHBondContact N-OE2 3.2Å; R350-E353 IonicContact NE-OE1 3.8Å
351	P	61.8	Low	85.8	Confident	114 Å²	114	43.8 Å²	43.8	74%	0.74	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	142.4	162.6	-21.2	33.1	0	0	0	110.1
352	R	71.6	Confident	85	Confident	155 Å²	155	48.7 Å²	48.7	59%	0.585	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	42.7	-178.4	-45.3	-173.5	82.1	166.3	8.2	114.2	N315 F318	N315-R352 PolarHBondContact ND2-O 3.08Å; F318-R352 HydrophobicContact CB-CB 4.49Å; F318-R352 WeakPolarHBondContact CB-O 3.49Å; F318-R352 HydrophobicContact CD1-CB 3.53Å; F318-R352 HydrophobicContact CD1-CG 4.1Å; F318-R352 HydrophobicContact CE1-CB 3.88Å; F318-R352 HydrophobicContact CE1-CG 4.1Å; F318-R352 VanDerWaalsContact CG-C 3.5Å; F318-R352 HydrophobicContact CG-CB 3.91Å; F318-R352 WeakPolarHBondContact CG-O 3.01Å
353	E	85.1	Confident	84.2	Confident	8 Å²	8	52 Å²	52	4%	0.037	29%	0.291	C	S	.	.			trans	-121.2	141.1	165.9	-77.3	-177.1	175.7	0	0	110.4	F318 S349 R350	F318-E353 WeakPolarHBondContact CE2-O 3.47Å; S349-E353 WeakPolarHBondContact CA-OE2 3.41Å; S349-E353 WeakPolarHBondContact CB-OE2 3.27Å; S349-E353 PolarHBondContact N-OE2 2.99Å; S349-E353 PolarHBondContact OG-OE1 2.95Å; S349-E353 PolarHBondContact OG-OE2 3.01Å; R350-E353 HydrophobicContact CB-CG 4.08Å; R350-E353 WeakPolarHBondContact CD-OE1 3.39Å; R350-E353 WeakPolarHBondContact CG-OE1 3.5Å; R350-E353 PolarHBondContact N-OE2 3.2Å; R350-E353 IonicContact NE-OE1 3.8Å
354	F	90.2	Very high	83.5	Confident	6 Å²	6	52.1 Å²	52.1	3%	0.026	30%	0.298	C	S	.	.			trans	-78.1	143.7	175.5	-68.2	-52.1	0	0	0	112.2	W317 F318 T319 L325 G347 I373 L383 Y411 L414 Y415	W317-F354 WeakPolarHBondContact O-CE2 3.34Å; W317-F354 WeakPolarHBondContact O-CZ 3.26Å; F318-F354 AromaticContact CD2-CD1 3.61Å; F318-F354 HydrophobicContact CD2-CD1 3.61Å; F318-F354 HydrophobicContact CD2-CD2 4.48Å; F318-F354 AromaticContact CD2-CE1 3.69Å; F318-F354 HydrophobicContact CD2-CE1 3.69Å; F318-F354 HydrophobicContact CD2-CG 4.03Å; F318-F354 HydrophobicContact CD2-CZ 4.21Å; F318-F354 AromaticContact CE2-CD1 3.7Å; F318-F354 HydrophobicContact CE2-CD1 3.7Å; F318-F354 AromaticContact CE2-CE1 3.92Å; F318-F354 HydrophobicContact CE2-CE1 3.92Å; F318-F354 HydrophobicContact CE2-CG 4.43Å; F318-F354 HydrophobicContact CG-CE1 4.4Å; T319-F354 HydrophobicContact CG2-CE1 4.45Å; T319-F354 HydrophobicContact CG2-CZ 4.28Å; T319-F354 WeakPolarHBondContact O-CE1 2.99Å; L325-F354 HydrophobicContact CD2-CE1 3.59Å; L325-F354 HydrophobicContact CD2-CZ 3.55Å; G347-F354 WeakPolarHBondContact CA-O 3.3Å; F354-I373 HydrophobicContact CB-CD1 4.27Å; F354-I373 HydrophobicContact CB-CG1 4.39Å; F354-I373 HydrophobicContact CB-CG2 4.31Å; F354-I373 HydrophobicContact CD1-CD1 4.25Å; F354-I373 HydrophobicContact CD1-CG2 4.09Å; F354-I373 HydrophobicContact CD2-CD1 3.65Å; F354-I373 HydrophobicContact CE1-CD1 4.5Å; F354-I373 HydrophobicContact CE2-CD1 3.89Å; F354-I373 HydrophobicContact CG-CD1 3.83Å; F354-I373 HydrophobicContact CG-CG1 4.45Å; F354-I373 HydrophobicContact CG-CG2 4.31Å; F354-I373 HydrophobicContact CZ-CD1 4.31Å; F354-L383 HydrophobicContact CD1-CD2 4.22Å; F354-L383 HydrophobicContact CE1-CD2 4.36Å; F354-Y411 HydrophobicContact CE2-CE1 4.32Å; F354-L414 HydrophobicContact CD2-CD1 3.84Å; F354-Y415 PolarHBondContact N-OH 3.21Å; F354-Y415 WeakPolarHBondContact O-CE2 3.15Å; F354-Y415 PolarHBondContact O-OH 3.11Å
355	L	92.4	Very high	83.1	Confident	4 Å²	4	49.3 Å²	49.3	2%	0.021	28%	0.284	C	S	.	.			trans	-85.4	121.7	165.2	-68.1	163.4	0	0	0	109.2	I345 V346 G347 I373 L374 V382 H387 A390	I345-L355 HydrophobicContact CD1-CD2 4.32Å; V346-L355 WeakPolarHBondContact O-CA 3.25Å; G347-L355 WeakPolarHBondContact O-CD2 3.35Å; L355-I373 CarbonylContact O-C 3.58Å; L355-I373 WeakPolarHBondContact O-CA 3.37Å; L355-L374 HydrophobicContact CB-CB 4.34Å; L355-L374 PolarHBondContact O-N 2.87Å; L355-V382 HydrophobicContact CD1-CB 4.43Å; L355-H387 HydrophobicContact CD2-CB 4.36Å; L355-A390 HydrophobicContact CD1-CB 3.47Å; L355-A390 VanDerWaalsContact CD1-CB 3.47Å
356	Q	92.8	Very high	82.7	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	146.7	178.4	-77.5	-172.8	-63.2	0	0	112.1	I345 V346 Y358 A371 D372 I373 P412 M413	I345-Q356 CarbonylContact C-O 3.22Å; I345-Q356 WeakPolarHBondContact CA-O 3.15Å; V346-Q356 HydrophobicContact CG1-CB 4.26Å; V346-Q356 PolarHBondContact N-O 2.83Å; V346-Q356 PolarHBondContact O-N 3.31Å; Q356-Y358 PolarHBondContact O-N 2.75Å; Q356-Y358 VanDerWaalsContact O-N 3.15Å; Q356-A371 PolarHBondContact NE2-O 2.81Å; Q356-D372 CarbonylContact C-O 3.57Å; Q356-D372 VanDerWaalsContact CA-O 3.29Å; Q356-D372 WeakPolarHBondContact CA-O 3.25Å; Q356-I373 HydrophobicContact CG-CG1 3.76Å; Q356-P412 PolarHBondContact NE2-O 3.21Å; Q356-M413 HydrophobicContact CB-CE 4.45Å
357	V	93.7	Very high	82.6	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	109.2	168.4	178.8	0	0	0	0	109	F343 N344 V360 L368 K369 T370 A371 D372 L374 M413	F343-V357 HydrophobicContact CB-CG1 4.38Å; F343-V357 HydrophobicContact CD2-CG1 4.23Å; F343-V357 HydrophobicContact CD2-CG2 4.11Å; F343-V357 HydrophobicContact CE2-CG2 4.36Å; N344-V357 CarbonylContact O-C 3.43Å; N344-V357 WeakPolarHBondContact O-CA 3.15Å; V357-V360 HydrophobicContact CG1-CG2 3.87Å; V357-L368 HydrophobicContact CG2-CD1 4.38Å; V357-K369 WeakPolarHBondContact CB-O 3.14Å; V357-T370 CarbonylContact O-C 3.56Å; V357-T370 WeakPolarHBondContact O-CA 3.47Å; V357-A371 PolarHBondContact O-N 2.88Å; V357-D372 HydrophobicContact CB-CB 4.43Å; V357-D372 HydrophobicContact CG2-CB 4.11Å; V357-D372 PolarHBondContact N-O 3.4Å; V357-L374 HydrophobicContact CG2-CD1 3.78Å; V357-M413 VanDerWaalsContact O-CE 3.23Å; V357-M413 WeakPolarHBondContact O-CE 3.44Å
358	Y	92	Very high	82.9	Confident	87 Å²	87	56 Å²	56	34%	0.341	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	-39.7	-178.9	-179.1	-117.4	0	0	0	112.5	N344 V346 Q356 T370 M413 P417	N344-Y358 PolarHBondContact O-N 3.06Å; V346-Y358 HydrophobicContact CB-CD2 4.27Å; V346-Y358 HydrophobicContact CB-CG 4.31Å; V346-Y358 HydrophobicContact CG1-CD2 3.99Å; V346-Y358 HydrophobicContact CG1-CG 4.29Å; Q356-Y358 PolarHBondContact O-N 2.75Å; Q356-Y358 VanDerWaalsContact O-N 3.15Å; Y358-T370 WeakPolarHBondContact O-CG2 3.23Å; Y358-M413 HydrophobicContact CD2-CE 4.32Å; Y358-M413 HydrophobicContact CD2-SD 4.5Å; Y358-P417 WeakPolarHBondContact OH-CA 3.26Å
359	S	89.9	Confident	83.4	Confident	34 Å²	34	61.7 Å²	61.7	24%	0.238	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	141.8	178	39.5	0	0	0	0	110.5	F343 N344	F343-S359 CarbonylContact C-O 3.59Å; F343-S359 WeakPolarHBondContact CA-O 3.33Å; N344-S359 PolarHBondContact N-O 2.81Å; N344-S359 PolarHBondContact ND2-OG 2.92Å
360	V	90.1	Very high	84.2	Confident	44 Å²	44	61.5 Å²	61.5	27%	0.267	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	134.2	165.8	-173.7	0	0	0	0	108.1	F343 V357 L368	F343-V360 HydrophobicContact CB-CG2 4.18Å; V357-V360 HydrophobicContact CG1-CG2 3.87Å; V360-L368 HydrophobicContact CG2-CB 4.06Å
361	T	85.8	Confident	85.2	Confident	40 Å²	40	54.2 Å²	54.2	25%	0.245	32%	0.324	C	S	.	.			trans	-76.7	161.4	177.5	66.9	0	0	0	0	111.2	G342 S363 G364	G342-T361 WeakPolarHBondContact CA-OG1 3.4Å; G342-T361 WeakPolarHBondContact O-CB 3.49Å; G342-T361 WeakPolarHBondContact O-CG2 3.43Å; G342-T361 PolarHBondContact O-N 2.98Å; G342-T361 PolarHBondContact O-OG1 3.34Å; T361-S363 PolarHBondContact O-N 2.88Å; T361-G364 WeakPolarHBondContact O-CA 3.46Å; T361-G364 PolarHBondContact O-N 3.3Å; T361-G364 PolarHBondContact OG1-N 3.29Å
362	A	74.9	Confident	86.8	Confident	122 Å²	122	49 Å²	49	100%	1.008	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-16.8	176.9	0	0	0	0	0	114.1
363	S	70.4	Confident	87.8	Confident	81 Å²	81	41.6 Å²	41.6	57%	0.566	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	26.4	171.8	67	0	0	0	0	112.1	R339 T361	R339-S363 PolarHBondContact NH1-OG 3.02Å; T361-S363 PolarHBondContact O-N 2.88Å
364	G	77.8	Confident	88.3	Confident	24 Å²	24	41.2 Å²	41.2	25%	0.247	26%	0.26	C	S	.	.	S	Bend	trans	-105	173.3	-179.8	0	0	0	0	0	113	G342 T361 S366	G342-G364 WeakPolarHBondContact O-CA 3.3Å; T361-G364 WeakPolarHBondContact O-CA 3.46Å; T361-G364 PolarHBondContact O-N 3.3Å; T361-G364 PolarHBondContact OG1-N 3.29Å; G364-S366 PolarHBondContact O-N 3.25Å
365	P	84.1	Confident	88.4	Confident	23 Å²	23	41 Å²	41	15%	0.149	26%	0.26	C	S	.	.			trans	-72.5	121.7	-174.8	28.6	-36.4	0	0	0	112.5	L334 F341 F343 T367 L368	L334-P365 HydrophobicContact CD1-CG 4.15Å; L334-P365 HydrophobicContact CD2-CB 3.38Å; L334-P365 HydrophobicContact CD2-CG 3.6Å; F341-P365 WeakPolarHBondContact O-CD 3.41Å; F343-P365 HydrophobicContact CD1-CG 4.41Å; P365-T367 PolarHBondContact O-N 2.96Å; P365-L368 HydrophobicContact CG-CB 4.37Å; P365-L368 HydrophobicContact CG-CD1 4.06Å; P365-L368 HydrophobicContact CG-CG 4.17Å; P365-L368 PolarHBondContact O-N 2.79Å
366	S	83.5	Confident	88.5	Confident	116 Å²	116	43.8 Å²	43.8	81%	0.811	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-12.7	175.3	54.4	0	0	0	0	114.3	G364	G364-S366 PolarHBondContact O-N 3.25Å
367	T	88.3	Confident	88.6	Confident	62 Å²	62	43.9 Å²	43.9	38%	0.38	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-31.9	173.3	49.1	0	0	0	0	112.5	P365 R409	P365-T367 PolarHBondContact O-N 2.96Å; T367-R409 PolarHBondContact O-NH2 2.86Å
368	L	92.8	Very high	88.3	Confident	5 Å²	5	47.7 Å²	47.7	3%	0.026	29%	0.291	C	S	.	.			trans	-90.1	152.9	175.5	-63.6	-173.5	0	0	0	111.6	A332 L334 F343 V357 V360 P365 V407	A332-L368 HydrophobicContact CB-CD2 3.92Å; A332-L368 HydrophobicContact CB-CG 4.33Å; L334-L368 HydrophobicContact CD1-CD1 3.97Å; F343-L368 HydrophobicContact CB-CD1 4.47Å; F343-L368 HydrophobicContact CD1-CD1 3.68Å; F343-L368 HydrophobicContact CD2-CD1 4.05Å; F343-L368 HydrophobicContact CE1-CD1 3.82Å; F343-L368 HydrophobicContact CE2-CD1 4.15Å; F343-L368 HydrophobicContact CG-CD1 3.81Å; F343-L368 HydrophobicContact CZ-CD1 4.06Å; V357-L368 HydrophobicContact CG2-CD1 4.38Å; V360-L368 HydrophobicContact CG2-CB 4.06Å; P365-L368 HydrophobicContact CG-CB 4.37Å; P365-L368 HydrophobicContact CG-CD1 4.06Å; P365-L368 HydrophobicContact CG-CG 4.17Å; P365-L368 PolarHBondContact O-N 2.79Å; L368-V407 HydrophobicContact CD2-CB 4.43Å; L368-V407 HydrophobicContact CD2-CG1 3.71Å; L368-V407 HydrophobicContact CD2-CG2 3.78Å
369	K	91	Very high	87.9	Confident	121 Å²	121	50.9 Å²	50.9	53%	0.526	31%	0.314	S	S	.	.			trans	-136.4	154.5	175.9	-68.3	-173.4	-179.7	-174.2	0	110.4	V357 A371 D372	V357-K369 WeakPolarHBondContact CB-O 3.14Å; K369-A371 PolarHBondContact O-N 3.14Å; K369-D372 PolarHBondContact N-OD2 3.16Å; K369-D372 WeakPolarHBondContact O-CB 3.38Å; K369-D372 PolarHBondContact O-N 2.85Å
370	T	91.1	Very high	87.9	Confident	80 Å²	80	51 Å²	51	49%	0.491	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	138.9	171.7	-59.2	0	0	0	0	110.9	V357 Y358 D372 M413	V357-T370 CarbonylContact O-C 3.56Å; V357-T370 WeakPolarHBondContact O-CA 3.47Å; Y358-T370 WeakPolarHBondContact O-CG2 3.23Å; T370-D372 VanDerWaalsContact C-N 3.34Å; T370-M413 HydrophobicContact CG2-CE 3.73Å
371	A	90.2	Very high	87.9	Confident	12 Å²	12	50.9 Å²	50.9	10%	0.099	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	-1.6	-175.4	0	0	0	0	0	117.6	Q356 V357 K369 I373 Y411 M413	Q356-A371 PolarHBondContact NE2-O 2.81Å; V357-A371 PolarHBondContact O-N 2.88Å; K369-A371 PolarHBondContact O-N 3.14Å; A371-I373 PolarHBondContact O-N 3.02Å; A371-Y411 WeakPolarHBondContact CB-O 3.32Å; A371-M413 HydrophobicContact CB-CB 3.99Å; A371-M413 HydrophobicContact CB-CE 4.13Å
372	D	94.4	Very high	88.2	Confident	4 Å²	4	49 Å²	49	2%	0.021	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-57.5	132.5	166.7	-69.3	-22.3	0	0	0	110.5	Q356 V357 K369 T370 V407 R409	Q356-D372 CarbonylContact C-O 3.57Å; Q356-D372 VanDerWaalsContact CA-O 3.29Å; Q356-D372 WeakPolarHBondContact CA-O 3.25Å; V357-D372 HydrophobicContact CB-CB 4.43Å; V357-D372 HydrophobicContact CG2-CB 4.11Å; V357-D372 PolarHBondContact N-O 3.4Å; K369-D372 PolarHBondContact N-OD2 3.16Å; K369-D372 WeakPolarHBondContact O-CB 3.38Å; K369-D372 PolarHBondContact O-N 2.85Å; T370-D372 VanDerWaalsContact C-N 3.34Å; D372-V407 HydrophobicContact CB-CB 3.97Å; D372-V407 HydrophobicContact CB-CG2 3.79Å; D372-R409 WeakPolarHBondContact OD1-CB 3.24Å; D372-R409 WeakPolarHBondContact OD1-CG 3.43Å; D372-R409 IonicContact OD1-CZ 3.86Å; D372-R409 IonicContact OD1-NE 3.29Å; D372-R409 PolarHBondContact OD1-NE 2.62Å; D372-R409 IonicContact OD1-NH2 3.7Å; D372-R409 IonicContact OD2-CZ 3.93Å; D372-R409 IonicContact OD2-NE 3.54Å; D372-R409 PolarHBondContact OD2-NE 3.49Å; D372-R409 IonicContact OD2-NH2 3.61Å; D372-R409 PolarHBondContact OD2-NH2 2.98Å
373	I	94.3	Very high	88.9	Confident	0 Å²	0	44 Å²	44	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	130.6	174.7	-68	177.3	0	0	0	109.1	F354 L355 Q356 A371 L383 V407 R408 Y411	F354-I373 HydrophobicContact CB-CD1 4.27Å; F354-I373 HydrophobicContact CB-CG1 4.39Å; F354-I373 HydrophobicContact CB-CG2 4.31Å; F354-I373 HydrophobicContact CD1-CD1 4.25Å; F354-I373 HydrophobicContact CD1-CG2 4.09Å; F354-I373 HydrophobicContact CD2-CD1 3.65Å; F354-I373 HydrophobicContact CE1-CD1 4.5Å; F354-I373 HydrophobicContact CE2-CD1 3.89Å; F354-I373 HydrophobicContact CG-CD1 3.83Å; F354-I373 HydrophobicContact CG-CG1 4.45Å; F354-I373 HydrophobicContact CG-CG2 4.31Å; F354-I373 HydrophobicContact CZ-CD1 4.31Å; L355-I373 CarbonylContact O-C 3.58Å; L355-I373 WeakPolarHBondContact O-CA 3.37Å; Q356-I373 HydrophobicContact CG-CG1 3.76Å; A371-I373 PolarHBondContact O-N 3.02Å; I373-L383 HydrophobicContact CG2-CD2 4.06Å; I373-V407 CarbonylContact O-C 3.49Å; I373-V407 WeakPolarHBondContact O-CA 3.43Å; I373-V407 VanDerWaalsContact O-CB 3.23Å; I373-V407 WeakPolarHBondContact O-CB 3.36Å; I373-R408 HydrophobicContact CB-CB 4.43Å; I373-R408 PolarHBondContact N-O 2.92Å; I373-R408 PolarHBondContact O-N 2.78Å; I373-Y411 HydrophobicContact CD1-CD1 3.73Å; I373-Y411 HydrophobicContact CD1-CD2 3.43Å; I373-Y411 VanDerWaalsContact CD1-CD2 3.43Å; I373-Y411 HydrophobicContact CD1-CE1 4.01Å; I373-Y411 HydrophobicContact CD1-CE2 3.73Å; I373-Y411 HydrophobicContact CD1-CG 3.43Å; I373-Y411 VanDerWaalsContact CD1-CG 3.43Å; I373-Y411 HydrophobicContact CG1-CD2 4.19Å; I373-Y411 HydrophobicContact CG1-CG 4.21Å
374	L	94.4	Very high	89.3	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	127.7	172.4	-71.6	77.6	0	0	0	109.7	F343 I345 L355 V357 I377 V382 L383 V407	F343-L374 HydrophobicContact CE2-CD2 4.34Å; I345-L374 HydrophobicContact CG2-CD1 3.72Å; I345-L374 HydrophobicContact CG2-CD2 4.03Å; L355-L374 HydrophobicContact CB-CB 4.34Å; L355-L374 PolarHBondContact O-N 2.87Å; V357-L374 HydrophobicContact CG2-CD1 3.78Å; L374-I377 HydrophobicContact CD2-CD1 4.09Å; L374-V382 HydrophobicContact CB-CG2 3.77Å; L374-L383 WeakPolarHBondContact O-CD2 3.4Å; L374-V407 HydrophobicContact CG-CG1 4.33Å
375	V	93.5	Very high	89.8	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.012	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	-50.7	-176.7	-169.9	0	0	0	0	110.6	P322 L325 C381 V382 L383 E406 R408	P322-V375 HydrophobicContact CB-CG1 3.71Å; P322-V375 HydrophobicContact CG-CG1 3.87Å; L325-V375 HydrophobicContact CD1-CG1 4.16Å; L325-V375 HydrophobicContact CD1-CG2 3.63Å; V375-C381 CarbonylContact O-C 3.54Å; V375-C381 WeakPolarHBondContact O-CA 3.45Å; V375-V382 PolarHBondContact O-N 3.49Å; V375-L383 HydrophobicContact CG1-CD1 4.25Å; V375-L383 HydrophobicContact CG1-CG 4.31Å; V375-E406 PolarHBondContact N-O 3.42Å; V375-R408 HydrophobicContact CG2-CB 3.9Å
376	Y	94.2	Very high	89.9	Confident	61 Å²	61	44.3 Å²	44.3	24%	0.239	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	149	176.6	-71.7	-87.6	0	0	0	111.7	P322 D379 A380 C381 I405 E406	P322-Y376 HydrophobicContact CB-CE2 4.19Å; P322-Y376 HydrophobicContact CG-CE2 3.9Å; Y376-D379 WeakPolarHBondContact CD1-O 3.46Å; Y376-A380 VanDerWaalsContact CA-O 3.31Å; Y376-A380 WeakPolarHBondContact CA-O 3Å; Y376-C381 HydrophobicContact CD1-CB 4.02Å; Y376-C381 HydrophobicContact CE1-CB 3.61Å; Y376-I405 WeakPolarHBondContact O-CA 3.39Å; Y376-I405 WeakPolarHBondContact O-CG2 3.43Å; Y376-E406 HydrophobicContact CD2-CB 4.24Å; Y376-E406 VanDerWaalsContact CD2-OE2 3.25Å; Y376-E406 WeakPolarHBondContact CD2-OE2 3.33Å; Y376-E406 PolarHBondContact N-O 2.91Å; Y376-E406 VanDerWaalsContact N-O 3.1Å; Y376-E406 PolarHBondContact O-N 2.83Å
377	I	94	Very high	90.1	Very high	2 Å²	2	42 Å²	42	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	117.3	167	-55.1	176	0	0	0	106.9	L374 D379 A380 V382 M393 L394 I403 D404 I405	L374-I377 HydrophobicContact CD2-CD1 4.09Å; I377-D379 PolarHBondContact O-N 3.5Å; I377-A380 PolarHBondContact N-O 3.13Å; I377-A380 WeakPolarHBondContact O-CB 3.2Å; I377-A380 PolarHBondContact O-N 2.9Å; I377-A380 VanDerWaalsContact O-N 3.1Å; I377-V382 HydrophobicContact CB-CG1 4.22Å; I377-V382 HydrophobicContact CD1-CG1 3.87Å; I377-V382 HydrophobicContact CD1-CG2 4.44Å; I377-V382 HydrophobicContact CG1-CG1 3.86Å; I377-V382 HydrophobicContact CG1-CG2 4.33Å; I377-M393 HydrophobicContact CB-SD 3.7Å; I377-M393 HydrophobicContact CD1-SD 4.35Å; I377-M393 HydrophobicContact CG2-CG 4.35Å; I377-M393 HydrophobicContact CG2-SD 3.89Å; I377-L394 HydrophobicContact CD1-CD1 4.34Å; I377-L394 HydrophobicContact CD1-CD2 3.99Å; I377-L394 HydrophobicContact CD1-CG 4Å; I377-L394 HydrophobicContact CG2-CD2 4.15Å; I377-I403 HydrophobicContact CG2-CD1 4.24Å; I377-D404 CarbonylContact C-O 3.53Å; I377-D404 WeakPolarHBondContact CA-O 3.39Å; I377-I405 HydrophobicContact CG1-CG1 4.41Å; I377-I405 HydrophobicContact CG1-CG2 4.42Å
378	N	88	Confident	90.2	Very high	81 Å²	81	45 Å²	45	43%	0.433	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.5	57.9	-173.8	-68.1	2.4	0	0	0	112.2	A380 I403 D404	N378-A380 PolarHBondContact O-N 2.67Å; N378-I403 WeakPolarHBondContact OD1-CA 3.29Å; N378-I403 WeakPolarHBondContact OD1-CB 3.49Å; N378-I403 WeakPolarHBondContact OD1-CG2 3.44Å; N378-D404 PolarHBondContact N-O 3.04Å; N378-D404 PolarHBondContact OD1-N 2.89Å
379	D	84.3	Confident	90	Very high	153 Å²	153	49.4 Å²	49.4	82%	0.818	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	-5.5	-178.1	-52.2	-47.3	0	0	0	116.7	Y376 I377	Y376-D379 WeakPolarHBondContact CD1-O 3.46Å; I377-D379 PolarHBondContact O-N 3.5Å
380	A	89.1	Confident	89.9	Confident	36 Å²	36	43.7 Å²	43.7	30%	0.298	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	121	172.4	0	0	0	0	0	110.7	Y376 I377 N378 V382 M393	Y376-A380 VanDerWaalsContact CA-O 3.31Å; Y376-A380 WeakPolarHBondContact CA-O 3Å; I377-A380 PolarHBondContact N-O 3.13Å; I377-A380 WeakPolarHBondContact O-CB 3.2Å; I377-A380 PolarHBondContact O-N 2.9Å; I377-A380 VanDerWaalsContact O-N 3.1Å; N378-A380 PolarHBondContact O-N 2.67Å; A380-V382 PolarHBondContact O-N 3.18Å; A380-M393 HydrophobicContact CB-CE 3.95Å; A380-M393 HydrophobicContact CB-SD 4.16Å
381	C	90.6	Very high	89.9	Confident	43 Å²	43	41.3 Å²	41.3	29%	0.291	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	123.2	175.4	-175.1	0	0	0	0	109.8	V375 Y376 M385	V375-C381 CarbonylContact O-C 3.54Å; V375-C381 WeakPolarHBondContact O-CA 3.45Å; Y376-C381 HydrophobicContact CD1-CB 4.02Å; Y376-C381 HydrophobicContact CE1-CB 3.61Å; C381-M385 VanDerWaalsContact O-CE 3.32Å; C381-M385 WeakPolarHBondContact O-CE 3.45Å
382	V	91.3	Very high	89.9	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.006	24%	0.242	C	C	.	.			trans	-103.9	5.2	-178.6	-55.8	0	0	0	0	113.7	L355 L374 V375 I377 A380 G384 M385 M393	L355-V382 HydrophobicContact CD1-CB 4.43Å; L374-V382 HydrophobicContact CB-CG2 3.77Å; V375-V382 PolarHBondContact O-N 3.49Å; I377-V382 HydrophobicContact CB-CG1 4.22Å; I377-V382 HydrophobicContact CD1-CG1 3.87Å; I377-V382 HydrophobicContact CD1-CG2 4.44Å; I377-V382 HydrophobicContact CG1-CG1 3.86Å; I377-V382 HydrophobicContact CG1-CG2 4.33Å; A380-V382 PolarHBondContact O-N 3.18Å; V382-G384 PolarHBondContact O-N 2.84Å; V382-M385 HydrophobicContact CB-SD 4.1Å; V382-M385 HydrophobicContact CG1-SD 3.85Å; V382-M385 PolarHBondContact O-N 3.03Å; V382-M393 HydrophobicContact CG1-CE 4.18Å; V382-M393 HydrophobicContact CG1-SD 4.22Å
383	L	88.7	Confident	89.6	Confident	17 Å²	17	47.3 Å²	47.3	9%	0.089	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	125	170.9	-58.9	-177.7	0	0	0	110	P322 L325 F354 I373 L374 V375 M385	P322-L383 HydrophobicContact CB-CD1 4.35Å; P322-L383 HydrophobicContact CG-CD1 3.82Å; L325-L383 HydrophobicContact CD1-CD1 3.82Å; L325-L383 HydrophobicContact CD1-CD2 4Å; L325-L383 HydrophobicContact CG-CD1 4.34Å; F354-L383 HydrophobicContact CD1-CD2 4.22Å; F354-L383 HydrophobicContact CE1-CD2 4.36Å; I373-L383 HydrophobicContact CG2-CD2 4.06Å; L374-L383 WeakPolarHBondContact O-CD2 3.4Å; V375-L383 HydrophobicContact CG1-CD1 4.25Å; V375-L383 HydrophobicContact CG1-CG 4.31Å; L383-M385 PolarHBondContact O-N 3.36Å
384	G	80.9	Confident	89.4	Confident	35 Å²	35	48.2 Å²	48.2	36%	0.361	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	-8.9	-179.3	0	0	0	0	0	115.3	V382	V382-G384 PolarHBondContact O-N 2.84Å
385	M	86.5	Confident	89.2	Confident	58 Å²	58	55.1 Å²	55.1	29%	0.286	29%	0.287	S	S	.	.			trans	-63.7	149.4	167.7	-72.4	-169.4	174.9	0	0	110.9	C381 V382 L383 E389 M393	C381-M385 VanDerWaalsContact O-CE 3.32Å; C381-M385 WeakPolarHBondContact O-CE 3.45Å; V382-M385 HydrophobicContact CB-SD 4.1Å; V382-M385 HydrophobicContact CG1-SD 3.85Å; V382-M385 PolarHBondContact O-N 3.03Å; L383-M385 PolarHBondContact O-N 3.36Å; M385-E389 HydrophobicContact CB-CB 4.49Å; M385-M393 HydrophobicContact CE-CE 4Å; M385-M393 HydrophobicContact SD-CE 3.8Å
386	S	87.4	Confident	88.9	Confident	40 Å²	40	59.5 Å²	59.5	28%	0.28	32%	0.318	S	S	.	.			trans	-70.6	156.9	172.9	74.4	0	0	0	0	111.5	K388 E389 A390	S386-K388 PolarHBondContact O-N 3.37Å; S386-K388 VanDerWaalsContact O-N 3.14Å; S386-K388 PolarHBondContact OG-N 2.86Å; S386-E389 WeakPolarHBondContact CA-OE2 3.07Å; S386-E389 WeakPolarHBondContact CB-OE2 3.28Å; S386-E389 PolarHBondContact N-OE2 3.3Å; S386-E389 PolarHBondContact O-N 3.27Å; S386-E389 VanDerWaalsContact O-N 3.12Å; S386-E389 PolarHBondContact OG-N 3.29Å; S386-E389 PolarHBondContact OG-OE2 3.12Å; S386-A390 PolarHBondContact O-N 2.84Å
387	H	88.4	Confident	88.7	Confident	68 Å²	68	57.4 Å²	57.4	32%	0.315	31%	0.312	S	S	.	.	H	α-helix	trans	-51.1	-37	171.6	-167.2	96	0	0	0	112.6	I345 G347 G348 L355 V391	I345-H387 PolarHBondContact O-CE1 3.5Å; G347-H387 WeakPolarHBondContact O-CB 3.42Å; G347-H387 PolarHBondContact O-ND1 2.88Å; G348-H387 WeakPolarHBondContact O-CB 3.47Å; G348-H387 PolarHBondContact O-N 3.34Å; L355-H387 HydrophobicContact CD2-CB 4.36Å; H387-V391 WeakPolarHBondContact O-CB 3.17Å; H387-V391 WeakPolarHBondContact O-CG2 3.32Å; H387-V391 PolarHBondContact O-N 2.85Å; H387-V391 VanDerWaalsContact O-N 3.07Å
388	K	89	Confident	88.4	Confident	125 Å²	125	60.6 Å²	60.6	54%	0.543	33%	0.333	S	S	.	.	H	α-helix	trans	-65.3	-46.4	-179.6	177.9	-178.6	169.3	-64.7	0	111.2	S386 V391 E392	S386-K388 PolarHBondContact O-N 3.37Å; S386-K388 VanDerWaalsContact O-N 3.14Å; S386-K388 PolarHBondContact OG-N 2.86Å; K388-V391 PolarHBondContact O-N 2.54Å; K388-E392 WeakPolarHBondContact CE-OE1 3.08Å; K388-E392 HydrophobicContact CG-CG 4.44Å; K388-E392 IonicContact NZ-OE1 2.68Å; K388-E392 PolarHBondContact NZ-OE1 2.85Å; K388-E392 IonicContact NZ-OE2 3.88Å; K388-E392 PolarHBondContact NZ-OE2 3.08Å; K388-E392 WeakPolarHBondContact O-CB 3.3Å; K388-E392 VanDerWaalsContact O-CG 3.32Å; K388-E392 WeakPolarHBondContact O-CG 3.35Å; K388-E392 PolarHBondContact O-N 3.17Å
389	E	88.5	Confident	88.3	Confident	98 Å²	98	61.2 Å²	61.2	46%	0.458	34%	0.339	S	S	.	.	H	α-helix	trans	-67.6	-47.3	-176	-71.4	146.2	156.2	0	0	111.4	M385 S386 V391 E392 M393	M385-E389 HydrophobicContact CB-CB 4.49Å; S386-E389 WeakPolarHBondContact CA-OE2 3.07Å; S386-E389 WeakPolarHBondContact CB-OE2 3.28Å; S386-E389 PolarHBondContact N-OE2 3.3Å; S386-E389 PolarHBondContact O-N 3.27Å; S386-E389 VanDerWaalsContact O-N 3.12Å; S386-E389 PolarHBondContact OG-N 3.29Å; S386-E389 PolarHBondContact OG-OE2 3.12Å; E389-V391 VanDerWaalsContact C-N 3.33Å; E389-V391 PolarHBondContact O-N 3.48Å; E389-E392 PolarHBondContact O-N 3.34Å; E389-E392 VanDerWaalsContact O-N 3.15Å; E389-M393 WeakPolarHBondContact O-CB 3.47Å; E389-M393 PolarHBondContact O-N 3.2Å
390	A	89.4	Confident	88.3	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-62.7	-38.4	175.5	0	0	0	0	0	112.3	I345 L355 S386 M393 L394	I345-A390 HydrophobicContact CD1-CB 4.42Å; L355-A390 HydrophobicContact CD1-CB 3.47Å; L355-A390 VanDerWaalsContact CD1-CB 3.47Å; S386-A390 PolarHBondContact O-N 2.84Å; A390-M393 PolarHBondContact O-N 3.14Å; A390-L394 WeakPolarHBondContact O-CG 3.44Å; A390-L394 PolarHBondContact O-N 3.17Å
391	V	91.1	Very high	88.2	Confident	30 Å²	30	60.1 Å²	60.1	18%	0.182	34%	0.337	C	S	.	.	H	α-helix	trans	-69.4	-33.4	174.2	167.3	0	0	0	0	112.3	I345 H387 K388 E389 K395	I345-V391 HydrophobicContact CD1-CG2 3.93Å; I345-V391 HydrophobicContact CG1-CG2 4.25Å; H387-V391 WeakPolarHBondContact O-CB 3.17Å; H387-V391 WeakPolarHBondContact O-CG2 3.32Å; H387-V391 PolarHBondContact O-N 2.85Å; H387-V391 VanDerWaalsContact O-N 3.07Å; K388-V391 PolarHBondContact O-N 2.54Å; E389-V391 VanDerWaalsContact C-N 3.33Å; E389-V391 PolarHBondContact O-N 3.48Å; V391-K395 HydrophobicContact CG1-CD 3.77Å; V391-K395 HydrophobicContact CG1-CG 4.44Å; V391-K395 VanDerWaalsContact O-CB 3.23Å; V391-K395 WeakPolarHBondContact O-CB 3.36Å; V391-K395 WeakPolarHBondContact O-CD 3.24Å; V391-K395 WeakPolarHBondContact O-CG 3.34Å; V391-K395 PolarHBondContact O-N 2.84Å
392	E	89.9	Confident	88.1	Confident	93 Å²	93	60.6 Å²	60.6	44%	0.435	34%	0.341	S	S	.	.	H	α-helix	trans	-71.8	-38.1	175.1	-78.9	171.1	174.8	0	0	111.5	K388 E389 K395 S396	K388-E392 WeakPolarHBondContact CE-OE1 3.08Å; K388-E392 HydrophobicContact CG-CG 4.44Å; K388-E392 IonicContact NZ-OE1 2.68Å; K388-E392 PolarHBondContact NZ-OE1 2.85Å; K388-E392 IonicContact NZ-OE2 3.88Å; K388-E392 PolarHBondContact NZ-OE2 3.08Å; K388-E392 WeakPolarHBondContact O-CB 3.3Å; K388-E392 VanDerWaalsContact O-CG 3.32Å; K388-E392 WeakPolarHBondContact O-CG 3.35Å; K388-E392 PolarHBondContact O-N 3.17Å; E389-E392 PolarHBondContact O-N 3.34Å; E389-E392 VanDerWaalsContact O-N 3.15Å; E392-K395 CarbonylContact O-C 3.57Å; E392-K395 PolarHBondContact O-N 2.75Å; E392-K395 VanDerWaalsContact O-N 3.08Å; E392-S396 PolarHBondContact O-N 3.13Å
393	M	88.4	Confident	88.2	Confident	49 Å²	49	60.6 Å²	60.6	24%	0.241	34%	0.341	C	S	.	.	H	α-helix	trans	-62.2	-45.5	171.7	-166	-173.8	-62.6	0	0	111.9	I377 A380 V382 M385 E389 A390 K395 S396	I377-M393 HydrophobicContact CB-SD 3.7Å; I377-M393 HydrophobicContact CD1-SD 4.35Å; I377-M393 HydrophobicContact CG2-CG 4.35Å; I377-M393 HydrophobicContact CG2-SD 3.89Å; A380-M393 HydrophobicContact CB-CE 3.95Å; A380-M393 HydrophobicContact CB-SD 4.16Å; V382-M393 HydrophobicContact CG1-CE 4.18Å; V382-M393 HydrophobicContact CG1-SD 4.22Å; M385-M393 HydrophobicContact CE-CE 4Å; M385-M393 HydrophobicContact SD-CE 3.8Å; E389-M393 WeakPolarHBondContact O-CB 3.47Å; E389-M393 PolarHBondContact O-N 3.2Å; A390-M393 PolarHBondContact O-N 3.14Å; M393-K395 PolarHBondContact O-N 2.87Å; M393-S396 PolarHBondContact O-OG 2.93Å
394	L	90.7	Very high	88.3	Confident	20 Å²	20	63.7 Å²	63.7	11%	0.105	36%	0.358	C	S	.	.	H	α-helix	trans	-67.7	-22.3	172.1	-67.9	172.1	0	0	0	112.7	K336 F341 F343 I345 I377 A390 I403 I405	K336-L394 PolarHBondContact NZ-O 3.34Å; F341-L394 HydrophobicContact CD2-CB 4.38Å; F341-L394 HydrophobicContact CD2-CD2 3.89Å; F341-L394 HydrophobicContact CE2-CB 4.12Å; F341-L394 HydrophobicContact CE2-CD2 3.74Å; F341-L394 WeakPolarHBondContact CE2-O 3.44Å; F343-L394 HydrophobicContact CZ-CD1 4.16Å; I345-L394 HydrophobicContact CD1-CD1 4.36Å; I377-L394 HydrophobicContact CD1-CD1 4.34Å; I377-L394 HydrophobicContact CD1-CD2 3.99Å; I377-L394 HydrophobicContact CD1-CG 4Å; I377-L394 HydrophobicContact CG2-CD2 4.15Å; A390-L394 WeakPolarHBondContact O-CG 3.44Å; A390-L394 PolarHBondContact O-N 3.17Å; L394-I403 HydrophobicContact CD2-CD1 3.34Å; L394-I405 HydrophobicContact CD2-CD1 4.12Å
395	K	88.8	Confident	89	Confident	146 Å²	146	62.1 Å²	62.1	64%	0.635	34%	0.341	S	S	*	.	H	α-helix	trans	-86.2	-31.4	179	-82.1	170.4	-177.1	166.8	0	114	K336 V391 E392 M393 V397	K336-K395 VanDerWaalsContact NZ-C 3.31Å; K336-K395 PolarHBondContact NZ-O 3.44Å; V391-K395 HydrophobicContact CG1-CD 3.77Å; V391-K395 HydrophobicContact CG1-CG 4.44Å; V391-K395 VanDerWaalsContact O-CB 3.23Å; V391-K395 WeakPolarHBondContact O-CB 3.36Å; V391-K395 WeakPolarHBondContact O-CD 3.24Å; V391-K395 WeakPolarHBondContact O-CG 3.34Å; V391-K395 PolarHBondContact O-N 2.84Å; E392-K395 CarbonylContact O-C 3.57Å; E392-K395 PolarHBondContact O-N 2.75Å; E392-K395 VanDerWaalsContact O-N 3.08Å; M393-K395 PolarHBondContact O-N 2.87Å; K395-V397 PolarHBondContact O-N 2.86Å
396	S	88.8	Confident	89.4	Confident	94 Å²	94	61 Å²	61	66%	0.657	34%	0.335	S	S	*	.	H	α-helix	trans	-66.3	-34.8	-177.6	61.8	0	0	0	0	113.6	E392 M393	E392-S396 PolarHBondContact O-N 3.13Å; M393-S396 PolarHBondContact O-OG 2.93Å
397	V	89.1	Confident	89.7	Confident	17 Å²	17	59.1 Å²	59.1	10%	0.103	32%	0.322	C	S	.	.	S	Bend	trans	-52.5	130	175.6	-177.4	0	0	0	0	110.4	K336 F341 K395 H401 I403	K336-V397 HydrophobicContact CB-CG1 4.43Å; K336-V397 HydrophobicContact CD-CB 4.03Å; K336-V397 HydrophobicContact CD-CG1 4.12Å; K336-V397 WeakPolarHBondContact CD-O 3.44Å; K336-V397 WeakPolarHBondContact CE-O 3.28Å; K336-V397 PolarHBondContact NZ-O 3.41Å; F341-V397 HydrophobicContact CZ-CB 4.14Å; F341-V397 HydrophobicContact CZ-CG1 4.04Å; F341-V397 HydrophobicContact CZ-CG2 4.29Å; K395-V397 PolarHBondContact O-N 2.86Å; V397-H401 HydrophobicContact CG1-CB 3.86Å; V397-I403 HydrophobicContact CB-CG2 4.3Å; V397-I403 HydrophobicContact CG1-CG2 4Å; V397-I403 HydrophobicContact CG2-CG2 3.39Å
398	P	87.6	Confident	90	Very high	69 Å²	69	57.9 Å²	57.9	45%	0.448	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-69.3	157.5	176.4	-18.8	31.6	0	0	0	113	H401	P398-H401 WeakPolarHBondContact O-CB 3.33Å; P398-H401 PolarHBondContact O-N 2.9Å
399	V	86.8	Confident	90.1	Very high	94 Å²	94	53.9 Å²	53.9	57%	0.57	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	140.1	171.1	175.8	0	0	0	0	109.2	H401	V399-H401 VanDerWaalsContact C-N 3.26Å; V399-H401 PolarHBondContact O-N 3.17Å
400	G	83.4	Confident	89.9	Confident	55 Å²	55	51.8 Å²	51.8	57%	0.567	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	-9.7	-174.4	0	0	0	0	0	115.1	K336	K336-G400 PolarHBondContact O-N 3.23Å
401	H	86.8	Confident	89.7	Confident	110 Å²	110	53.4 Å²	53.4	51%	0.509	31%	0.307	S	S	.	.			trans	-87.4	155.5	171.9	-67.2	44.3	0	0	0	110.6	K336 V397 P398 V399	K336-H401 PolarHBondContact N-O 2.88Å; V397-H401 HydrophobicContact CG1-CB 3.86Å; P398-H401 WeakPolarHBondContact O-CB 3.33Å; P398-H401 PolarHBondContact O-N 2.9Å; V399-H401 VanDerWaalsContact C-N 3.26Å; V399-H401 PolarHBondContact O-N 3.17Å
402	S	88.8	Confident	89.4	Confident	53 Å²	53	56.3 Å²	56.3	37%	0.371	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	165.4	174.9	53.2	0	0	0	0	113.7	H333 L334	H333-S402 WeakPolarHBondContact CE1-CB 3.17Å; H333-S402 WeakPolarHBondContact NE2-CB 3.48Å; H333-S402 PolarHBondContact NE2-OG 3.24Å; L334-S402 CarbonylContact O-C 3.48Å; L334-S402 WeakPolarHBondContact O-CA 3.32Å
403	I	92.9	Very high	89.3	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.01	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	156.8	163.2	57.1	177.6	0	0	0	109.5	H333 L334 F341 I377 N378 L394 V397 I405	H333-I403 CarbonylContact C-O 3.54Å; H333-I403 WeakPolarHBondContact CA-O 2.97Å; L334-I403 HydrophobicContact CB-CG1 4Å; L334-I403 PolarHBondContact N-O 3.22Å; L334-I403 PolarHBondContact O-N 3.22Å; F341-I403 HydrophobicContact CD1-CD1 4.09Å; F341-I403 HydrophobicContact CD1-CG1 4.22Å; F341-I403 HydrophobicContact CD2-CD1 4Å; F341-I403 HydrophobicContact CE1-CD1 3.63Å; F341-I403 HydrophobicContact CE1-CG1 3.59Å; F341-I403 HydrophobicContact CE1-CG2 4.45Å; F341-I403 HydrophobicContact CE2-CD1 3.53Å; F341-I403 HydrophobicContact CE2-CG1 4.38Å; F341-I403 HydrophobicContact CG-CD1 4.25Å; F341-I403 HydrophobicContact CZ-CB 4.46Å; F341-I403 HydrophobicContact CZ-CD1 3.34Å; F341-I403 HydrophobicContact CZ-CG1 3.7Å; F341-I403 HydrophobicContact CZ-CG2 3.97Å; I377-I403 HydrophobicContact CG2-CD1 4.24Å; N378-I403 WeakPolarHBondContact OD1-CA 3.29Å; N378-I403 WeakPolarHBondContact OD1-CB 3.49Å; N378-I403 WeakPolarHBondContact OD1-CG2 3.44Å; L394-I403 HydrophobicContact CD2-CD1 3.34Å; V397-I403 HydrophobicContact CB-CG2 4.3Å; V397-I403 HydrophobicContact CG1-CG2 4Å; V397-I403 HydrophobicContact CG2-CG2 3.39Å; I403-I405 HydrophobicContact CD1-CD1 3.69Å; I403-I405 HydrophobicContact CD1-CG1 3.71Å; I403-I405 HydrophobicContact CG1-CD1 4.49Å; I403-I405 HydrophobicContact CG1-CG1 4.11Å
404	D	91.8	Very high	89	Confident	81 Å²	81	52.9 Å²	52.9	43%	0.433	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	128	164	-74.9	-65.1	0	0	0	109.6	H333 I377 N378	H333-D404 WeakPolarHBondContact CA-OD1 3.41Å; H333-D404 VanDerWaalsContact CB-OD1 3.25Å; H333-D404 WeakPolarHBondContact CB-OD1 3.33Å; H333-D404 IonicContact CD2-OD1 3.85Å; H333-D404 PolarHBondContact CD2-OD1 3.32Å; H333-D404 IonicContact CD2-OD2 2.68Å; H333-D404 IonicContact CG-OD1 3.37Å; I377-D404 CarbonylContact C-O 3.53Å; I377-D404 WeakPolarHBondContact CA-O 3.39Å; N378-D404 PolarHBondContact N-O 3.04Å; N378-D404 PolarHBondContact OD1-N 2.89Å
405	I	95.1	Very high	88.6	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.01	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	127.6	172.7	-53.6	-170.1	0	0	0	108.7	H331 A332 L334 F343 Y376 I377 L394 I403 V407	H331-I405 CarbonylContact C-O 3.59Å; H331-I405 WeakPolarHBondContact CA-O 3.45Å; A332-I405 PolarHBondContact N-O 2.98Å; A332-I405 PolarHBondContact O-N 2.76Å; L334-I405 HydrophobicContact CD1-CD1 3.63Å; L334-I405 HydrophobicContact CD1-CG1 4.18Å; F343-I405 HydrophobicContact CE1-CD1 3.96Å; F343-I405 HydrophobicContact CZ-CD1 3.57Å; Y376-I405 WeakPolarHBondContact O-CA 3.39Å; Y376-I405 WeakPolarHBondContact O-CG2 3.43Å; I377-I405 HydrophobicContact CG1-CG1 4.41Å; I377-I405 HydrophobicContact CG1-CG2 4.42Å; L394-I405 HydrophobicContact CD2-CD1 4.12Å; I403-I405 HydrophobicContact CD1-CD1 3.69Å; I403-I405 HydrophobicContact CD1-CG1 3.71Å; I403-I405 HydrophobicContact CG1-CD1 4.49Å; I403-I405 HydrophobicContact CG1-CG1 4.11Å; I405-V407 HydrophobicContact CG2-CG1 3.56Å
406	E	94.3	Very high	88.1	Confident	35 Å²	35	48.1 Å²	48.1	16%	0.164	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	127.7	160	-166.4	-170.6	169.2	0	0	109.2	P329 H331 V375 Y376	P329-E406 HydrophobicContact CB-CG 4.37Å; P329-E406 WeakPolarHBondContact CB-OE1 3.38Å; H331-E406 IonicContact CE1-OE1 2.73Å; V375-E406 PolarHBondContact N-O 3.42Å; Y376-E406 HydrophobicContact CD2-CB 4.24Å; Y376-E406 VanDerWaalsContact CD2-OE2 3.25Å; Y376-E406 WeakPolarHBondContact CD2-OE2 3.33Å; Y376-E406 PolarHBondContact N-O 2.91Å; Y376-E406 VanDerWaalsContact N-O 3.1Å; Y376-E406 PolarHBondContact O-N 2.83Å
407	V	95.3	Very high	87.2	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	148.7	171.6	-53.9	0	0	0	0	111.7	P329 V330 L368 D372 I373 L374 I405	P329-V407 CarbonylContact C-O 3.51Å; V330-V407 HydrophobicContact CB-CG2 3.85Å; V330-V407 HydrophobicContact CG1-CG2 4.41Å; V330-V407 PolarHBondContact N-O 2.97Å; V330-V407 PolarHBondContact O-N 2.92Å; L368-V407 HydrophobicContact CD2-CB 4.43Å; L368-V407 HydrophobicContact CD2-CG1 3.71Å; L368-V407 HydrophobicContact CD2-CG2 3.78Å; D372-V407 HydrophobicContact CB-CB 3.97Å; D372-V407 HydrophobicContact CB-CG2 3.79Å; I373-V407 CarbonylContact O-C 3.49Å; I373-V407 WeakPolarHBondContact O-CA 3.43Å; I373-V407 VanDerWaalsContact O-CB 3.23Å; I373-V407 WeakPolarHBondContact O-CB 3.36Å; L374-V407 HydrophobicContact CG-CG1 4.33Å; I405-V407 HydrophobicContact CG2-CG1 3.56Å
408	R	94.1	Very high	86.2	Confident	42 Å²	42	53.7 Å²	53.7	16%	0.158	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	121.4	170.8	-151.1	78.1	159.9	-174	-10.5	110.3	L325 R326 G327 I373 V375 Y411	L325-R408 HydrophobicContact CB-CB 4.41Å; L325-R408 HydrophobicContact CB-CG 3.88Å; L325-R408 HydrophobicContact CD1-CB 4.16Å; L325-R408 HydrophobicContact CD1-CG 4.48Å; L325-R408 VanDerWaalsContact O-CZ 3.23Å; L325-R408 PolarHBondContact O-NE 2.99Å; L325-R408 PolarHBondContact O-NH2 2.79Å; R326-R408 VanDerWaalsContact O-CG 3.29Å; R326-R408 WeakPolarHBondContact O-CG 3.5Å; G327-R408 PolarHBondContact O-NE 2.87Å; I373-R408 HydrophobicContact CB-CB 4.43Å; I373-R408 PolarHBondContact N-O 2.92Å; I373-R408 PolarHBondContact O-N 2.78Å; V375-R408 HydrophobicContact CG2-CB 3.9Å; R408-Y411 HydrophobicContact CG-CE2 4.44Å
409	R	91.4	Very high	85	Confident	41 Å²	41	52 Å²	52	16%	0.155	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	134.5	178	-175.9	165.1	-67.9	150.6	4.5	110.9	G327 F328 V330 T367 D372	G327-R409 CarbonylContact C-O 3.53Å; G327-R409 VanDerWaalsContact CA-O 3.3Å; G327-R409 WeakPolarHBondContact CA-O 3.23Å; F328-R409 HydrophobicContact CD2-CB 4.23Å; F328-R409 HydrophobicContact CE1-CB 4.23Å; F328-R409 HydrophobicContact CE1-CG 4.04Å; F328-R409 HydrophobicContact CE2-CB 3.92Å; F328-R409 HydrophobicContact CE2-CG 4.12Å; F328-R409 HydrophobicContact CZ-CB 3.93Å; F328-R409 VanDerWaalsContact CZ-CD 3.5Å; F328-R409 HydrophobicContact CZ-CG 3.68Å; F328-R409 PolarHBondContact N-O 3.19Å; F328-R409 PolarHBondContact O-N 2.82Å; V330-R409 HydrophobicContact CG2-CB 3.95Å; T367-R409 PolarHBondContact O-NH2 2.86Å; D372-R409 WeakPolarHBondContact OD1-CB 3.24Å; D372-R409 WeakPolarHBondContact OD1-CG 3.43Å; D372-R409 IonicContact OD1-CZ 3.86Å; D372-R409 IonicContact OD1-NE 3.29Å; D372-R409 PolarHBondContact OD1-NE 2.62Å; D372-R409 IonicContact OD1-NH2 3.7Å; D372-R409 IonicContact OD2-CZ 3.93Å; D372-R409 IonicContact OD2-NE 3.54Å; D372-R409 PolarHBondContact OD2-NE 3.49Å; D372-R409 IonicContact OD2-NH2 3.61Å; D372-R409 PolarHBondContact OD2-NH2 2.98Å
410	G	83	Confident	84.2	Confident	55 Å²	55	56.4 Å²	56.4	57%	0.567	32%	0.321	S	S	*	.			trans	134.2	-5.5	179.9	0	0	0	0	0	114.9
411	Y	85.2	Confident	83.5	Confident	34 Å²	34	56.5 Å²	56.5	13%	0.133	31%	0.312	C	S	.	.			trans	-90.2	145.8	176.3	-75.7	-97.7	0	0	0	112.2	L325 R326 F354 A371 I373 R408	L325-Y411 WeakPolarHBondContact CA-OH 3.4Å; L325-Y411 HydrophobicContact CB-CE2 4.44Å; L325-Y411 HydrophobicContact CD2-CE2 4.43Å; R326-Y411 PolarHBondContact N-OH 2.69Å; R326-Y411 WeakPolarHBondContact O-CE2 3.42Å; F354-Y411 HydrophobicContact CE2-CE1 4.32Å; A371-Y411 WeakPolarHBondContact CB-O 3.32Å; I373-Y411 HydrophobicContact CD1-CD1 3.73Å; I373-Y411 HydrophobicContact CD1-CD2 3.43Å; I373-Y411 VanDerWaalsContact CD1-CD2 3.43Å; I373-Y411 HydrophobicContact CD1-CE1 4.01Å; I373-Y411 HydrophobicContact CD1-CE2 3.73Å; I373-Y411 HydrophobicContact CD1-CG 3.43Å; I373-Y411 VanDerWaalsContact CD1-CG 3.43Å; I373-Y411 HydrophobicContact CG1-CD2 4.19Å; I373-Y411 HydrophobicContact CG1-CG 4.21Å; R408-Y411 HydrophobicContact CG-CE2 4.44Å
412	P	85	Confident	82.8	Confident	90 Å²	90	55.7 Å²	55.7	58%	0.584	31%	0.307	S	S	*	.			trans	-72.1	160.8	168.8	32.2	-35	0	0	0	110.9	Q356 L414	Q356-P412 PolarHBondContact NE2-O 3.21Å; P412-L414 HydrophobicContact CG-CD2 4.15Å; P412-L414 PolarHBondContact O-N 3.14Å; P412-L414 VanDerWaalsContact O-N 3.07Å
413	M	88.8	Confident	80.9	Confident	36 Å²	36	61 Å²	61	18%	0.177	33%	0.326	C	S	.	.			trans	-67.2	106	173.6	175.7	51.2	67.9	0	0	110.3	V346 Q356 V357 Y358 T370 A371 Y415 K422	V346-M413 HydrophobicContact CG1-CE 4.35Å; V346-M413 HydrophobicContact CG1-SD 3.94Å; Q356-M413 HydrophobicContact CB-CE 4.45Å; V357-M413 VanDerWaalsContact O-CE 3.23Å; V357-M413 WeakPolarHBondContact O-CE 3.44Å; Y358-M413 HydrophobicContact CD2-CE 4.32Å; Y358-M413 HydrophobicContact CD2-SD 4.5Å; T370-M413 HydrophobicContact CG2-CE 3.73Å; A371-M413 HydrophobicContact CB-CB 3.99Å; A371-M413 HydrophobicContact CB-CE 4.13Å; M413-Y415 VanDerWaalsContact C-N 3.26Å; M413-Y415 WeakPolarHBondContact CG-O 3.33Å; M413-Y415 PolarHBondContact O-N 3.32Å; M413-Y415 HydrophobicContact SD-CD2 4.34Å; M413-K422 WeakPolarHBondContact O-CD 3.44Å; M413-K422 PolarHBondContact O-NZ 3.07Å
414	L	81.8	Confident	78.4	Confident	34 Å²	34	65 Å²	65	18%	0.178	35%	0.352	C	S	.	.			trans	-77.8	-7.9	-174.2	-58.6	177.4	0	0	0	113.6	F354 P412 K422	F354-L414 HydrophobicContact CD2-CD1 3.84Å; P412-L414 HydrophobicContact CG-CD2 4.15Å; P412-L414 PolarHBondContact O-N 3.14Å; P412-L414 VanDerWaalsContact O-N 3.07Å; L414-K422 WeakPolarHBondContact O-CB 3.42Å; L414-K422 PolarHBondContact O-N 3.14Å
415	Y	82.3	Confident	75.6	Confident	9 Å²	9	65.6 Å²	65.6	4%	0.035	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-114.3	150.1	-176.5	-56.7	-86.8	0	0	0	111.8	V346 G347 F354 M413 R420 P421 K422	V346-Y415 HydrophobicContact CB-CD2 4.48Å; V346-Y415 HydrophobicContact CG1-CD2 3.67Å; V346-Y415 HydrophobicContact CG1-CE2 4.45Å; V346-Y415 HydrophobicContact CG1-CG 4.04Å; V346-Y415 HydrophobicContact CG2-CD1 4.24Å; V346-Y415 HydrophobicContact CG2-CD2 4.21Å; V346-Y415 HydrophobicContact CG2-CG 3.78Å; G347-Y415 VanDerWaalsContact CA-CE1 3.5Å; G347-Y415 VanDerWaalsContact CA-OH 3.29Å; G347-Y415 WeakPolarHBondContact CA-OH 3.36Å; F354-Y415 PolarHBondContact N-OH 3.21Å; F354-Y415 WeakPolarHBondContact O-CE2 3.15Å; F354-Y415 PolarHBondContact O-OH 3.11Å; M413-Y415 VanDerWaalsContact C-N 3.26Å; M413-Y415 WeakPolarHBondContact CG-O 3.33Å; M413-Y415 PolarHBondContact O-N 3.32Å; M413-Y415 HydrophobicContact SD-CD2 4.34Å; Y415-R420 WeakPolarHBondContact CA-O 3.17Å; Y415-P421 HydrophobicContact CD1-CB 4.42Å; Y415-P421 HydrophobicContact CD1-CG 4.27Å; Y415-P421 HydrophobicContact CE1-CB 4.37Å; Y415-P421 HydrophobicContact CE1-CG 4.03Å; Y415-K422 WeakPolarHBondContact O-CE 3.34Å; Y415-K422 PolarHBondContact O-NZ 3.32Å
416	N	78.5	Confident	72.5	Confident	57 Å²	57	71.8 Å²	71.8	31%	0.305	40%	0.403	S	S	.	.			trans	-79	163.7	170.4	-78.4	-38.3	0	0	0	111	D418 G419 R420 K422	N416-D418 PolarHBondContact O-N 3.07Å; N416-D418 VanDerWaalsContact O-N 3.13Å; N416-G419 PolarHBondContact O-N 2.8Å; N416-R420 PolarHBondContact N-O 3.45Å; N416-K422 VanDerWaalsContact OD1-CE 3.22Å; N416-K422 WeakPolarHBondContact OD1-CE 3.13Å; N416-K422 WeakPolarHBondContact OD1-CG 3.49Å
417	P	70.1	Confident	69.4	Low	95 Å²	95	81 Å²	81	62%	0.617	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-29.5	175.9	-26.8	36.5	0	0	0	113.8	Y358 G419	Y358-P417 WeakPolarHBondContact OH-CA 3.26Å; P417-G419 PolarHBondContact O-N 3.08Å
418	D	68.1	Low	66.2	Low	133 Å²	133	89.1 Å²	89.1	71%	0.711	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	12.3	175.4	-42.3	-71.5	0	0	0	114	N416 R420	N416-D418 PolarHBondContact O-N 3.07Å; N416-D418 VanDerWaalsContact O-N 3.13Å; D418-R420 PolarHBondContact O-N 2.96Å
419	G	62.7	Low	63.2	Low	35 Å²	35	94.8 Å²	94.8	36%	0.361	51%	0.511	S	S	.	.	S	Bend	trans	72.3	-6.6	180	0	0	0	0	0	115.8	N416 P417	N416-G419 PolarHBondContact O-N 2.8Å; P417-G419 PolarHBondContact O-N 3.08Å
420	R	68.3	Low	60.1	Low	186 Å²	186	100.6 Å²	100.6	70%	0.702	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-73.7	143.6	178.7	-62.5	-177.5	180	-169.5	-0.4	111.2	Y415 N416 D418 K422	Y415-R420 WeakPolarHBondContact CA-O 3.17Å; N416-R420 PolarHBondContact N-O 3.45Å; D418-R420 PolarHBondContact O-N 2.96Å; R420-K422 PolarHBondContact O-N 3.26Å
421	P	69.8	Low	57.5	Low	57 Å²	57	102.7 Å²	102.7	37%	0.37	56%	0.557	S	S	.	*	B	Isolated β-bridge	trans	-53.4	137.1	167.9	-23.2	32.1	0	0	0	110.9	Y415 Q423	Y415-P421 HydrophobicContact CD1-CB 4.42Å; Y415-P421 HydrophobicContact CD1-CG 4.27Å; Y415-P421 HydrophobicContact CE1-CB 4.37Å; Y415-P421 HydrophobicContact CE1-CG 4.03Å; P421-Q423 PolarHBondContact O-N 3.18Å
422	K	71	Confident	54.9	Low	92 Å²	92	110.2 Å²	110.2	40%	0.4	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-67.1	124.8	165	-76.4	167.7	-177.5	159.6	0	107.4	M413 L414 Y415 N416 R420	M413-K422 WeakPolarHBondContact O-CD 3.44Å; M413-K422 PolarHBondContact O-NZ 3.07Å; L414-K422 WeakPolarHBondContact O-CB 3.42Å; L414-K422 PolarHBondContact O-N 3.14Å; Y415-K422 WeakPolarHBondContact O-CE 3.34Å; Y415-K422 PolarHBondContact O-NZ 3.32Å; N416-K422 VanDerWaalsContact OD1-CE 3.22Å; N416-K422 WeakPolarHBondContact OD1-CE 3.13Å; N416-K422 WeakPolarHBondContact OD1-CG 3.49Å; R420-K422 PolarHBondContact O-N 3.26Å
423	Q	49.2	Very low	52.2	Low	166 Å²	166	112 Å²	112	78%	0.776	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-60.5	140.1	166.2	-74.3	-173.6	-29.1	0	0	108.5	P421 S425	P421-Q423 PolarHBondContact O-N 3.18Å; Q423-S425 PolarHBondContact O-N 3.2Å
424	P	41.1	Very low	49.4	Very low	85 Å²	85	118 Å²	118	55%	0.552	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-55.1	132.7	162.6	25.5	-33.1	0	0	0	108	W317	W317-P424 HydrophobicContact CH2-CB 3.85Å; W317-P424 HydrophobicContact CZ3-CB 4.12Å
425	S	32.4	Very low	47.2	Very low	93 Å²	93	125.4 Å²	125.4	65%	0.65	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-58.4	138.9	162	46.4	0	0	0	0	107.9	Q423 R427	Q423-S425 PolarHBondContact O-N 3.2Å; S425-R427 PolarHBondContact O-N 3.38Å
426	P	30.7	Very low	44.5	Very low	132 Å²	132	131.9 Å²	131.9	86%	0.857	70%	0.699	S	S	*	*			trans	-62.1	102.6	175	-19.9	31.9	0	0	0	108.7	L428	P426-L428 PolarHBondContact O-N 3.08Å; P426-L428 VanDerWaalsContact O-N 3.13Å
427	R	29.7	Very low	42.2	Very low	228 Å²	228	133.1 Å²	133.1	86%	0.86	72%	0.717	S	S	*	*			trans	-70.9	106.7	165.7	-76.4	-172.3	172.3	-166	-6	106.7	S425 L429	S425-R427 PolarHBondContact O-N 3.38Å; R427-L429 PolarHBondContact O-N 3.36Å
428	L	28.1	Very low	40.2	Very low	171 Å²	171	134.7 Å²	134.7	90%	0.895	73%	0.727	S	S	*	*			trans	-49.2	127.4	149.8	-81.5	157.5	0	0	0	107.1	P426 D430	P426-L428 PolarHBondContact O-N 3.08Å; P426-L428 VanDerWaalsContact O-N 3.13Å; L428-D430 PolarHBondContact O-N 3.39Å
429	L	30.2	Very low	38.3	Very low	161 Å²	161	135.1 Å²	135.1	84%	0.843	74%	0.735	S	S	*	*			trans	-73.4	112.2	165.5	-73.1	165.8	0	0	0	106.6	R427	R427-L429 PolarHBondContact O-N 3.36Å
430	D	26.7	Very low	37.1	Very low	163 Å²	163	139.3 Å²	139.3	87%	0.872	75%	0.754	S	S	*	*			trans	-171.2	162.7	140.3	-98.2	-25.3	0	0	0	110.8	L428	L428-D430 PolarHBondContact O-N 3.39Å
431	A	28.7	Very low	35.3	Very low	100 Å²	100	136.9 Å²	136.9	83%	0.826	76%	0.76	S	S	*	*			trans	68.3	135.2	-176.2	0	0	0	0	0	116.6
432	E	30	Very low	33.6	Very low	191 Å²	191	142.3 Å²	142.3	89%	0.893	78%	0.78	S	S	*	*			trans	-91.7	157.3	-178	-59.5	-179.5	97	0	0	112.8
433	D	27.4	Very low	31.8	Very low	129 Å²	129	143.9 Å²	143.9	69%	0.69	80%	0.8	S	S	*	*				106.8	150.4	126.3	-132.2	-5.1	0	0	0	122.6
434	H	29.8	Very low	30.7	Very low	160 Å²	160	144.6 Å²	144.6	74%	0.741	80%	0.803	S	S	*	*			trans	71.8	136.5	160.6	-78.4	17.9	0	0	0	120.9
435	H	36.8	Very low	30.6	Very low	190 Å²	190	146.2 Å²	146.2	88%	0.88	81%	0.814	S	S	*	*			trans	-81.5	139.4	-173	-67.5	-129.1	0	0	0	112.1
436	V	25.5	Very low	30.4	Very low	146 Å²	146	150 Å²	150	89%	0.885	83%	0.826	S	S	*	*			trans	-133.3	126.2	152.7	-175.3	0	0	0	0	108.7
437	A	29.3	Very low	30.2	Very low	82 Å²	82	151.5 Å²	151.5	68%	0.678	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-94.5	140.5	-179.7	0	0	0	0	0	111.5	T439	A437-T439 PolarHBondContact O-N 2.86Å
438	P	28.2	Very low	30	Very low	128 Å²	128	149.6 Å²	149.6	83%	0.831	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-74.7	116.1	172.5	29.6	-32.1	0	0	0	110.6
439	T	29.1	Very low	29.8	Very low	142 Å²	142	148.9 Å²	148.9	87%	0.871	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-71.6	163	-179.5	23.1	0	0	0	0	113.8	A437	A437-T439 PolarHBondContact O-N 2.86Å
440	T	37.9	Very low	30.3	Very low	123 Å²	123	145.9 Å²	145.9	76%	0.755	81%	0.809	S	S	*	*			trans	-107.8	121	-175.7	175.2	0	0	0	0	112.5
441	T	30.3	Very low	30.2	Very low	136 Å²	136	148.7 Å²	148.7	83%	0.834	81%	0.807	S	S	*	*			trans	-156.3	154	163.1	-16.1	0	0	0	0	112.2
442	Q	32.8	Very low	30	Very low	170 Å²	170	151.4 Å²	151.4	79%	0.794	81%	0.807	S	S	*	*			trans	-96	162.8	165.6	-66.3	-177.6	-9.7	0	0	111.2
443	P	33.4	Very low	29.6	Very low	125 Å²	125	147.6 Å²	147.6	81%	0.812	80%	0.801	S	S	*	*			trans	-113.5	144	155.8	36	-26.7	0	0	0	113.4
444	Q	26.7	Very low	29.4	Very low	181 Å²	181	147.9 Å²	147.9	85%	0.846	81%	0.808	S	S	*	*			trans	-100.5	165.5	165.4	-88.3	-173.8	-11.9	0	0	111.1
445	P	38.6	Very low	29.9	Very low	120 Å²	120	146.2 Å²	146.2	78%	0.779	81%	0.811	S	S	*	*			trans	-98	156.3	-169.1	37.5	-35.3	0	0	0	115.2
446	L	27.8	Very low	29.3	Very low	173 Å²	173	142.3 Å²	142.3	91%	0.906	81%	0.805	S	S	*	*			trans	-156	165.6	161.9	-115.2	152.2	0	0	0	111.8
447	H	28.1	Very low	30	Very low	162 Å²	162	141.1 Å²	141.1	75%	0.75	80%	0.8	S	S	*	*			trans	-87.7	151.3	-162.3	-66.7	-106	0	0	0	115.4
448	Q	24.9	Very low	30	Very low	189 Å²	189	146.2 Å²	146.2	88%	0.883	81%	0.81	S	S	*	*				175.9	175	104	-89.2	-174.5	21.4	0	0	113.1
449	L	24.2	Very low	30	Very low	155 Å²	155	144.8 Å²	144.8	81%	0.812	80%	0.803	S	S	*	*			trans	-122.8	-177.1	-173.6	-81.6	95.8	0	0	0	110.1
450	P	40.2	Very low	29.9	Very low	99 Å²	99	146 Å²	146	64%	0.643	80%	0.799	S	S	*	*			cis	-136.9	173	-40	30.2	-10.2	0	0	0	115.1
451	R	23.9	Very low	29.3	Very low	222 Å²	222	146.8 Å²	146.8	84%	0.838	80%	0.798	S	S	*	*			trans	137	118	131	-73.5	-172.6	-178.3	-162.4	0.5	118.3
452	L	24.4	Very low	29	Very low	157 Å²	157	148.8 Å²	148.8	82%	0.822	80%	0.795	S	S	*	*			trans	43.4	133.9	131.3	-79.9	117.9	0	0	0	124.9
453	S	23	Very low	28.7	Very low	110 Å²	110	148 Å²	148	77%	0.769	80%	0.796	S	S	*	*			trans	107.2	127	138.6	-64.6	0	0	0	0	121
454	T	23.5	Very low	28.3	Very low	136 Å²	136	145.7 Å²	145.7	83%	0.834	80%	0.795	S	S	*	*			trans	-88.9	177.5	170.3	42.3	0	0	0	0	111.1
455	P	38.6	Very low	28.3	Very low	125 Å²	125	147.5 Å²	147.5	81%	0.812	80%	0.796	S	S	*	*			cis	-139.3	-162.7	20.3	42.9	-21.3	0	0	0	117.1
456	S	25.8	Very low	27.7	Very low	108 Å²	108	149.4 Å²	149.4	76%	0.755	79%	0.794	S	S	*	*			trans	-95.1	175.6	-174.7	58.9	0	0	0	0	114.4
457	P	40.2	Very low	27.6	Very low	120 Å²	120	146.4 Å²	146.4	78%	0.779	79%	0.788	S	S	*	*				-144.8	-164.3	88.1	39.6	-21.2	0	0	0	115.7
458	Q	27.5	Very low	27.6	Very low	189 Å²	189	145.5 Å²	145.5	88%	0.883	79%	0.788	S	S	*	*			trans	-83.1	175.8	-173.1	-56.6	138.2	-61.2	0	0	112.2
459	S	28.5	Very low	27.8	Very low	98 Å²	98	147.4 Å²	147.4	69%	0.685	79%	0.788	S	S	*	*			cis	-166.3	157.9	26.9	63.7	0	0	0	0	116.9
460	Q	28.1	Very low	27.9	Very low	168 Å²	168	143.4 Å²	143.4	79%	0.785	78%	0.783	S	S	*	*			trans	77.3	115	147.7	-75.9	-177.3	15.5	0	0	123.2
461	L	24.8	Very low	27.5	Very low	140 Å²	140	149.7 Å²	149.7	73%	0.733	80%	0.796	S	S	*	*			trans	89.7	120.3	131.7	-66.3	167.2	0	0	0	123.1
462	F	24.1	Very low	27.8	Very low	177 Å²	177	145 Å²	145	78%	0.776	79%	0.792	S	S	*	*			trans	79	130.3	152	-90.7	-89.3	0	0	0	123.8
463	N	25.9	Very low	28.1	Very low	153 Å²	153	145 Å²	145	82%	0.818	79%	0.788	S	S	*	*			trans	-4.3	130.7	167	-62.8	-0.9	0	0	0	120.9
464	G	25.2	Very low	28.5	Very low	77 Å²	77	147.9 Å²	147.9	79%	0.794	79%	0.788	S	S	*	*			trans	-174.2	138.5	157.9	0	0	0	0	0	112.7
465	Y	26.7	Very low	28.9	Very low	220 Å²	220	144.8 Å²	144.8	86%	0.863	78%	0.783	S	S	*	*			trans	-88.6	136.1	174.6	-108.4	-127.8	0	0	0	110.8
466	H	26.3	Very low	28.4	Very low	159 Å²	159	146 Å²	146	74%	0.736	79%	0.789	S	S	*	*			trans	63.4	127.9	147.1	-84.2	-99.9	0	0	0	123.5
467	S	25.5	Very low	28.7	Very low	111 Å²	111	147 Å²	147	78%	0.776	79%	0.79	S	S	*	*			trans	94	123.1	135.4	-60.9	0	0	0	0	123.2
468	D	27.5	Very low	28.5	Very low	142 Å²	142	148.8 Å²	148.8	76%	0.759	79%	0.792	S	S	*	*			trans	73.1	102.5	140.6	-126.9	42.9	0	0	0	124.4
469	R	29.2	Very low	28.9	Very low	230 Å²	230	146.8 Å²	146.8	87%	0.868	79%	0.788	S	S	*	*				64.3	114.9	114.9	-166.3	-178.1	-160.7	-142.5	4.4	122.6
470	G	27.5	Very low	29	Very low	70 Å²	70	145.4 Å²	145.4	72%	0.722	78%	0.782	S	S	*	*			trans	149.8	87.6	140.8	0	0	0	0	0	123.4
471	Y	31	Very low	29.2	Very low	232 Å²	232	145.6 Å²	145.6	91%	0.91	79%	0.788	S	S	*	*				55.9	143.3	123.7	-105.7	-75.3	0	0	0	127.1
472	V	31	Very low	29.4	Very low	123 Å²	123	142.1 Å²	142.1	75%	0.745	79%	0.787	S	S	*	*			trans	76.9	140.4	159.6	-172.8	0	0	0	0	119.5
473	E	30.7	Very low	29.8	Very low	157 Å²	157	142 Å²	142	73%	0.734	79%	0.794	S	S	*	*			cis	169.6	176.9	-24.7	-157.4	-169.9	167.7	0	0	108.8
474	H	31.8	Very low	30	Very low	170 Å²	170	138.5 Å²	138.5	79%	0.787	79%	0.787	S	S	*	*			trans	80.4	141.6	168.1	-61.4	32.2	0	0	0	119.4
475	G	30.6	Very low	30.2	Very low	71 Å²	71	141.1 Å²	141.1	73%	0.732	79%	0.788	S	S	*	*			cis	169.6	168.9	-13.1	0	0	0	0	0	116.7
476	V	29.2	Very low	30.2	Very low	152 Å²	152	134.9 Å²	134.9	92%	0.921	78%	0.776	S	S	*	*			trans	94.8	153.3	157.3	-169.9	0	0	0	0	121.6
477	T	32.2	Very low	30.3	Very low	128 Å²	128	138.4 Å²	138.4	79%	0.785	79%	0.785	S	S	*	*			trans	-116.6	-169.9	-154.9	57.5	0	0	0	0	115.7
478	L	35.2	Very low	30.6	Very low	158 Å²	158	137.4 Å²	137.4	83%	0.827	78%	0.783	S	S	*	*			cis	-141.3	-140.4	19.7	-126.3	175	0	0	0	112.2
479	D	35.5	Very low	30.6	Very low	146 Å²	146	135.7 Å²	135.7	78%	0.781	78%	0.782	S	S	*	*			cis	-141.5	-143.6	9.6	81.3	-66.6	0	0	0	115.7
480	A	31.7	Very low	30.5	Very low	69 Å²	69	135.5 Å²	135.5	57%	0.57	78%	0.781	S	S	*	*			trans	-164.1	165.1	-163.8	0	0	0	0	0	123.1
481	N	32.3	Very low	30.4	Very low	172 Å²	172	139.8 Å²	139.8	92%	0.92	79%	0.787	S	S	*	*			trans	97	158.5	163.1	-55.8	-79.1	0	0	0	119.2
482	G	29.4	Very low	30.9	Very low	68 Å²	68	134.1 Å²	134.1	70%	0.701	78%	0.778	S	S	*	*			cis	166.2	147.3	-13.2	0	0	0	0	0	116.7
483	N	32.4	Very low	32.2	Very low	174 Å²	174	133.8 Å²	133.8	93%	0.93	78%	0.779	S	S	*	*			trans	61.4	163.9	168.9	-68.9	-12.8	0	0	0	120.7
484	A	28.4	Very low	33	Very low	80 Å²	80	131.5 Å²	131.5	66%	0.661	78%	0.778	S	S	*	*			cis	-166.7	148.6	-36	0	0	0	0	0	114.4
485	T	29.6	Very low	32.8	Very low	132 Å²	132	133.6 Å²	133.6	81%	0.81	78%	0.78	S	S	*	*			trans	50.3	114.4	151.3	45.7	0	0	0	0	126.7
486	S	28	Very low	32.7	Very low	89 Å²	89	140 Å²	140	62%	0.622	78%	0.782	S	S	*	*				49.2	135.1	129.2	65.6	0	0	0	0	125.8
487	Y	27.6	Very low	32.7	Very low	233 Å²	233	142.7 Å²	142.7	91%	0.914	78%	0.776	S	S	*	*				-177.4	-176.7	110.2	-102.2	-70.4	0	0	0	112.1
488	A	31.5	Very low	32.6	Very low	89 Å²	89	141.1 Å²	141.1	74%	0.736	77%	0.77	S	S	*	*			trans	-149	155.3	-166.7	0	0	0	0	0	116.1
489	S	28.3	Very low	32.3	Very low	106 Å²	106	138.5 Å²	138.5	74%	0.741	77%	0.765	S	S	*	*			trans	176.7	141.5	147.5	-89.9	0	0	0	0	118.1
490	R	27.6	Very low	32.2	Very low	226 Å²	226	137.8 Å²	137.8	85%	0.853	77%	0.765	S	S	*	*			trans	56.9	121.2	141.8	-59.5	176.8	-169	-129.1	1.9	123.7
491	L	24.8	Very low	32.2	Very low	161 Å²	161	139 Å²	139	84%	0.843	77%	0.77	S	S	*	*				28.1	158.6	116.5	-67.3	161.8	0	0	0	121.6
492	P	41.4	Very low	32	Very low	113 Å²	113	138.3 Å²	138.3	73%	0.734	77%	0.766	S	S	*	*			cis	-135	-177.2	-16.1	36.7	-15.6	0	0	0	115.1
493	P	57.8	Low	31.9	Very low	116 Å²	116	139.8 Å²	139.8	75%	0.753	77%	0.771	S	S	*	*			trans	-99.4	169.6	179.3	40	-36.5	0	0	0	114.7
494	P	48	Very low	31.9	Very low	109 Å²	109	135.9 Å²	135.9	71%	0.708	76%	0.764	S	S	*	*				-160.1	175.8	104	36	-13.6	0	0	0	119.9
495	Y	28.2	Very low	32.9	Very low	213 Å²	213	137.1 Å²	137.1	84%	0.835	77%	0.765	S	S	*	*			trans	97.9	129	146.3	-79.6	-54.9	0	0	0	126.9
496	R	28.6	Very low	32.9	Very low	206 Å²	206	140.6 Å²	140.6	78%	0.777	77%	0.769	S	S	*	*			trans	102.9	120.1	131.4	-89	-174.5	-177	-158.8	3.8	124.4
497	R	27.4	Very low	33.1	Very low	209 Å²	209	141.6 Å²	141.6	79%	0.789	78%	0.776	S	S	*	*			trans	66.1	113.4	136.7	-79.7	-168.3	176	-169.4	-1.6	124
498	S	30	Very low	34.3	Very low	94 Å²	94	136.3 Å²	136.3	66%	0.657	77%	0.77	S	S	*	*				24.5	142.7	116.6	64.7	0	0	0	0	120.3
499	S	30.1	Very low	34.2	Very low	104 Å²	104	138.7 Å²	138.7	73%	0.727	78%	0.776	S	S	*	*				177.2	135.8	62	47.5	0	0	0	0	116.7
500	V	32.6	Very low	34.4	Very low	130 Å²	130	144.4 Å²	144.4	79%	0.788	78%	0.781	S	S	*	*			trans	46.3	147	134.2	-152.2	0	0	0	0	124
501	S	31.4	Very low	35.8	Very low	95 Å²	95	138.4 Å²	138.4	66%	0.664	77%	0.771	S	S	*	*			trans	75.1	151.8	148.5	37.4	0	0	0	0	121
502	N	29	Very low	37.3	Very low	157 Å²	157	135.8 Å²	135.8	84%	0.84	76%	0.764	S	S	*	*			cis	-164.7	161	-3.7	-115.3	-7	0	0	0	115
503	A	28	Very low	36.9	Very low	99 Å²	99	141.1 Å²	141.1	82%	0.818	77%	0.769	S	S	*	*			trans	67.5	159.8	142	0	0	0	0	0	123.7
504	A	31.3	Very low	35.7	Very low	93 Å²	93	140.4 Å²	140.4	77%	0.769	77%	0.767	S	S	*	*			trans	-115.5	-159.1	177.2	0	0	0	0	0	109.9
505	P	49.3	Very low	34.9	Very low	105 Å²	105	144.6 Å²	144.6	68%	0.682	78%	0.777	S	S	*	*			cis	-155.5	173.6	39.5	45.3	-22.7	0	0	0	121.1
506	F	29.4	Very low	35	Very low	205 Å²	205	145 Å²	145	90%	0.899	78%	0.777	S	S	*	*			trans	57.3	155.6	149.3	-65.2	-51.8	0	0	0	125.6
507	S	32.8	Very low	35	Very low	111 Å²	111	140 Å²	140	78%	0.776	77%	0.773	S	S	*	*			trans	-112.3	-174.4	-176.4	-37.1	0	0	0	0	111.3
508	P	52.9	Low	35.1	Very low	121 Å²	121	136.7 Å²	136.7	79%	0.786	78%	0.776	S	S	*	*				-160.5	-151	69.6	41.7	-16.4	0	0	0	116.9
509	V	30.2	Very low	35.1	Very low	140 Å²	140	136.8 Å²	136.8	85%	0.848	78%	0.782	S	S	*	*			trans	104.3	153.3	166.4	-169.9	0	0	0	0	117.4
510	R	30.7	Very low	34.9	Very low	226 Å²	226	142.9 Å²	142.9	85%	0.853	79%	0.789	S	S	*	*			trans	-158.2	-166.2	-155.4	-154.2	-163.3	-177.8	-168.2	3.2	113.1
511	P	57.2	Low	34.6	Very low	100 Å²	100	144 Å²	144	65%	0.649	79%	0.79	S	S	*	*				-86.6	-153.1	-117.3	42.1	-22.2	0	0	0	114.4
512	P	57.8	Low	34.4	Very low	106 Å²	106	148.2 Å²	148.2	69%	0.688	80%	0.799	S	S	*	*			cis	-147.9	-161.8	4.6	43.6	-20	0	0	0	119
513	R	32.5	Very low	34.2	Very low	225 Å²	225	145.5 Å²	145.5	85%	0.849	79%	0.793	S	S	*	*			trans	93.2	89.9	149	-81.2	176.2	-179	169.7	0.8	124
514	S	31.3	Very low	34.2	Very low	100 Å²	100	148.6 Å²	148.6	70%	0.699	80%	0.795	S	S	*	*				48.4	131.7	116.7	63.3	0	0	0	0	124.8
515	H	32.2	Very low	33.8	Very low	198 Å²	198	149.9 Å²	149.9	92%	0.917	79%	0.788	S	S	*	*			trans	-149.2	-167.3	136.5	-111.2	-84.7	0	0	0	111.6
516	R	30.4	Very low	33	Very low	222 Å²	222	150.4 Å²	150.4	84%	0.838	79%	0.792	S	S	*	*			trans	-137.4	147.2	-140.1	-160.3	-164.9	-165.7	-173.9	4.9	117.5
517	S	28.5	Very low	32.9	Very low	99 Å²	99	146.7 Å²	146.7	69%	0.692	79%	0.786	S	S	*	*			trans	67.1	151.5	152.3	37.3	0	0	0	0	121.1
518	V	30.5	Very low	32.8	Very low	141 Å²	141	149.9 Å²	149.9	86%	0.855	79%	0.794	S	S	*	*			cis	-163.8	158.2	-17.2	127	0	0	0	0	110.2
519	A	28.8	Very low	31.6	Very low	96 Å²	96	149.1 Å²	149.1	79%	0.793	80%	0.797	S	S	*	*			trans	93.3	153.2	162.7	0	0	0	0	0	119.6
520	R	27.1	Very low	31.4	Very low	231 Å²	231	148.3 Å²	148.3	87%	0.872	80%	0.798	S	S	*	*			cis	-168.2	147.4	-42.3	-158.9	-171.6	179.3	173.9	-0.1	108.7
521	L	26.1	Very low	31.2	Very low	153 Å²	153	146 Å²	146	80%	0.801	80%	0.797	S	S	*	*			trans	76.7	155.9	169.9	-72.1	166.2	0	0	0	118.5
522	Q	27.2	Very low	29.7	Very low	184 Å²	184	146.7 Å²	146.7	86%	0.86	81%	0.805	S	S	*	*			trans	64.6	155.2	179.3	-61.9	176.3	-3.3	0	0	116.8
523	S	24.8	Very low	28.2	Very low	100 Å²	100	149.1 Å²	149.1	70%	0.699	81%	0.812	S	S	*	*				174.9	118	-64.5	49.4	0	0	0	0	108.8
524	L	26.4	Very low	27.9	Very low	165 Å²	165	144.4 Å²	144.4	86%	0.864	81%	0.813	S	S	*	*			trans	48.4	110.4	156	-72.4	162.8	0	0	0	120.7
525	D	24.6	Very low	27.7	Very low	119 Å²	119	147.5 Å²	147.5	64%	0.636	82%	0.817	S	S	*	*				73.4	118.9	112.7	-158.5	41.7	0	0	0	121.1
526	P	31.3	Very low	27.5	Very low	116 Å²	116	142.5 Å²	142.5	75%	0.753	80%	0.8	S	S	*	*			trans	-106.6	107.4	166.1	35.3	-23.9	0	0	0	112.3
527	T	28.4	Very low	27.2	Very low	127 Å²	127	134.9 Å²	134.9	78%	0.779	78%	0.778	S	S	*	*			trans	-94.2	119.4	169.1	36.8	0	0	0	0	111.5
528	L	29.5	Very low	27.2	Very low	178 Å²	178	135.5 Å²	135.5	93%	0.932	78%	0.782	S	S	*	*			trans	-110.4	127.8	170.6	-77.6	171.6	0	0	0	109.9
529	A	28.7	Very low	27.3	Very low	105 Å²	105	132.3 Å²	132.3	87%	0.868	77%	0.771	S	S	*	*			trans	-147.5	96.8	169.8	0	0	0	0	0	110.4
530	S	25.7	Very low	27.2	Very low	124 Å²	124	134.1 Å²	134.1	87%	0.867	77%	0.772	S	S	*	*			trans	-87.9	163.5	161.7	-166.1	0	0	0	0	110.1
531	Q	26	Very low	27.2	Very low	176 Å²	176	126 Å²	126	82%	0.822	76%	0.759	S	S	*	*			trans	-74.8	151.6	-175.7	-58.4	172.7	-7.3	0	0	112.5
532	S	25.3	Very low	27.2	Very low	116 Å²	116	124.6 Å²	124.6	81%	0.811	76%	0.763	S	S	*	*				176.1	153	108.1	-75.4	0	0	0	0	112.8
533	D	26.5	Very low	27.2	Very low	156 Å²	156	124.8 Å²	124.8	83%	0.834	76%	0.763	S	S	*	*			trans	-73	155.4	175.3	-63.9	-77.7	0	0	0	113.7
534	S	26.2	Very low	27.2	Very low	127 Å²	127	132.2 Å²	132.2	89%	0.888	78%	0.776	S	S	*	*			trans	-164.2	144.2	130.2	-84.7	0	0	0	0	112.3
535	E	27.4	Very low	27.1	Very low	164 Å²	164	128.5 Å²	128.5	77%	0.766	77%	0.769	S	S	*	*			trans	-81	-176.2	-171.9	-54.9	-176	116.5	0	0	114.6
536	V	27.4	Very low	27.1	Very low	93 Å²	93	128.2 Å²	128.2	56%	0.564	78%	0.776	S	S	*	*			trans	100.5	98.5	136.4	143.5	0	0	0	0	119.5
537	V	26	Very low	26.7	Very low	62 Å²	62	131 Å²	131	38%	0.376	78%	0.782	S	S	.	*				96.4	118.5	127	171.5	0	0	0	0	121.9	K3	K3-V537 HydrophobicContact CB-CG1 3.64Å; K3-V537 HydrophobicContact CB-CG2 4.47Å; K3-V537 HydrophobicContact CD-CG1 3.96Å; K3-V537 HydrophobicContact CG-CG1 3.93Å; K3-V537 WeakPolarHBondContact O-CG2 3.36Å
538	S	26.8	Very low	26.6	Very low	112 Å²	112	133.3 Å²	133.3	78%	0.783	79%	0.788	S	S	*	*				-159	141.3	113.3	-92.5	0	0	0	0	114.2
539	A	34.3	Very low	26.4	Very low	75 Å²	75	134.7 Å²	134.7	62%	0.62	78%	0.78	S	S	*	*			trans	-142.5	141.8	174.5	0	0	0	0	0	111.6	K3	K3-A539 PolarHBondContact NZ-O 3.42Å
540	V	26.8	Very low	26.1	Very low	133 Å²	133	137.5 Å²	137.5	81%	0.806	78%	0.781	S	S	*	*			trans	-156.8	140.7	162.9	-179	0	0	0	0	105.6
541	G	26.2	Very low	26.2	Very low	60 Å²	60	138.8 Å²	138.8	62%	0.619	77%	0.773	S	S	*	*			cis	127.8	88	-7.6	0	0	0	0	0	113.8
542	S	25.7	Very low	26.1	Very low	125 Å²	125	137.9 Å²	137.9	87%	0.874	77%	0.773	S	S	*	*			trans	-160.9	153.5	155.6	-83.9	0	0	0	0	111.5
543	H	27.5	Very low	26.2	Very low	188 Å²	188	139.3 Å²	139.3	87%	0.87	77%	0.772	S	S	*	*			trans	-121	156.9	-170.8	-58.7	-108.7	0	0	0	111.4
544	R	24.7	Very low	26.1	Very low	255 Å²	255	139.3 Å²	139.3	96%	0.962	77%	0.772	S	S	*	*			trans	-147.5	141.5	135.4	-134.2	177.8	-174	-163.7	1	110.8
545	A	24.3	Very low	26.1	Very low	88 Å²	88	138.9 Å²	138.9	73%	0.727	77%	0.769	S	S	*	*			trans	-133.3	153.8	170.1	0	0	0	0	0	107.8
546	S	24.6	Very low	26	Very low	112 Å²	112	139 Å²	139	78%	0.783	77%	0.774	S	S	*	*			trans	176.8	141.6	142.7	-84.9	0	0	0	0	112.8
547	M	23.8	Very low	25.8	Very low	176 Å²	176	141.4 Å²	141.4	87%	0.867	79%	0.789	S	S	*	*			trans	45.8	108.3	153	-57.9	-163	-60.1	0	0	120.2
548	I	25.6	Very low	25.9	Very low	175 Å²	175	144.8 Å²	144.8	90%	0.897	81%	0.81	S	S	*	*			trans	-121.4	144.4	132.4	-66.7	-175.9	0	0	0	108
549	R	24.2	Very low	26.1	Very low	207 Å²	207	145 Å²	145	78%	0.781	81%	0.809	S	S	*	*			trans	-110.7	118.2	-169.3	179.8	179.9	-174.8	168.2	2.2	109.5	H551	R549-H551 PolarHBondContact O-N 3.43Å; R549-H551 PolarHBondContact O-ND1 3.39Å
550	N	23.4	Very low	25.6	Very low	163 Å²	163	150.8 Å²	150.8	87%	0.872	82%	0.823	S	S	*	*			trans	-49	124.7	178.2	-75.2	0.9	0	0	0	111.2
551	H	27.6	Very low	25.6	Very low	151 Å²	151	153.6 Å²	153.6	70%	0.699	83%	0.827	S	S	*	*			trans	-120.3	108.9	159.3	-77.9	77.6	0	0	0	107.5	R549	R549-H551 PolarHBondContact O-N 3.43Å; R549-H551 PolarHBondContact O-ND1 3.39Å
552	N	24.9	Very low	25.6	Very low	157 Å²	157	159.2 Å²	159.2	84%	0.84	84%	0.837	S	S	*	*			trans	-84.7	121.7	178.1	-168.6	23	0	0	0	108
553	N	26	Very low	25.8	Very low	147 Å²	147	161.6 Å²	161.6	79%	0.786	84%	0.839	S	S	*	*			trans	-150.6	100.7	179.1	-105.8	-19.1	0	0	0	110.4
554	N	25.8	Very low	25.8	Very low	155 Å²	155	163.5 Å²	163.5	83%	0.829	84%	0.839	S	S	*	*			trans	-158.1	90.2	157.1	-118.8	-11.6	0	0	0	110
555	S	24.7	Very low	26	Very low	119 Å²	119	163 Å²	163	83%	0.832	84%	0.839	S	S	*	*			trans	-140.4	99	166.8	-70.4	0	0	0	0	107.7
556	L	26.6	Very low	26.1	Very low	165 Å²	165	162 Å²	162	86%	0.864	84%	0.836	S	S	*	*			trans	-132.5	117.1	168.9	-76.5	176.4	0	0	0	108.6
557	T	23.1	Very low	26.1	Very low	145 Å²	145	163.3 Å²	163.3	89%	0.89	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-78.6	155.2	172.1	30.1	0	0	0	0	111.3
558	T	27.6	Very low	26.3	Very low	133 Å²	133	159.9 Å²	159.9	82%	0.816	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-76.1	155.9	177.4	39	0	0	0	0	112.6
559	P	30	Very low	26.3	Very low	117 Å²	117	160.7 Å²	160.7	76%	0.76	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-87.1	169.1	-174	36.4	-37.7	0	0	0	113.4
560	Q	24.3	Very low	26.6	Very low	195 Å²	195	156 Å²	156	91%	0.911	83%	0.829	S	S	*	*			trans	-135.6	154.8	162.3	-76.2	-162.9	-31	0	0	112.5
561	H	27.9	Very low	26.9	Very low	192 Å²	192	153 Å²	153	89%	0.889	82%	0.821	S	S	*	*			trans	-104.4	155.8	179.4	-104.3	-111	0	0	0	111.4
562	H	25.8	Very low	26.8	Very low	179 Å²	179	154.3 Å²	154.3	83%	0.829	83%	0.827	S	S	*	*			trans	-80	138	168.8	-69.9	-110.8	0	0	0	111.8
563	L	29.2	Very low	27.1	Very low	175 Å²	175	150.7 Å²	150.7	92%	0.916	81%	0.814	S	S	*	*				-173.4	168.1	109.5	-98.9	166.7	0	0	0	112.5
564	R	27.2	Very low	27.4	Very low	228 Å²	228	150.2 Å²	150.2	86%	0.86	81%	0.812	S	S	*	*			trans	-99.7	153.3	-167.2	-66.8	175.9	165.4	-172.4	-4.4	113.7
565	Y	28.5	Very low	27.6	Very low	245 Å²	245	149.2 Å²	149.2	96%	0.961	81%	0.805	S	S	*	*				-160.7	155.8	113	-107.6	-79.3	0	0	0	108.9
566	G	27.2	Very low	28	Very low	65 Å²	65	148.1 Å²	148.1	67%	0.67	80%	0.798	S	S	*	*			trans	173.4	-179.2	-178.8	0	0	0	0	0	114.4
567	T	25.6	Very low	28	Very low	140 Å²	140	146.6 Å²	146.6	86%	0.859	80%	0.796	S	S	*	*			trans	-150.8	161.2	176.6	47.9	0	0	0	0	112.8
568	S	27	Very low	28.3	Very low	105 Å²	105	145 Å²	145	73%	0.734	79%	0.789	S	S	*	*			trans	80.3	81.3	156.4	-59.1	0	0	0	0	121.5
569	K	26.6	Very low	28.3	Very low	192 Å²	192	145.1 Å²	145.1	84%	0.835	79%	0.79	S	S	*	*				69	114.2	127.7	-66.5	-176.8	175.4	-175.8	0	122.1
570	S	28.9	Very low	28.6	Very low	107 Å²	107	147.3 Å²	147.3	75%	0.748	79%	0.792	S	S	*	*			trans	57.7	143.2	136.1	59.9	0	0	0	0	121
571	S	30.5	Very low	29.1	Very low	101 Å²	101	143.9 Å²	143.9	71%	0.706	79%	0.787	S	S	*	*			cis	-164.8	134.3	-16.5	-86.7	0	0	0	0	104.4
572	E	26	Very low	29	Very low	178 Å²	178	137.7 Å²	137.7	83%	0.832	77%	0.774	S	S	*	*				58.1	133.6	66.7	-62.5	-161.3	124.5	0	0	115.3
573	S	30.9	Very low	29	Very low	82 Å²	82	136.1 Å²	136.1	57%	0.573	78%	0.778	S	S	*	*			cis	-173	-169.7	-15	-86.6	0	0	0	0	109.2
574	D	32.9	Very low	28.9	Very low	137 Å²	137	139.6 Å²	139.6	73%	0.733	78%	0.779	S	S	*	*			trans	81.3	155.6	137.1	-65.5	-18	0	0	0	121.8
575	L	30.1	Very low	29	Very low	133 Å²	133	136.2 Å²	136.2	70%	0.696	78%	0.777	S	S	*	*			cis	-164.8	146.5	-18.5	-105.7	164.2	0	0	0	111.9
576	S	31.6	Very low	29.7	Very low	96 Å²	96	129.4 Å²	129.4	67%	0.671	76%	0.763	S	S	*	*			trans	49.9	-178.2	139.5	-60.6	0	0	0	0	120.5
577	T	27.6	Very low	29.8	Very low	133 Å²	133	133.8 Å²	133.8	82%	0.816	77%	0.77	S	S	*	*			cis	-147.8	168.8	8.1	-36.3	0	0	0	0	112.4
578	C	29.6	Very low	30.8	Very low	113 Å²	113	132 Å²	132	76%	0.764	76%	0.761	S	S	*	*			trans	-79.5	172.6	177.6	-45.3	0	0	0	0	114.5
579	T	27.9	Very low	30.8	Very low	135 Å²	135	136.4 Å²	136.4	83%	0.828	77%	0.77	S	S	*	*				171.4	160.7	124.1	-69.8	0	0	0	0	112.1
580	M	35.9	Very low	30.8	Very low	163 Å²	163	132.2 Å²	132.2	80%	0.803	76%	0.764	S	S	*	*			trans	-121.5	145.8	172	-80.4	-73.1	-60.7	0	0	110.9
581	P	33.3	Very low	31.5	Very low	123 Å²	123	132.3 Å²	132.3	80%	0.799	76%	0.763	S	S	*	*				-142.3	-161.1	120.3	37.8	-22.9	0	0	0	112.4
582	G	26.3	Very low	31.5	Very low	61 Å²	61	139 Å²	139	63%	0.629	77%	0.772	S	S	*	*			trans	-164.8	-153.2	-178.2	0	0	0	0	0	116.5
583	T	25.8	Very low	31.7	Very low	146 Å²	146	141.7 Å²	141.7	90%	0.896	78%	0.775	S	S	*	*			trans	75	119.7	179.8	67.8	0	0	0	0	119.2
584	R	28.1	Very low	32.1	Very low	249 Å²	249	143.6 Å²	143.6	94%	0.94	79%	0.785	S	S	*	*			trans	-156.8	138.1	134.6	-149.7	173.9	-85.6	-113.6	-0.2	111.5
585	L	28.8	Very low	31.8	Very low	156 Å²	156	142 Å²	142	82%	0.817	79%	0.785	S	S	*	*			trans	-93.6	-178.3	168.4	-90.3	164.8	0	0	0	108.8
586	P	43.2	Very low	31.9	Very low	103 Å²	103	141.2 Å²	141.2	67%	0.669	79%	0.79	S	S	*	*			cis	-151	163.4	25.3	40.7	-18.5	0	0	0	120.8
587	L	29.6	Very low	31.7	Very low	156 Å²	156	142.7 Å²	142.7	82%	0.817	80%	0.801	S	S	*	*			trans	57.6	173.9	148.9	-84.7	93.7	0	0	0	118.5
588	P	45.2	Very low	31.7	Very low	104 Å²	104	142.3 Å²	142.3	68%	0.675	80%	0.803	S	S	*	*				-135	160.9	-64.6	39.7	-23.8	0	0	0	114.6
589	E	27.2	Very low	31.6	Very low	196 Å²	196	140.6 Å²	140.6	92%	0.916	81%	0.805	S	S	*	*				172.1	172.8	122.7	-94.8	-165.8	156.9	0	0	111.8
590	S	26.6	Very low	31.6	Very low	104 Å²	104	138 Å²	138	73%	0.727	81%	0.805	S	S	*	*			trans	-139.9	160.8	-174.3	81.8	0	0	0	0	109.6
591	P	43.3	Very low	31.6	Very low	109 Å²	109	136 Å²	136	71%	0.708	80%	0.804	S	S	*	*				-157.5	-175.6	72.1	40.3	-18.2	0	0	0	117.8
592	R	30.6	Very low	31.3	Very low	241 Å²	241	141.4 Å²	141.4	91%	0.909	81%	0.809	S	S	*	*			trans	88.7	95.9	158.2	-62.2	-174.3	-178.4	-141	-2.4	120.9
593	R	30.7	Very low	31.4	Very low	236 Å²	236	144 Å²	144	89%	0.891	82%	0.817	S	S	*	*			trans	-32.3	170	133.5	-95.1	-172.2	-179.8	-175.2	1.4	115.8
594	P	38.8	Very low	31.5	Very low	121 Å²	121	140.5 Å²	140.5	79%	0.786	80%	0.803	S	S	*	*			cis	-132.3	177.3	21.6	25.8	-1.1	0	0	0	118.2
595	S	26.6	Very low	31.5	Very low	105 Å²	105	136.9 Å²	136.9	73%	0.734	80%	0.796	S	S	*	*			trans	-81.4	167.1	-179.5	52.8	0	0	0	0	114.9
596	S	33	Very low	31.4	Very low	115 Å²	115	134.1 Å²	134.1	80%	0.804	79%	0.786	S	S	*	*			trans	-62.9	162.2	163.9	49.8	0	0	0	0	114
597	S	27.4	Very low	30.6	Very low	127 Å²	127	136.4 Å²	136.4	89%	0.888	79%	0.787	S	S	*	*			trans	-147.8	174.6	164.9	66.7	0	0	0	0	110.3
598	S	28.4	Very low	30.5	Very low	125 Å²	125	135.9 Å²	135.9	87%	0.874	79%	0.785	S	S	*	*			trans	-141.4	149	-165	54.9	0	0	0	0	114.3
599	G	26.6	Very low	29.6	Very low	78 Å²	78	140.8 Å²	140.8	80%	0.804	80%	0.796	S	S	*	*			trans	130.4	76.7	148.5	0	0	0	0	0	120.8
600	G	27.4	Very low	29.8	Very low	79 Å²	79	141.6 Å²	141.6	81%	0.814	79%	0.79	S	S	*	*			trans	62.6	-169	154.7	0	0	0	0	0	118.1
601	P	36.9	Very low	30.3	Very low	121 Å²	121	141.7 Å²	141.7	79%	0.786	79%	0.789	S	S	*	*			cis	-127.5	178.8	-11.3	42	-27.6	0	0	0	114.5
602	R	27.2	Very low	29.4	Very low	238 Å²	238	143.5 Å²	143.5	90%	0.898	79%	0.788	S	S	*	*			trans	42.1	117.1	151.7	-77.4	-174.9	171.5	-168.2	-2	121.8
603	S	28.4	Very low	29.2	Very low	115 Å²	115	137.9 Å²	137.9	80%	0.804	78%	0.781	S	S	*	*				91.3	121.9	116.9	-165.3	0	0	0	0	122.5
604	A	27.8	Very low	29	Very low	73 Å²	73	131 Å²	131	60%	0.603	77%	0.768	S	S	*	*			trans	88.9	123.8	137	0	0	0	0	0	123
605	H	27.8	Very low	28.4	Very low	173 Å²	173	132.7 Å²	132.7	80%	0.801	77%	0.77	S	S	*	*			trans	76.5	145.9	141.2	-70.2	34.5	0	0	0	116.8
606	T	26.5	Very low	28.5	Very low	98 Å²	98	135.7 Å²	135.7	60%	0.601	78%	0.777	S	S	*	*			cis	-159.4	166.8	3.4	-0.9	0	0	0	0	112.7
607	H	26.8	Very low	28.2	Very low	150 Å²	150	141 Å²	141	69%	0.694	78%	0.779	S	S	*	*			trans	61.9	115.4	154.4	-63.3	-45.8	0	0	0	119.1
608	L	27.7	Very low	29.1	Very low	146 Å²	146	139.9 Å²	139.9	76%	0.764	77%	0.769	S	S	*	*				68.9	121	82.7	-71.6	178.5	0	0	0	115
609	F	26.7	Very low	30.4	Very low	207 Å²	207	139.6 Å²	139.6	91%	0.908	76%	0.764	S	S	*	*				-168.8	159.9	115.4	-110.7	-72.8	0	0	0	112.7
610	R	29.6	Very low	31.4	Very low	212 Å²	212	141.4 Å²	141.4	80%	0.8	76%	0.762	S	S	*	*			trans	-146.5	126.6	169.9	-178.9	-165	-175.8	-165.6	4	108.7
611	P	37.2	Very low	31.4	Very low	106 Å²	106	143.4 Å²	143.4	69%	0.688	76%	0.759	S	S	*	*				-121.1	146.9	123.4	-2.3	23.9	0	0	0	109.8
612	Q	26.2	Very low	30.9	Very low	147 Å²	147	148.6 Å²	148.6	69%	0.687	76%	0.762	S	S	*	*				65	124.3	65.3	-73.4	-171.2	-57	0	0	115.1
613	T	25.7	Very low	30.8	Very low	124 Å²	124	145.2 Å²	145.2	76%	0.761	76%	0.757	S	S	*	*			trans	57.8	145.7	142.5	52.6	0	0	0	0	119.9
614	S	25.6	Very low	30.7	Very low	91 Å²	91	144.8 Å²	144.8	64%	0.636	75%	0.754	S	S	*	*			cis	-177.4	159.8	-1.5	43.5	0	0	0	0	111.8
615	L	27.1	Very low	31.8	Very low	156 Å²	156	145.9 Å²	145.9	82%	0.817	76%	0.755	S	S	*	*			trans	71.6	153	143.9	-78.8	166.5	0	0	0	122.2
616	L	28.8	Very low	32	Very low	168 Å²	168	144.5 Å²	144.5	88%	0.88	75%	0.748	S	S	*	*			trans	84.6	163.5	155.6	-72.8	158.5	0	0	0	121
617	R	26.1	Very low	32.3	Very low	227 Å²	227	146.6 Å²	146.6	86%	0.857	75%	0.751	S	S	*	*			trans	-152.1	-170.3	-153.6	-162.7	-161.3	171.5	179.5	-1.3	108.3
618	P	47.2	Very low	32.3	Very low	104 Å²	104	147.4 Å²	147.4	68%	0.675	76%	0.755	S	S	*	*				-79.1	-162.7	-116.2	44	-27	0	0	0	113.7
619	P	55	Low	32.3	Very low	118 Å²	118	143.8 Å²	143.8	77%	0.766	75%	0.753	S	S	*	*			cis	-122.7	-123.6	0.8	43.8	-22.4	0	0	0	110.7
620	P	48.6	Very low	32.3	Very low	116 Å²	116	140.1 Å²	140.1	75%	0.753	75%	0.747	S	S	*	*			cis	-112.1	-127.6	-3.1	41.2	-23.9	0	0	0	113.7
621	T	27.1	Very low	32.3	Very low	122 Å²	122	136.1 Å²	136.1	75%	0.748	74%	0.741	S	S	*	*			trans	-159.3	147	-162.8	46.7	0	0	0	0	113.6
622	R	26.8	Very low	31.8	Very low	229 Å²	229	133.4 Å²	133.4	86%	0.864	73%	0.733	S	S	*	*			trans	59.8	158.8	158	-76.7	173.4	165.9	149	-2.3	116.8
623	E	24.8	Very low	32	Very low	167 Å²	167	133.8 Å²	133.8	78%	0.78	73%	0.733	S	S	*	*			cis	-143.8	-164.1	18	-148.1	136.2	-111	0	0	113
624	S	26.4	Very low	32.1	Very low	107 Å²	107	136.6 Å²	136.6	75%	0.748	74%	0.737	S	S	*	*			trans	-130	-149.2	178.4	-52.3	0	0	0	0	108.3
625	P	49.8	Very low	32.2	Very low	95 Å²	95	135.4 Å²	135.4	62%	0.617	74%	0.738	S	S	*	*			cis	-140.3	-155	-9.9	27.5	0.4	0	0	0	114.6
626	H	31.6	Very low	32.2	Very low	144 Å²	144	134.5 Å²	134.5	67%	0.667	74%	0.735	S	S	*	*			trans	90	141.6	161.7	-51.2	-56.8	0	0	0	118.4
627	H	32.8	Very low	32.1	Very low	142 Å²	142	133.3 Å²	133.3	66%	0.657	73%	0.734	S	S	*	*			cis	-160	172.5	-16.5	-115.9	-22.8	0	0	0	112.3
628	H	28.1	Very low	32.3	Very low	167 Å²	167	125.6 Å²	125.6	77%	0.773	72%	0.715	S	S	*	*			cis	-95.7	-133.1	13.3	-60.7	-90.6	0	0	0	113.1	V630	H628-V630 HydrophobicContact CB-CG2 4.49Å
629	G	27.9	Very low	32.3	Very low	70 Å²	70	124.7 Å²	124.7	72%	0.722	71%	0.709	S	S	*	*			cis	142.7	163.9	-0.2	0	0	0	0	0	111.9
630	V	27.1	Very low	31	Very low	130 Å²	130	125.1 Å²	125.1	79%	0.788	71%	0.71	S	S	*	*			cis	-162.1	139.8	-21.3	-179.4	0	0	0	0	103.6	H628	H628-V630 HydrophobicContact CB-CG2 4.49Å
631	N	28.4	Very low	30.1	Very low	128 Å²	128	123.7 Å²	123.7	68%	0.684	71%	0.708	S	S	*	*			cis	-135.2	-156.8	3.7	-136.8	13.4	0	0	0	108	F633	N631-F633 VanDerWaalsContact OD1-CE2 3.27Å; N631-F633 WeakPolarHBondContact OD1-CE2 3.45Å; N631-F633 WeakPolarHBondContact OD1-CZ 3.36Å
632	G	27.3	Very low	30.1	Very low	49 Å²	49	123.4 Å²	123.4	51%	0.505	71%	0.711	S	S	.	*			cis	104.1	131.1	-1.8	0	0	0	0	0	115.3
633	F	31	Very low	30.9	Very low	156 Å²	156	118 Å²	118	68%	0.684	71%	0.705	S	S	*	*			cis	-159.2	160.9	-7.2	-60.8	-79.5	0	0	0	110.8	N631	N631-F633 VanDerWaalsContact OD1-CE2 3.27Å; N631-F633 WeakPolarHBondContact OD1-CE2 3.45Å; N631-F633 WeakPolarHBondContact OD1-CZ 3.36Å
634	H	27.5	Very low	30.9	Very low	183 Å²	183	115.2 Å²	115.2	85%	0.847	71%	0.705	S	S	*	*			trans	68.7	148.9	167.3	-42.9	-60.7	0	0	0	117.6
635	G	26.5	Very low	30.9	Very low	65 Å²	65	115.3 Å²	115.3	67%	0.67	71%	0.705	S	S	*	*			cis	160.3	166.2	-7	0	0	0	0	0	111.1
636	N	28.3	Very low	29.9	Very low	138 Å²	138	117.5 Å²	117.5	74%	0.738	72%	0.716	S	S	*	*			cis	-166.5	145.3	-10.3	-86.5	-20.2	0	0	0	111.7
637	T	27	Very low	29.6	Very low	142 Å²	142	115.8 Å²	115.8	87%	0.871	72%	0.72	S	S	*	*			trans	63.3	148.3	150.5	52.6	0	0	0	0	124.4
638	S	30.2	Very low	29.4	Very low	65 Å²	65	114.7 Å²	114.7	46%	0.455	73%	0.729	S	S	.	*			trans	-109.4	167.7	170.5	-35.4	0	0	0	0	111.9	P768	S638-P768 WeakPolarHBondContact CB-O 3.35Å; S638-P768 PolarHBondContact OG-O 2.45Å
639	P	46.3	Very low	30.2	Very low	85 Å²	85	113 Å²	113	55%	0.552	73%	0.733	S	S	*	*				-162.5	-169.9	87.9	42.7	-20.8	0	0	0	118.5	P767	P639-P767 HydrophobicContact CB-CG 4.45Å
640	T	28.1	Very low	30.1	Very low	128 Å²	128	112.9 Å²	112.9	79%	0.785	73%	0.731	S	S	*	*			trans	74.3	170.1	167.3	23.4	0	0	0	0	117.8
641	A	29.8	Very low	30.6	Very low	86 Å²	86	111 Å²	111	71%	0.711	73%	0.729	S	S	*	*			cis	-145.4	-170	14.6	0	0	0	0	0	114.8
642	S	26.8	Very low	30.6	Very low	115 Å²	115	114.2 Å²	114.2	80%	0.804	74%	0.743	S	S	*	*			trans	-169.1	-176.8	178.8	-66.5	0	0	0	0	109.8
643	P	42.8	Very low	30.8	Very low	115 Å²	115	117.2 Å²	117.2	75%	0.747	76%	0.756	S	S	*	*			cis	-141.8	-154.7	3.4	46.1	-25.6	0	0	0	115.7
644	S	25.9	Very low	30.8	Very low	110 Å²	110	116.9 Å²	116.9	77%	0.769	77%	0.766	S	S	*	*			trans	73	150.6	161.1	70.7	0	0	0	0	120.3
645	S	26.3	Very low	30.7	Very low	108 Å²	108	111.7 Å²	111.7	76%	0.755	76%	0.763	S	S	*	*			cis	-165.4	120.8	-25.7	51.8	0	0	0	0	113
646	V	28.1	Very low	30.8	Very low	142 Å²	142	115 Å²	115	86%	0.861	78%	0.775	S	S	*	*			trans	-163.8	162.4	172.3	-79	0	0	0	0	109.1
647	S	25.5	Very low	30.8	Very low	107 Å²	107	111.3 Å²	111.3	75%	0.748	77%	0.77	S	S	*	*			cis	-166.1	165	-25.1	-87.5	0	0	0	0	109.6
648	S	28.9	Very low	30.9	Very low	119 Å²	119	115.1 Å²	115.1	83%	0.832	77%	0.774	S	S	*	*			trans	-144.9	-178.1	-178.8	-37.5	0	0	0	0	110.2
649	P	43.7	Very low	30.9	Very low	133 Å²	133	114.7 Å²	114.7	86%	0.864	78%	0.781	S	S	*	*			cis	-120	-175.9	22.7	42.9	-28.5	0	0	0	113.7
650	G	27.1	Very low	30.6	Very low	66 Å²	66	114.6 Å²	114.6	68%	0.68	80%	0.795	S	S	*	*			cis	-173.7	138	-6.3	0	0	0	0	0	108.1
651	A	36.4	Very low	31.1	Very low	91 Å²	91	113.7 Å²	113.7	75%	0.752	78%	0.78	S	S	*	*				83.1	110.7	62.1	0	0	0	0	0	114.5
652	M	29.6	Very low	31.5	Very low	196 Å²	196	116.2 Å²	116.2	97%	0.966	79%	0.787	S	S	*	*			trans	-142.2	146.8	132.8	-78.4	-54.6	155.7	0	0	108.6
653	S	31.3	Very low	32.5	Very low	112 Å²	112	114.8 Å²	114.8	78%	0.783	79%	0.791	S	S	*	*			trans	-160	144.3	-167	178.6	0	0	0	0	112.9
654	V	31.7	Very low	33.2	Very low	148 Å²	148	110.3 Å²	110.3	90%	0.897	77%	0.765	S	S	*	*			trans	-165.7	136.4	154.4	-94.8	0	0	0	0	107.2
655	G	25.1	Very low	35.3	Very low	75 Å²	75	111.9 Å²	111.9	77%	0.773	76%	0.76	S	S	*	*			cis	132.3	126.5	-1.1	0	0	0	0	0	110.8
656	S	29	Very low	37.7	Very low	134 Å²	134	111 Å²	111	94%	0.937	75%	0.747	S	S	*	*			cis	-152.3	-171.1	-3.2	-165.6	0	0	0	0	110.2
657	G	28.5	Very low	40.4	Very low	60 Å²	60	105.5 Å²	105.5	62%	0.619	71%	0.714	S	S	*	*			trans	-138.8	179.8	-173.7	0	0	0	0	0	117.1
658	F	27	Very low	43.2	Very low	222 Å²	222	104.6 Å²	104.6	97%	0.974	71%	0.705	S	S	*	*			trans	-162.9	152	173.3	-96.3	-83.9	0	0	0	107.2
659	G	32	Very low	45.8	Very low	57 Å²	57	99 Å²	99	59%	0.588	67%	0.666	S	S	*	*			cis	-176.3	146.8	-5.7	0	0	0	0	0	108.5
660	G	38.6	Very low	47.5	Very low	83 Å²	83	95.1 Å²	95.1	86%	0.856	65%	0.645	S	S	*	*			trans	-88.1	145.1	-168.3	0	0	0	0	0	115.8
661	F	38.2	Very low	49.9	Very low	108 Å²	108	92.3 Å²	92.3	47%	0.474	61%	0.614	S	S	.	*			trans	-106.8	136.4	172.7	-72	-86.4	0	0	0	111.8	L693 Y748	F661-L693 HydrophobicContact CE2-CD1 4.16Å; F661-L693 HydrophobicContact CE2-CD2 3.87Å; F661-L693 HydrophobicContact CZ-CD1 3.85Å; F661-L693 HydrophobicContact CZ-CD2 3.81Å; F661-Y748 HydrophobicContact CB-CE1 4.46Å
662	T	39.3	Very low	51.2	Low	140 Å²	140	90.2 Å²	90.2	86%	0.859	60%	0.597	S	S	*	*			trans	-136	125.8	176.8	54.6	0	0	0	0	111
663	G	48.3	Very low	52.7	Low	85 Å²	85	86.9 Å²	86.9	88%	0.876	58%	0.579	S	S	*	*	S	Bend	trans	126.4	-22.7	165.6	0	0	0	0	0	117.3	Y748	G663-Y748 PolarHBondContact N-OH 2.89Å
664	G	56.6	Low	53.9	Low	20 Å²	20	82.6 Å²	82.6	21%	0.206	55%	0.549	C	S	.	.			trans	-87	155.4	174.8	0	0	0	0	0	114	Y748	G664-Y748 VanDerWaalsContact CA-CZ 3.44Å; G664-Y748 VanDerWaalsContact N-CZ 3.33Å; G664-Y748 PolarHBondContact N-OH 3.13Å; G664-Y748 VanDerWaalsContact O-CE2 3.22Å; G664-Y748 WeakPolarHBondContact O-CE2 3.43Å
665	E	70.1	Confident	54.7	Low	143 Å²	143	84 Å²	84	67%	0.668	55%	0.545	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	141.5	177.8	-171.1	175.3	-179.9	0	0	111	V667 Y748 R749	E665-V667 HydrophobicContact CB-CG2 4.31Å; E665-V667 HydrophobicContact CG-CG2 4.13Å; E665-V667 PolarHBondContact O-N 2.85Å; E665-Y748 WeakPolarHBondContact O-CA 3.29Å; E665-R749 PolarHBondContact N-O 3.13Å; E665-R749 PolarHBondContact O-N 2.92Å
666	L	77.9	Confident	56	Low	90 Å²	90	83 Å²	83	47%	0.471	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	94.8	173.6	-75.6	170.3	0	0	0	109.8	V715 L746 V747 Y748	L666-V715 HydrophobicContact CD2-CB 4.21Å; L666-V715 HydrophobicContact CD2-CG1 4.29Å; L666-V715 HydrophobicContact CD2-CG2 3.9Å; L666-L746 HydrophobicContact CB-CD1 4.16Å; L666-L746 HydrophobicContact CB-CD2 4.25Å; L666-L746 HydrophobicContact CB-CG 4.16Å; L666-L746 HydrophobicContact CD1-CD2 4.29Å; L666-L746 HydrophobicContact CD2-CD2 4.18Å; L666-L746 HydrophobicContact CD2-CG 4.19Å; L666-L746 HydrophobicContact CG-CD2 4.48Å; L666-V747 CarbonylContact C-O 3.59Å; L666-V747 WeakPolarHBondContact CA-O 3.38Å; L666-Y748 HydrophobicContact CD2-CD2 3.86Å; L666-Y748 HydrophobicContact CG-CD2 4.19Å
667	V	83.9	Confident	56.9	Low	27 Å²	27	83.2 Å²	83.2	16%	0.164	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	124.1	-175.5	-177.5	0	0	0	0	110.2	E665 V669 V747 R749	E665-V667 HydrophobicContact CB-CG2 4.31Å; E665-V667 HydrophobicContact CG-CG2 4.13Å; E665-V667 PolarHBondContact O-N 2.85Å; V667-V669 HydrophobicContact CG1-CG2 4.23Å; V667-V747 HydrophobicContact CB-CG2 4.25Å; V667-V747 PolarHBondContact N-O 3.25Å; V667-V747 WeakPolarHBondContact O-CG2 3.49Å; V667-V747 PolarHBondContact O-N 3.47Å; V667-R749 HydrophobicContact CG2-CB 3.9Å
668	P	83.8	Confident	58	Low	88 Å²	88	89.7 Å²	89.7	57%	0.571	53%	0.531	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	128.7	169.3	30.2	-32.2	0	0	0	110.6	I744 L745 L746	P668-I744 HydrophobicContact CB-CG2 4.27Å; P668-L745 CarbonylContact C-O 3.58Å; P668-L745 WeakPolarHBondContact CA-O 3.38Å; P668-L746 HydrophobicContact CB-CD1 4.3Å
669	V	82.9	Confident	59.6	Low	0 Å²	0	81.8 Å²	81.8	0%	0	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	111.3	179.3	173.7	0	0	0	0	108.9	V667 L671 L708 L745 V747	V667-V669 HydrophobicContact CG1-CG2 4.23Å; V669-L671 HydrophobicContact CG1-CD2 4.49Å; V669-L708 HydrophobicContact CB-CD1 4.41Å; V669-L708 HydrophobicContact CG1-CB 4Å; V669-L708 HydrophobicContact CG1-CD1 3.97Å; V669-L708 HydrophobicContact CG2-CD1 4.41Å; V669-L745 HydrophobicContact CB-CB 4.42Å; V669-L745 PolarHBondContact N-O 2.84Å; V669-L745 PolarHBondContact O-N 3.4Å; V669-V747 HydrophobicContact CG2-CG2 3.83Å
670	A	79.9	Confident	61.4	Low	53 Å²	53	80.4 Å²	80.4	44%	0.438	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	131.9	172.1	0	0	0	0	0	110.7	V743 I744	A670-V743 WeakPolarHBondContact CA-O 3.38Å; A670-I744 HydrophobicContact CB-CG1 4.47Å
671	L	78.4	Confident	62.9	Low	6 Å²	6	77 Å²	77	3%	0.031	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	128.3	169.9	-54.6	179.1	0	0	0	108.9	V669 F682 C705 T738 V743 L745	V669-L671 HydrophobicContact CG1-CD2 4.49Å; L671-F682 HydrophobicContact CD1-CE1 3.82Å; L671-F682 HydrophobicContact CD1-CZ 4.09Å; L671-F682 HydrophobicContact CD2-CE1 3.9Å; L671-C705 HydrophobicContact CD2-CB 4.36Å; L671-T738 HydrophobicContact CD1-CG2 4.37Å; L671-V743 HydrophobicContact CB-CB 4.34Å; L671-V743 HydrophobicContact CD1-CB 4.22Å; L671-V743 HydrophobicContact CD1-CG1 4.21Å; L671-V743 PolarHBondContact N-O 3.23Å; L671-L745 HydrophobicContact CD1-CD1 4.14Å; L671-L745 HydrophobicContact CD1-CD2 4.17Å; L671-L745 HydrophobicContact CD1-CG 4.16Å; L671-L745 HydrophobicContact CD2-CD1 4.16Å; L671-L745 HydrophobicContact CG-CD1 4.29Å; L671-L745 HydrophobicContact CG-CG 4.21Å
672	A	63.9	Low	65	Low	47 Å²	47	72.6 Å²	72.6	39%	0.388	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-67.7	148.5	174.2	0	0	0	0	0	111	T674 Q704	A672-T674 PolarHBondContact O-N 2.95Å; A672-Q704 HydrophobicContact CB-CG 4.4Å; A672-Q704 PolarHBondContact N-O 3.08Å; A672-Q704 PolarHBondContact O-NE2 3.36Å
673	Q	61.2	Low	67.1	Low	127 Å²	127	66.9 Å²	66.9	59%	0.593	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-60.1	132.3	-174.6	-66.2	-176.8	3.9	0	0	113.1	E675 E742	Q673-E675 PolarHBondContact O-N 2.93Å; Q673-E742 HydrophobicContact CG-CG 4.35Å
674	T	55	Low	68.9	Low	22 Å²	22	63.4 Å²	63.4	14%	0.135	36%	0.364	C	S	.	.			trans	-78.4	102.6	171	41.8	0	0	0	0	110.5	A672 G676 T738	A672-T674 PolarHBondContact O-N 2.95Å; T674-G676 PolarHBondContact O-N 3.06Å; T674-T738 WeakPolarHBondContact OG1-CB 3.14Å; T674-T738 PolarHBondContact OG1-O 2.83Å; T674-T738 PolarHBondContact OG1-OG1 2.91Å
675	E	49.2	Very low	70	Confident	176 Å²	176	66.9 Å²	66.9	82%	0.822	38%	0.376	S	S	*	.			trans	-86.3	108.8	169.2	-163.3	173.9	-142.9	0	0	110.9	Q673 R678	Q673-E675 PolarHBondContact O-N 2.93Å; E675-R678 PolarHBondContact O-NH2 3.24Å
676	G	51.3	Low	70.4	Confident	54 Å²	54	62.7 Å²	62.7	56%	0.557	37%	0.366	S	S	*	.	S	Bend	trans	91.1	174.6	-175.3	0	0	0	0	0	113.9	T674 R678	T674-G676 PolarHBondContact O-N 3.06Å; G676-R678 PolarHBondContact O-N 2.7Å
677	D	49.4	Very low	69.7	Low	140 Å²	140	59.1 Å²	59.1	75%	0.749	35%	0.351	S	S	*	.	S	Bend	trans	-79.1	35.9	-168.3	-138.4	28.8	0	0	0	114	K739	D677-K739 IonicContact OD1-NZ 2.74Å; D677-K739 PolarHBondContact OD1-NZ 3.48Å
678	R	51.9	Low	68.7	Low	196 Å²	196	59.8 Å²	59.8	74%	0.74	36%	0.363	S	S	*	.			trans	-79.1	134.4	169.8	-82.3	175.6	-81.9	-123.7	-3.8	109.5	E675 G676	E675-R678 PolarHBondContact O-NH2 3.24Å; G676-R678 PolarHBondContact O-N 2.7Å
679	G	60.4	Low	66.9	Low	55 Å²	55	62.2 Å²	62.2	57%	0.567	38%	0.382	S	S	*	.			trans	-65.1	167.2	178.3	0	0	0	0	0	113.4	G681	G679-G681 PolarHBondContact O-N 3.44Å
680	L	68.4	Low	65.6	Low	29 Å²	29	65.7 Å²	65.7	15%	0.152	42%	0.418	C	S	.	.			trans	-56.8	-1.2	-165.4	-63.9	170.3	0	0	0	117.9	F682 L734 T738	L680-F682 HydrophobicContact CB-CD1 4.5Å; L680-F682 HydrophobicContact CB-CE1 4.25Å; L680-F682 WeakPolarHBondContact O-CD1 3.16Å; L680-F682 VanDerWaalsContact O-CE1 3.31Å; L680-F682 WeakPolarHBondContact O-CE1 3.09Å; L680-F682 PolarHBondContact O-N 2.91Å; L680-L734 HydrophobicContact CD1-CB 3.62Å; L680-L734 HydrophobicContact CD1-CD1 4.13Å; L680-L734 HydrophobicContact CD2-CB 4.02Å; L680-T738 HydrophobicContact CD2-CG2 3.74Å
681	G	70.3	Confident	64.4	Low	12 Å²	12	65.3 Å²	65.3	12%	0.124	42%	0.419	C	S	.	.	S	Bend	trans	79.5	-10.9	179.9	0	0	0	0	0	115.7	G679 F700 D701	G679-G681 PolarHBondContact O-N 3.44Å; G681-F700 WeakPolarHBondContact O-CA 3.35Å; G681-F700 PolarHBondContact O-N 3.05Å; G681-D701 PolarHBondContact O-N 3.38Å
682	F	83.4	Confident	63.4	Low	14 Å²	14	73.5 Å²	73.5	6%	0.061	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	160.3	177.6	60.3	-84.1	0	0	0	112	L671 L680 L684 V696 R698 V699 L708 L734 L745	L671-F682 HydrophobicContact CD1-CE1 3.82Å; L671-F682 HydrophobicContact CD1-CZ 4.09Å; L671-F682 HydrophobicContact CD2-CE1 3.9Å; L680-F682 HydrophobicContact CB-CD1 4.5Å; L680-F682 HydrophobicContact CB-CE1 4.25Å; L680-F682 WeakPolarHBondContact O-CD1 3.16Å; L680-F682 VanDerWaalsContact O-CE1 3.31Å; L680-F682 WeakPolarHBondContact O-CE1 3.09Å; L680-F682 PolarHBondContact O-N 2.91Å; F682-L684 HydrophobicContact CD2-CD2 4.01Å; F682-L684 HydrophobicContact CD2-CG 4.16Å; F682-L684 HydrophobicContact CE2-CD1 4.24Å; F682-L684 HydrophobicContact CE2-CD2 3.79Å; F682-L684 HydrophobicContact CE2-CG 3.93Å; F682-V696 HydrophobicContact CB-CG1 4.48Å; F682-V696 HydrophobicContact CD2-CG1 4.39Å; F682-V696 HydrophobicContact CD2-CG2 4.44Å; F682-R698 CarbonylContact C-O 3.52Å; F682-R698 VanDerWaalsContact CA-O 3.28Å; F682-R698 WeakPolarHBondContact CA-O 3.11Å; F682-R698 VanDerWaalsContact CB-O 3.29Å; F682-R698 WeakPolarHBondContact CB-O 3.46Å; F682-V699 HydrophobicContact CB-CB 4.35Å; F682-V699 HydrophobicContact CB-CG1 4.43Å; F682-V699 HydrophobicContact CB-CG2 4.07Å; F682-L708 HydrophobicContact CB-CD2 4.22Å; F682-L708 HydrophobicContact CD1-CD2 3.67Å; F682-L708 HydrophobicContact CD2-CD2 3.87Å; F682-L708 HydrophobicContact CE1-CD2 3.92Å; F682-L708 HydrophobicContact CE2-CD2 4.1Å; F682-L708 HydrophobicContact CG-CD2 3.65Å; F682-L708 HydrophobicContact CZ-CD2 4.13Å; F682-L734 HydrophobicContact CE2-CD1 4.24Å; F682-L734 HydrophobicContact CZ-CD1 4.08Å; F682-L745 HydrophobicContact CZ-CD1 4.15Å
683	S	82.4	Confident	63.7	Low	21 Å²	21	72.6 Å²	72.6	15%	0.147	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	153.3	170.8	59	0	0	0	0	111.9	E697 R698 F700	S683-E697 WeakPolarHBondContact CB-OE2 3.42Å; S683-E697 PolarHBondContact O-N 2.9Å; S683-E697 PolarHBondContact OG-OE2 3.04Å; S683-R698 PolarHBondContact N-O 2.73Å; S683-R698 PolarHBondContact OG-N 3.07Å; S683-F700 WeakPolarHBondContact OG-CZ 3.06Å
684	L	86.1	Confident	64.6	Low	12 Å²	12	66.9 Å²	66.9	6%	0.063	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	141.4	177.4	-68.6	176.6	0	0	0	109.3	F682 T694 V695 V696 V714 L727 I730 Q731 L734	F682-L684 HydrophobicContact CD2-CD2 4.01Å; F682-L684 HydrophobicContact CD2-CG 4.16Å; F682-L684 HydrophobicContact CE2-CD1 4.24Å; F682-L684 HydrophobicContact CE2-CD2 3.79Å; F682-L684 HydrophobicContact CE2-CG 3.93Å; L684-T694 HydrophobicContact CB-CG2 3.87Å; L684-T694 HydrophobicContact CD1-CG2 3.84Å; L684-T694 HydrophobicContact CD2-CG2 3.95Å; L684-T694 HydrophobicContact CG-CG2 4.1Å; L684-V695 CarbonylContact C-O 3.51Å; L684-V695 WeakPolarHBondContact CA-O 3.45Å; L684-V696 HydrophobicContact CD2-CB 4.5Å; L684-V696 HydrophobicContact CD2-CG2 3.93Å; L684-V714 HydrophobicContact CD2-CG2 3.96Å; L684-L727 HydrophobicContact CB-CD1 3.87Å; L684-I730 HydrophobicContact CD1-CG2 3.85Å; L684-Q731 HydrophobicContact CD1-CG 4.36Å; L684-L734 HydrophobicContact CD1-CD1 3.61Å
685	M	81.1	Confident	66.1	Low	92 Å²	92	66.3 Å²	66.3	45%	0.453	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	156.5	173.7	69.3	-170.4	-52.5	0	0	111.2	V695 E697	M685-V695 HydrophobicContact CG-CB 4.33Å; M685-V695 PolarHBondContact N-O 3.41Å; M685-V695 PolarHBondContact O-N 2.87Å; M685-E697 HydrophobicContact CB-CB 3.99Å; M685-E697 HydrophobicContact CB-CG 4.3Å; M685-E697 HydrophobicContact CE-CG 4.46Å; M685-E697 HydrophobicContact CG-CB 3.89Å; M685-E697 HydrophobicContact CG-CG 4.31Å; M685-E697 HydrophobicContact SD-CB 3.73Å; M685-E697 HydrophobicContact SD-CG 3.63Å
686	A	78.1	Confident	67.9	Low	55 Å²	55	58 Å²	58	46%	0.455	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	133	168.2	0	0	0	0	0	109.7
687	G	63.2	Low	69.4	Low	16 Å²	16	58.6 Å²	58.6	17%	0.165	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	168	-174.9	0	0	0	0	0	113.6	L693	G687-L693 PolarHBondContact N-O 3.18Å; G687-L693 PolarHBondContact O-N 3.47Å
688	G	61.6	Low	70.7	Confident	40 Å²	40	58.6 Å²	58.6	41%	0.412	35%	0.347	S	S	.	.	S	Bend	trans	78.4	157.7	-174.7	0	0	0	0	0	113.8	G690 G691	G688-G690 PolarHBondContact O-N 2.9Å; G688-G691 PolarHBondContact O-N 3.47Å
689	S	46.1	Very low	72.2	Confident	139 Å²	139	50.1 Å²	50.1	97%	0.972	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	92	177.4	53	0	0	0	0	110.8
690	G	55.4	Low	72.8	Confident	74 Å²	74	53.5 Å²	53.5	76%	0.763	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	128.7	-2.3	-173.2	0	0	0	0	0	114.6	G688 R692	G688-G690 PolarHBondContact O-N 2.9Å; G690-R692 PolarHBondContact O-N 3.2Å; G690-R692 VanDerWaalsContact O-N 3.1Å
691	G	56.2	Low	73	Confident	44 Å²	44	55.4 Å²	55.4	45%	0.454	33%	0.327	S	S	.	.	S	Bend	trans	64.1	17.4	170.8	0	0	0	0	0	115.5	G688	G688-G691 PolarHBondContact O-N 3.47Å
692	R	57.8	Low	73	Confident	179 Å²	179	63.4 Å²	63.4	68%	0.675	35%	0.354	S	S	*	.			trans	-97.1	-17.9	-169.5	-162.3	172.2	-173.4	173.6	2.9	114.1	G690	G690-R692 PolarHBondContact O-N 3.2Å; G690-R692 VanDerWaalsContact O-N 3.1Å
693	L	68.9	Low	72.1	Confident	28 Å²	28	71.1 Å²	71.1	15%	0.147	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	146.3	170.1	-68.5	99.3	0	0	0	109.9	F661 G687	F661-L693 HydrophobicContact CE2-CD1 4.16Å; F661-L693 HydrophobicContact CE2-CD2 3.87Å; F661-L693 HydrophobicContact CZ-CD1 3.85Å; F661-L693 HydrophobicContact CZ-CD2 3.81Å; G687-L693 PolarHBondContact N-O 3.18Å; G687-L693 PolarHBondContact O-N 3.47Å
694	T	81.1	Confident	71.4	Confident	6 Å²	6	71.6 Å²	71.6	4%	0.037	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.5	172.3	-72	0	0	0	0	109.5	L684 V714 L727 I730	L684-T694 HydrophobicContact CB-CG2 3.87Å; L684-T694 HydrophobicContact CD1-CG2 3.84Å; L684-T694 HydrophobicContact CD2-CG2 3.95Å; L684-T694 HydrophobicContact CG-CG2 4.1Å; T694-V714 PolarHBondContact O-N 3.13Å; T694-L727 HydrophobicContact CG2-CD1 3.73Å; T694-I730 HydrophobicContact CG2-CD1 4.17Å; T694-I730 HydrophobicContact CG2-CG2 4.18Å; T694-I730 VanDerWaalsContact OG1-CD1 3.31Å; T694-I730 WeakPolarHBondContact OG1-CD1 3.38Å
695	V	86.1	Confident	70.8	Confident	11 Å²	11	71.1 Å²	71.1	7%	0.067	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	142.7	-171	-176.3	0	0	0	0	109.6	L684 M685 E697 D712 A713	L684-V695 CarbonylContact C-O 3.51Å; L684-V695 WeakPolarHBondContact CA-O 3.45Å; M685-V695 HydrophobicContact CG-CB 4.33Å; M685-V695 PolarHBondContact N-O 3.41Å; M685-V695 PolarHBondContact O-N 2.87Å; V695-E697 PolarHBondContact O-N 2.92Å; V695-D712 CarbonylContact C-O 3.55Å; V695-D712 WeakPolarHBondContact CA-O 3.45Å; V695-A713 HydrophobicContact CG2-CB 4.27Å
696	V	87.6	Confident	70.2	Confident	1 Å²	1	73 Å²	73	1%	0.006	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	114.4	173.3	-179	0	0	0	0	109.2	F682 L684 V699 L708 G711 D712 V714	F682-V696 HydrophobicContact CB-CG1 4.48Å; F682-V696 HydrophobicContact CD2-CG1 4.39Å; F682-V696 HydrophobicContact CD2-CG2 4.44Å; L684-V696 HydrophobicContact CD2-CB 4.5Å; L684-V696 HydrophobicContact CD2-CG2 3.93Å; V696-V699 HydrophobicContact CG1-CG2 3.74Å; V696-L708 HydrophobicContact CG1-CD2 4.22Å; V696-L708 HydrophobicContact CG1-CG 4.36Å; V696-L708 HydrophobicContact CG2-CD1 4.02Å; V696-L708 HydrophobicContact CG2-CD2 4.03Å; V696-L708 HydrophobicContact CG2-CG 4.08Å; V696-G711 PolarHBondContact O-N 2.88Å; V696-D712 HydrophobicContact CB-CB 4.3Å; V696-D712 HydrophobicContact CG2-CB 4Å; V696-D712 PolarHBondContact N-O 3.41Å; V696-V714 HydrophobicContact CG2-CG2 4.35Å
697	E	81.3	Confident	70.1	Confident	66 Å²	66	72.9 Å²	72.9	31%	0.308	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-54	-178.4	-176.4	-130.6	155.7	0	0	110.3	S683 M685 V695	S683-E697 WeakPolarHBondContact CB-OE2 3.42Å; S683-E697 PolarHBondContact O-N 2.9Å; S683-E697 PolarHBondContact OG-OE2 3.04Å; M685-E697 HydrophobicContact CB-CB 3.99Å; M685-E697 HydrophobicContact CB-CG 4.3Å; M685-E697 HydrophobicContact CE-CG 4.46Å; M685-E697 HydrophobicContact CG-CB 3.89Å; M685-E697 HydrophobicContact CG-CG 4.31Å; M685-E697 HydrophobicContact SD-CB 3.73Å; M685-E697 HydrophobicContact SD-CG 3.63Å; V695-E697 PolarHBondContact O-N 2.92Å
698	R	77.3	Confident	71.2	Confident	140 Å²	140	72.7 Å²	72.7	53%	0.528	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	148.7	177.2	-82.1	177.8	-80.1	164.3	-3.1	111.2	F682 S683 F700	F682-R698 CarbonylContact C-O 3.52Å; F682-R698 VanDerWaalsContact CA-O 3.28Å; F682-R698 WeakPolarHBondContact CA-O 3.11Å; F682-R698 VanDerWaalsContact CB-O 3.29Å; F682-R698 WeakPolarHBondContact CB-O 3.46Å; S683-R698 PolarHBondContact N-O 2.73Å; S683-R698 PolarHBondContact OG-N 3.07Å; R698-F700 HydrophobicContact CB-CD1 4.29Å; R698-F700 HydrophobicContact CB-CE1 3.59Å; R698-F700 HydrophobicContact CB-CZ 3.93Å
699	V	83.9	Confident	72.2	Confident	18 Å²	18	75.6 Å²	75.6	11%	0.109	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	117.8	172.4	-177.3	0	0	0	0	108.3	F682 V696 R702 C705 L708	F682-V699 HydrophobicContact CB-CB 4.35Å; F682-V699 HydrophobicContact CB-CG1 4.43Å; F682-V699 HydrophobicContact CB-CG2 4.07Å; V696-V699 HydrophobicContact CG1-CG2 3.74Å; V699-R702 HydrophobicContact CG1-CG 4.09Å; V699-C705 HydrophobicContact CG1-CB 3.89Å; V699-L708 HydrophobicContact CG2-CB 4.37Å; V699-L708 HydrophobicContact CG2-CD2 4.19Å; V699-L708 HydrophobicContact CG2-CG 4.26Å
700	F	72.9	Confident	74	Confident	127 Å²	127	72.4 Å²	72.4	56%	0.557	37%	0.366	S	S	*	.	S	Bend	trans	-95.7	-45.8	-174.9	-43.9	-65.3	0	0	0	111.6	G681 S683 R698	G681-F700 WeakPolarHBondContact O-CA 3.35Å; G681-F700 PolarHBondContact O-N 3.05Å; S683-F700 WeakPolarHBondContact OG-CZ 3.06Å; R698-F700 HydrophobicContact CB-CD1 4.29Å; R698-F700 HydrophobicContact CB-CE1 3.59Å; R698-F700 HydrophobicContact CB-CZ 3.93Å
701	D	71.6	Confident	75	Confident	69 Å²	69	70.8 Å²	70.8	37%	0.369	35%	0.349	S	S	.	.			trans	-103	95.4	170.8	-164.6	-29.6	0	0	0	110.8	G681 K703 Q704 C705	G681-D701 PolarHBondContact O-N 3.38Å; D701-K703 VanDerWaalsContact C-N 3.3Å; D701-K703 PolarHBondContact O-N 3.02Å; D701-K703 WeakPolarHBondContact OD1-CA 3.26Å; D701-K703 VanDerWaalsContact OD1-CB 3.3Å; D701-K703 WeakPolarHBondContact OD1-CB 3.32Å; D701-K703 PolarHBondContact OD1-N 3.02Å; D701-Q704 HydrophobicContact CB-CB 4.38Å; D701-Q704 PolarHBondContact OD1-N 2.87Å; D701-Q704 VanDerWaalsContact OD1-N 3.16Å; D701-C705 PolarHBondContact O-N 3.38Å
702	R	70.4	Confident	76.5	Confident	179 Å²	179	68.8 Å²	68.8	68%	0.675	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-21.3	175.2	-66.3	-172.2	179.4	-156.9	-0.1	113.5	V699 Q704 C705 N706	V699-R702 HydrophobicContact CG1-CG 4.09Å; R702-Q704 VanDerWaalsContact C-N 3.34Å; R702-C705 CarbonylContact O-C 3.43Å; R702-C705 PolarHBondContact O-N 2.85Å; R702-N706 WeakPolarHBondContact O-CA 3.26Å; R702-N706 PolarHBondContact O-N 3.19Å; R702-N706 VanDerWaalsContact O-N 3.1Å; R702-N706 PolarHBondContact O-OD1 3.23Å; R702-N706 VanDerWaalsContact O-OD1 3.05Å
703	K	66	Low	77.8	Confident	177 Å²	177	60.5 Å²	60.5	77%	0.77	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-30.2	179.1	-60.8	179.5	178.7	177.6	0	111.7	D701 N706	D701-K703 VanDerWaalsContact C-N 3.3Å; D701-K703 PolarHBondContact O-N 3.02Å; D701-K703 WeakPolarHBondContact OD1-CA 3.26Å; D701-K703 VanDerWaalsContact OD1-CB 3.3Å; D701-K703 WeakPolarHBondContact OD1-CB 3.32Å; D701-K703 PolarHBondContact OD1-N 3.02Å; K703-N706 PolarHBondContact O-ND2 2.93Å
704	Q	66.4	Low	78.6	Confident	31 Å²	31	59.3 Å²	59.3	15%	0.145	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-30	172.3	-175.7	151	40	0	0	112.8	A672 D701 R702	A672-Q704 HydrophobicContact CB-CG 4.4Å; A672-Q704 PolarHBondContact N-O 3.08Å; A672-Q704 PolarHBondContact O-NE2 3.36Å; D701-Q704 HydrophobicContact CB-CB 4.38Å; D701-Q704 PolarHBondContact OD1-N 2.87Å; D701-Q704 VanDerWaalsContact OD1-N 3.16Å; R702-Q704 VanDerWaalsContact C-N 3.34Å
705	C	74.8	Confident	78.8	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.007	29%	0.293	C	S	.	.	S	Bend	trans	-121	45.6	-171.5	-50.2	0	0	0	0	112.5	L671 V699 D701 R702 S707 L708	L671-C705 HydrophobicContact CD2-CB 4.36Å; V699-C705 HydrophobicContact CG1-CB 3.89Å; D701-C705 PolarHBondContact O-N 3.38Å; R702-C705 CarbonylContact O-C 3.43Å; R702-C705 PolarHBondContact O-N 2.85Å; C705-S707 PolarHBondContact O-N 3.33Å; C705-L708 HydrophobicContact CB-CB 3.96Å; C705-L708 HydrophobicContact CB-CD2 4.34Å; C705-L708 PolarHBondContact O-N 2.97Å
706	N	66.7	Low	78.7	Confident	132 Å²	132	62.1 Å²	62.1	71%	0.706	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-25.8	-164.8	-65.4	-74.4	0	0	0	116	R702 K703	R702-N706 WeakPolarHBondContact O-CA 3.26Å; R702-N706 PolarHBondContact O-N 3.19Å; R702-N706 VanDerWaalsContact O-N 3.1Å; R702-N706 PolarHBondContact O-OD1 3.23Å; R702-N706 VanDerWaalsContact O-OD1 3.05Å; K703-N706 PolarHBondContact O-ND2 2.93Å
707	S	76.8	Confident	78.7	Confident	53 Å²	53	62.2 Å²	62.2	37%	0.371	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	9	-180	57.9	0	0	0	0	114.7	C705 R749	C705-S707 PolarHBondContact O-N 3.33Å; S707-R749 PolarHBondContact O-NH1 2.67Å; S707-R749 PolarHBondContact O-NH2 3.33Å
708	L	86.2	Confident	78.8	Confident	12 Å²	12	62.4 Å²	62.4	6%	0.063	31%	0.307	C	S	.	.			trans	-89.4	141.5	175.9	-162	67.2	0	0	0	111.3	V669 F682 V696 V699 C705 D712 L745 V747	V669-L708 HydrophobicContact CB-CD1 4.41Å; V669-L708 HydrophobicContact CG1-CB 4Å; V669-L708 HydrophobicContact CG1-CD1 3.97Å; V669-L708 HydrophobicContact CG2-CD1 4.41Å; F682-L708 HydrophobicContact CB-CD2 4.22Å; F682-L708 HydrophobicContact CD1-CD2 3.67Å; F682-L708 HydrophobicContact CD2-CD2 3.87Å; F682-L708 HydrophobicContact CE1-CD2 3.92Å; F682-L708 HydrophobicContact CE2-CD2 4.1Å; F682-L708 HydrophobicContact CG-CD2 3.65Å; F682-L708 HydrophobicContact CZ-CD2 4.13Å; V696-L708 HydrophobicContact CG1-CD2 4.22Å; V696-L708 HydrophobicContact CG1-CG 4.36Å; V696-L708 HydrophobicContact CG2-CD1 4.02Å; V696-L708 HydrophobicContact CG2-CD2 4.03Å; V696-L708 HydrophobicContact CG2-CG 4.08Å; V699-L708 HydrophobicContact CG2-CB 4.37Å; V699-L708 HydrophobicContact CG2-CD2 4.19Å; V699-L708 HydrophobicContact CG2-CG 4.26Å; C705-L708 HydrophobicContact CB-CB 3.96Å; C705-L708 HydrophobicContact CB-CD2 4.34Å; C705-L708 PolarHBondContact O-N 2.97Å; L708-D712 HydrophobicContact CD1-CB 4.48Å; L708-L745 HydrophobicContact CD1-CD1 4.03Å; L708-L745 HydrophobicContact CD2-CD1 4.49Å; L708-V747 HydrophobicContact CD1-CG1 4.04Å
709	Q	82.6	Confident	78.5	Confident	101 Å²	101	58.5 Å²	58.5	47%	0.472	31%	0.31	S	S	.	.			trans	-128.5	141	-176.2	-61.2	-172.5	-4.3	0	0	111.9	G711 D712	Q709-G711 PolarHBondContact O-N 2.8Å; Q709-D712 PolarHBondContact N-OD2 2.97Å; Q709-D712 VanDerWaalsContact O-CB 3.26Å; Q709-D712 WeakPolarHBondContact O-CB 3.26Å; Q709-D712 VanDerWaalsContact O-CG 3.23Å; Q709-D712 PolarHBondContact O-N 3.34Å; Q709-D712 VanDerWaalsContact O-N 3.11Å
710	P	83.3	Confident	78.1	Confident	72 Å²	72	60.5 Å²	60.5	47%	0.468	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	132.2	165.8	-25.8	36.3	0	0	0	111.3
711	G	77.7	Confident	78.5	Confident	39 Å²	39	58.5 Å²	58.5	40%	0.402	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.1	-9.1	-173.3	0	0	0	0	0	115.3	V696 Q709 A713	V696-G711 PolarHBondContact O-N 2.88Å; Q709-G711 PolarHBondContact O-N 2.8Å; G711-A713 PolarHBondContact O-N 3.32Å
712	D	86.7	Confident	78.9	Confident	3 Å²	3	55.3 Å²	55.3	2%	0.016	31%	0.307	C	S	.	.			trans	-62.4	125.8	171.5	-80.1	-26.4	0	0	0	111	V695 V696 L708 Q709 V747 R749	V695-D712 CarbonylContact C-O 3.55Å; V695-D712 WeakPolarHBondContact CA-O 3.45Å; V696-D712 HydrophobicContact CB-CB 4.3Å; V696-D712 HydrophobicContact CG2-CB 4Å; V696-D712 PolarHBondContact N-O 3.41Å; L708-D712 HydrophobicContact CD1-CB 4.48Å; Q709-D712 PolarHBondContact N-OD2 2.97Å; Q709-D712 VanDerWaalsContact O-CB 3.26Å; Q709-D712 WeakPolarHBondContact O-CB 3.26Å; Q709-D712 VanDerWaalsContact O-CG 3.23Å; Q709-D712 PolarHBondContact O-N 3.34Å; Q709-D712 VanDerWaalsContact O-N 3.11Å; D712-V747 HydrophobicContact CB-CB 3.99Å; D712-V747 HydrophobicContact CB-CG1 4.28Å; D712-V747 HydrophobicContact CB-CG2 4.15Å; D712-R749 IonicContact OD1-CZ 3.48Å; D712-R749 IonicContact OD1-NE 3.08Å; D712-R749 PolarHBondContact OD1-NE 3.14Å; D712-R749 IonicContact OD1-NH2 3.7Å; D712-R749 PolarHBondContact OD1-NH2 2.93Å; D712-R749 IonicContact OD2-CZ 3.62Å; D712-R749 IonicContact OD2-NE 2.77Å; D712-R749 IonicContact OD2-NH2 3.32Å; D712-R749 PolarHBondContact OD2-NH2 2.62Å
713	A	85.8	Confident	79.1	Confident	4 Å²	4	50.1 Å²	50.1	3%	0.033	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	125.6	172.7	0	0	0	0	0	110.6	V695 G711 V715 V747 Y748	V695-A713 HydrophobicContact CG2-CB 4.27Å; G711-A713 PolarHBondContact O-N 3.32Å; A713-V715 PolarHBondContact O-N 2.97Å; A713-V747 CarbonylContact O-C 3.59Å; A713-V747 VanDerWaalsContact O-CA 3.26Å; A713-V747 WeakPolarHBondContact O-CA 3.47Å; A713-Y748 PolarHBondContact N-O 3.25Å; A713-Y748 PolarHBondContact O-N 3.35Å
714	V	85.6	Confident	79.3	Confident	3 Å²	3	45.6 Å²	45.6	2%	0.018	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	115.6	-179	-174.4	0	0	0	0	109.4	L684 T694 V696 I717 V722	L684-V714 HydrophobicContact CD2-CG2 3.96Å; T694-V714 PolarHBondContact O-N 3.13Å; V696-V714 HydrophobicContact CG2-CG2 4.35Å; V714-I717 HydrophobicContact CG1-CD1 4.47Å; V714-I717 HydrophobicContact CG1-CG1 4.13Å; V714-V722 HydrophobicContact CG1-CG2 3.95Å
715	V	84.2	Confident	79.7	Confident	10 Å²	10	46.6 Å²	46.6	6%	0.061	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	-48	-178.9	179.3	0	0	0	0	111.1	L666 A713 V722 Q723 L746	L666-V715 HydrophobicContact CD2-CB 4.21Å; L666-V715 HydrophobicContact CD2-CG1 4.29Å; L666-V715 HydrophobicContact CD2-CG2 3.9Å; A713-V715 PolarHBondContact O-N 2.97Å; V715-V722 PolarHBondContact O-N 2.84Å; V715-Q723 HydrophobicContact CG1-CG 4.27Å; V715-L746 WeakPolarHBondContact CA-O 3.31Å; V715-L746 WeakPolarHBondContact CB-O 3.48Å; V715-L746 PolarHBondContact N-O 3.31Å
716	K	85.5	Confident	79.9	Confident	67 Å²	67	49.1 Å²	49.1	29%	0.291	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	153.6	178.5	-50.8	-148.2	172.8	-165.8	0	112.6	G719 A720 D721 L745 L746	K716-G719 WeakPolarHBondContact CD-O 3.47Å; K716-A720 CarbonylContact C-O 3.58Å; K716-A720 WeakPolarHBondContact CA-O 3.48Å; K716-A720 WeakPolarHBondContact CB-O 3.46Å; K716-D721 HydrophobicContact CD-CB 4.48Å; K716-L745 CarbonylContact O-C 3.57Å; K716-L745 WeakPolarHBondContact O-CA 3.37Å; K716-L746 HydrophobicContact CB-CB 3.82Å; K716-L746 HydrophobicContact CG-CB 4.25Å; K716-L746 HydrophobicContact CG-CD2 4.2Å; K716-L746 PolarHBondContact N-O 2.89Å; K716-L746 PolarHBondContact O-N 2.69Å
717	I	87.1	Confident	80.4	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	122.8	169.3	-59.2	171.5	0	0	0	107	V714 G719 A720 V722 I730 I733 L734 V743 L745	V714-I717 HydrophobicContact CG1-CD1 4.47Å; V714-I717 HydrophobicContact CG1-CG1 4.13Å; I717-G719 PolarHBondContact O-N 3.05Å; I717-A720 PolarHBondContact N-O 3.24Å; I717-A720 WeakPolarHBondContact O-CB 3.28Å; I717-A720 PolarHBondContact O-N 2.84Å; I717-V722 HydrophobicContact CB-CG1 4.4Å; I717-V722 HydrophobicContact CD1-CG1 4.13Å; I717-V722 HydrophobicContact CD1-CG2 4.26Å; I717-V722 HydrophobicContact CG1-CG1 4.21Å; I717-V722 HydrophobicContact CG1-CG2 4.2Å; I717-I730 HydrophobicContact CD1-CG2 4.01Å; I717-I733 HydrophobicContact CB-CG2 4.49Å; I717-I733 HydrophobicContact CD1-CG2 4.06Å; I717-I733 HydrophobicContact CG2-CG2 4.26Å; I717-L734 HydrophobicContact CD1-CD1 4.37Å; I717-L734 HydrophobicContact CD1-CD2 3.52Å; I717-L734 HydrophobicContact CD1-CG 3.65Å; I717-L734 HydrophobicContact CG1-CD2 3.98Å; I717-L734 HydrophobicContact CG2-CD2 4.02Å; I717-V743 HydrophobicContact CG2-CG1 3.88Å; I717-L745 HydrophobicContact CG1-CD2 3.99Å; I717-L745 HydrophobicContact CG2-CD2 4.39Å
718	N	82.4	Confident	80.3	Confident	71 Å²	71	47 Å²	47	38%	0.38	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	33.1	-178.6	-65.5	-14.6	0	0	0	113.8	A720 V743 I744	N718-A720 VanDerWaalsContact C-N 3.34Å; N718-A720 PolarHBondContact O-N 3.17Å; N718-V743 WeakPolarHBondContact OD1-CA 3.43Å; N718-I744 PolarHBondContact N-O 3.4Å; N718-I744 PolarHBondContact OD1-N 3.46Å
719	G	71.1	Confident	79.8	Confident	57 Å²	57	50.8 Å²	50.8	59%	0.588	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.3	-13.8	-178.5	0	0	0	0	0	116	K716 I717	K716-G719 WeakPolarHBondContact CD-O 3.47Å; I717-G719 PolarHBondContact O-N 3.05Å
720	A	77.4	Confident	79.7	Confident	60 Å²	60	46.1 Å²	46.1	50%	0.496	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	134.6	172.5	0	0	0	0	0	110.9	K716 I717 N718	K716-A720 CarbonylContact C-O 3.58Å; K716-A720 WeakPolarHBondContact CA-O 3.48Å; K716-A720 WeakPolarHBondContact CB-O 3.46Å; I717-A720 PolarHBondContact N-O 3.24Å; I717-A720 WeakPolarHBondContact O-CB 3.28Å; I717-A720 PolarHBondContact O-N 2.84Å; N718-A720 VanDerWaalsContact C-N 3.34Å; N718-A720 PolarHBondContact O-N 3.17Å
721	D	79.4	Confident	79.5	Confident	86 Å²	86	46.1 Å²	46.1	46%	0.46	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	133.6	175.5	-164.1	-31.1	0	0	0	110.5	K716 Q723	K716-D721 HydrophobicContact CD-CB 4.48Å; D721-Q723 PolarHBondContact OD1-N 2.78Å
722	V	80.7	Confident	79.4	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.012	29%	0.287	C	S	.	.			trans	-124.9	3.8	-176.8	-58.2	0	0	0	0	114.1	V714 V715 I717 S724 L725 I730	V714-V722 HydrophobicContact CG1-CG2 3.95Å; V715-V722 PolarHBondContact O-N 2.84Å; I717-V722 HydrophobicContact CB-CG1 4.4Å; I717-V722 HydrophobicContact CD1-CG1 4.13Å; I717-V722 HydrophobicContact CD1-CG2 4.26Å; I717-V722 HydrophobicContact CG1-CG1 4.21Å; I717-V722 HydrophobicContact CG1-CG2 4.2Å; V722-S724 PolarHBondContact O-N 3.2Å; V722-L725 HydrophobicContact CB-CD1 4.06Å; V722-L725 HydrophobicContact CB-CG 4.49Å; V722-L725 HydrophobicContact CG1-CD1 3.94Å; V722-L725 PolarHBondContact O-N 2.91Å; V722-I730 HydrophobicContact CB-CD1 4.29Å; V722-I730 HydrophobicContact CB-CG1 4.14Å; V722-I730 HydrophobicContact CG2-CD1 4.33Å; V722-I730 HydrophobicContact CG2-CG1 4.44Å
723	Q	75.8	Confident	79.2	Confident	70 Å²	70	50.3 Å²	50.3	33%	0.327	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-10.9	179.8	-64.3	-165.6	7.6	0	0	114.4	V715 D721	V715-Q723 HydrophobicContact CG1-CG 4.27Å; D721-Q723 PolarHBondContact OD1-N 2.78Å
724	S	69.5	Low	78.8	Confident	82 Å²	82	50.1 Å²	50.1	57%	0.573	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-7.2	176.8	59.9	0	0	0	0	114	V722	V722-S724 PolarHBondContact O-N 3.2Å
725	L	75.5	Confident	78.3	Confident	52 Å²	52	54.4 Å²	54.4	27%	0.272	32%	0.316	S	S	.	.	S	Bend	trans	-95.9	153.1	-173.3	-58.1	-177.4	0	0	0	112.2	V722 Q729 I730 I733	V722-L725 HydrophobicContact CB-CD1 4.06Å; V722-L725 HydrophobicContact CB-CG 4.49Å; V722-L725 HydrophobicContact CG1-CD1 3.94Å; V722-L725 PolarHBondContact O-N 2.91Å; L725-Q729 HydrophobicContact CB-CB 4.36Å; L725-I730 HydrophobicContact CB-CD1 4.13Å; L725-I730 HydrophobicContact CB-CG1 3.86Å; L725-I733 HydrophobicContact CD1-CD1 3.51Å
726	S	77.4	Confident	77.8	Confident	54 Å²	54	59.5 Å²	59.5	38%	0.378	34%	0.339	S	S	.	.			trans	-75.7	157.6	174.9	64.6	0	0	0	0	112.5	T728 Q729 I730	S726-T728 VanDerWaalsContact C-N 3.26Å; S726-T728 PolarHBondContact O-N 2.87Å; S726-T728 PolarHBondContact OG-OG1 3.39Å; S726-Q729 WeakPolarHBondContact O-CB 3.47Å; S726-Q729 PolarHBondContact O-N 3.29Å; S726-Q729 VanDerWaalsContact O-N 3.09Å; S726-Q729 VanDerWaalsContact OG-CD 3.23Å; S726-Q729 WeakPolarHBondContact OG-CG 3.42Å; S726-Q729 PolarHBondContact OG-OE1 2.79Å; S726-I730 PolarHBondContact O-N 3.29Å
727	L	77.3	Confident	77.1	Confident	50 Å²	50	59 Å²	59	26%	0.262	34%	0.337	S	S	.	.	H	α-helix	trans	-49.6	-45.4	-179.4	-167.3	83.3	0	0	0	113.1	L684 T694 I730 Q731	L684-L727 HydrophobicContact CB-CD1 3.87Å; T694-L727 HydrophobicContact CG2-CD1 3.73Å; L727-I730 PolarHBondContact O-N 2.8Å; L727-Q731 WeakPolarHBondContact O-CG 3.42Å; L727-Q731 PolarHBondContact O-N 3.44Å
728	T	75.2	Confident	76.3	Confident	89 Å²	89	59.3 Å²	59.3	55%	0.546	34%	0.339	S	S	.	.	H	α-helix	trans	-69.1	-38.8	-178.2	47.8	0	0	0	0	112	S726 Q731 T732	S726-T728 VanDerWaalsContact C-N 3.26Å; S726-T728 PolarHBondContact O-N 2.87Å; S726-T728 PolarHBondContact OG-OG1 3.39Å; T728-Q731 PolarHBondContact O-N 3.25Å; T728-T732 PolarHBondContact O-N 2.94Å; T728-T732 PolarHBondContact O-OG1 3.5Å
729	Q	76	Confident	75.4	Confident	93 Å²	93	62 Å²	62	44%	0.435	35%	0.347	S	S	.	.	H	α-helix	trans	-63.4	-43.9	173.6	-70.6	166.9	-47.1	0	0	111.1	L725 S726 Q731 T732 I733	L725-Q729 HydrophobicContact CB-CB 4.36Å; S726-Q729 WeakPolarHBondContact O-CB 3.47Å; S726-Q729 PolarHBondContact O-N 3.29Å; S726-Q729 VanDerWaalsContact O-N 3.09Å; S726-Q729 VanDerWaalsContact OG-CD 3.23Å; S726-Q729 WeakPolarHBondContact OG-CG 3.42Å; S726-Q729 PolarHBondContact OG-OE1 2.79Å; Q729-Q731 PolarHBondContact O-N 3.43Å; Q729-T732 WeakPolarHBondContact CA-OG1 3.39Å; Q729-T732 PolarHBondContact O-N 2.9Å; Q729-T732 PolarHBondContact O-OG1 2.98Å; Q729-I733 WeakPolarHBondContact O-CB 3.49Å; Q729-I733 WeakPolarHBondContact O-CD1 3.16Å; Q729-I733 VanDerWaalsContact O-CG1 3.26Å; Q729-I733 WeakPolarHBondContact O-CG1 3.22Å; Q729-I733 PolarHBondContact O-N 3.16Å
730	I	81	Confident	74.7	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.01	35%	0.347	C	S	.	.	H	α-helix	trans	-62.3	-42.4	176.4	-69.4	167.6	0	0	0	111	L684 T694 I717 V722 L725 S726 L727 I733 L734	L684-I730 HydrophobicContact CD1-CG2 3.85Å; T694-I730 HydrophobicContact CG2-CD1 4.17Å; T694-I730 HydrophobicContact CG2-CG2 4.18Å; T694-I730 VanDerWaalsContact OG1-CD1 3.31Å; T694-I730 WeakPolarHBondContact OG1-CD1 3.38Å; I717-I730 HydrophobicContact CD1-CG2 4.01Å; V722-I730 HydrophobicContact CB-CD1 4.29Å; V722-I730 HydrophobicContact CB-CG1 4.14Å; V722-I730 HydrophobicContact CG2-CD1 4.33Å; V722-I730 HydrophobicContact CG2-CG1 4.44Å; L725-I730 HydrophobicContact CB-CD1 4.13Å; L725-I730 HydrophobicContact CB-CG1 3.86Å; S726-I730 PolarHBondContact O-N 3.29Å; L727-I730 PolarHBondContact O-N 2.8Å; I730-I733 PolarHBondContact O-N 2.84Å; I730-L734 HydrophobicContact CG2-CD1 4.15Å; I730-L734 VanDerWaalsContact O-CG 3.32Å; I730-L734 WeakPolarHBondContact O-CG 3.3Å; I730-L734 PolarHBondContact O-N 2.94Å
731	Q	78	Confident	74	Confident	72 Å²	72	63.3 Å²	63.3	34%	0.336	33%	0.334	S	S	.	.	H	α-helix	trans	-61.8	-43.7	174.2	-74.6	171.4	-8.9	0	0	112.3	L684 L727 T728 Q729 L734 Q735	L684-Q731 HydrophobicContact CD1-CG 4.36Å; L727-Q731 WeakPolarHBondContact O-CG 3.42Å; L727-Q731 PolarHBondContact O-N 3.44Å; T728-Q731 PolarHBondContact O-N 3.25Å; Q729-Q731 PolarHBondContact O-N 3.43Å; Q731-L734 PolarHBondContact O-N 3.26Å; Q731-Q735 WeakPolarHBondContact O-CB 3.14Å; Q731-Q735 PolarHBondContact O-N 3.21Å
732	T	76.4	Confident	73.2	Confident	85 Å²	85	65.6 Å²	65.6	52%	0.521	34%	0.342	S	S	.	.	H	α-helix	trans	-64.4	-40.2	175.4	48.6	0	0	0	0	112.8	T728 Q729 Q735 E736	T728-T732 PolarHBondContact O-N 2.94Å; T728-T732 PolarHBondContact O-OG1 3.5Å; Q729-T732 WeakPolarHBondContact CA-OG1 3.39Å; Q729-T732 PolarHBondContact O-N 2.9Å; Q729-T732 PolarHBondContact O-OG1 2.98Å; T732-Q735 PolarHBondContact O-N 3.28Å; T732-E736 WeakPolarHBondContact O-CB 3.23Å; T732-E736 PolarHBondContact O-N 3.33Å
733	I	81.5	Confident	73.2	Confident	46 Å²	46	65.5 Å²	65.5	24%	0.236	34%	0.341	C	S	.	.	H	α-helix	trans	-65	-42.3	178.2	-72.4	164.7	0	0	0	110.9	I717 L725 Q729 I730 H737	I717-I733 HydrophobicContact CB-CG2 4.49Å; I717-I733 HydrophobicContact CD1-CG2 4.06Å; I717-I733 HydrophobicContact CG2-CG2 4.26Å; L725-I733 HydrophobicContact CD1-CD1 3.51Å; Q729-I733 WeakPolarHBondContact O-CB 3.49Å; Q729-I733 WeakPolarHBondContact O-CD1 3.16Å; Q729-I733 VanDerWaalsContact O-CG1 3.26Å; Q729-I733 WeakPolarHBondContact O-CG1 3.22Å; Q729-I733 PolarHBondContact O-N 3.16Å; I730-I733 PolarHBondContact O-N 2.84Å; I733-H737 WeakPolarHBondContact O-CB 3.19Å; I733-H737 PolarHBondContact O-CD2 3.06Å; I733-H737 VanDerWaalsContact O-CD2 3.32Å; I733-H737 PolarHBondContact O-N 3.29Å
734	L	78.4	Confident	73.5	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-62.5	-47.7	173.7	-71.9	171.6	0	0	0	111.6	L680 F682 L684 I717 I730 Q731 E736 H737 T738 V743 L745	L680-L734 HydrophobicContact CD1-CB 3.62Å; L680-L734 HydrophobicContact CD1-CD1 4.13Å; L680-L734 HydrophobicContact CD2-CB 4.02Å; F682-L734 HydrophobicContact CE2-CD1 4.24Å; F682-L734 HydrophobicContact CZ-CD1 4.08Å; L684-L734 HydrophobicContact CD1-CD1 3.61Å; I717-L734 HydrophobicContact CD1-CD1 4.37Å; I717-L734 HydrophobicContact CD1-CD2 3.52Å; I717-L734 HydrophobicContact CD1-CG 3.65Å; I717-L734 HydrophobicContact CG1-CD2 3.98Å; I717-L734 HydrophobicContact CG2-CD2 4.02Å; I730-L734 HydrophobicContact CG2-CD1 4.15Å; I730-L734 VanDerWaalsContact O-CG 3.32Å; I730-L734 WeakPolarHBondContact O-CG 3.3Å; I730-L734 PolarHBondContact O-N 2.94Å; Q731-L734 PolarHBondContact O-N 3.26Å; L734-E736 VanDerWaalsContact C-N 3.31Å; L734-E736 PolarHBondContact O-N 2.92Å; L734-H737 PolarHBondContact O-N 3.28Å; L734-T738 WeakPolarHBondContact O-CG2 3.37Å; L734-T738 PolarHBondContact O-N 2.79Å; L734-T738 PolarHBondContact O-OG1 3.24Å; L734-V743 HydrophobicContact CD2-CG1 4.25Å; L734-L745 HydrophobicContact CD2-CD2 3.47Å; L734-L745 VanDerWaalsContact CD2-CD2 3.47Å
735	Q	74.4	Confident	74.4	Confident	93 Å²	93	62.4 Å²	62.4	44%	0.435	32%	0.319	S	S	.	.	H	α-helix	trans	-70.1	-26.1	-177.2	-165.3	176.6	24.2	0	0	113.3	Q731 T732 K739	Q731-Q735 WeakPolarHBondContact O-CB 3.14Å; Q731-Q735 PolarHBondContact O-N 3.21Å; T732-Q735 PolarHBondContact O-N 3.28Å; Q735-K739 WeakPolarHBondContact O-CD 3.44Å; Q735-K739 VanDerWaalsContact O-CG 3.31Å; Q735-K739 WeakPolarHBondContact O-CG 3.34Å
736	E	72.8	Confident	74.9	Confident	117 Å²	117	62.1 Å²	62.1	55%	0.547	32%	0.318	S	S	.	.	H	α-helix	trans	-74	-47.9	169.5	179.4	164.9	-167.3	0	0	111.1	T732 L734 K739 Q740	T732-E736 WeakPolarHBondContact O-CB 3.23Å; T732-E736 PolarHBondContact O-N 3.33Å; L734-E736 VanDerWaalsContact C-N 3.31Å; L734-E736 PolarHBondContact O-N 2.92Å; E736-K739 PolarHBondContact O-N 2.91Å; E736-Q740 VanDerWaalsContact CG-NE2 3.25Å; E736-Q740 WeakPolarHBondContact O-CG 3.1Å; E736-Q740 PolarHBondContact O-N 2.89Å; E736-Q740 PolarHBondContact OE1-NE2 2.87Å; E736-Q740 VanDerWaalsContact OE1-NE2 3.17Å
737	H	72.2	Confident	75.4	Confident	55 Å²	55	59.6 Å²	59.6	26%	0.255	30%	0.3	S	S	.	.	H	α-helix	trans	-71.5	-33.5	-177.4	-73.6	-43.7	0	0	0	114.2	I733 L734 K739 Q740 G741 V743	I733-H737 WeakPolarHBondContact O-CB 3.19Å; I733-H737 PolarHBondContact O-CD2 3.06Å; I733-H737 VanDerWaalsContact O-CD2 3.32Å; I733-H737 PolarHBondContact O-N 3.29Å; L734-H737 PolarHBondContact O-N 3.28Å; H737-K739 PolarHBondContact O-N 2.9Å; H737-Q740 PolarHBondContact ND1-OE1 2.9Å; H737-Q740 VanDerWaalsContact ND1-OE1 3.08Å; H737-Q740 WeakPolarHBondContact O-CA 3.31Å; H737-Q740 PolarHBondContact O-N 3.3Å; H737-G741 PolarHBondContact O-N 2.86Å; H737-G741 VanDerWaalsContact O-N 3.11Å; H737-V743 HydrophobicContact CB-CG2 3.74Å; H737-V743 WeakPolarHBondContact O-CG2 3.35Å
738	T	70.2	Confident	75.7	Confident	10 Å²	10	59.7 Å²	59.7	6%	0.061	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-17.2	174.4	61.9	0	0	0	0	112.9	L671 T674 L680 L734 V743	L671-T738 HydrophobicContact CD1-CG2 4.37Å; T674-T738 WeakPolarHBondContact OG1-CB 3.14Å; T674-T738 PolarHBondContact OG1-O 2.83Å; T674-T738 PolarHBondContact OG1-OG1 2.91Å; L680-T738 HydrophobicContact CD2-CG2 3.74Å; L734-T738 WeakPolarHBondContact O-CG2 3.37Å; L734-T738 PolarHBondContact O-N 2.79Å; L734-T738 PolarHBondContact O-OG1 3.24Å; T738-V743 HydrophobicContact CG2-CB 4.24Å; T738-V743 HydrophobicContact CG2-CG2 3.62Å
739	K	64	Low	76	Confident	126 Å²	126	58.1 Å²	58.1	55%	0.548	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-6.2	169.4	-67.5	-179.5	178.2	-165.6	0	113	D677 Q735 E736 H737	D677-K739 IonicContact OD1-NZ 2.74Å; D677-K739 PolarHBondContact OD1-NZ 3.48Å; Q735-K739 WeakPolarHBondContact O-CD 3.44Å; Q735-K739 VanDerWaalsContact O-CG 3.31Å; Q735-K739 WeakPolarHBondContact O-CG 3.34Å; E736-K739 PolarHBondContact O-N 2.91Å; H737-K739 PolarHBondContact O-N 2.9Å
740	Q	54.6	Low	75.3	Confident	125 Å²	125	55.6 Å²	55.6	58%	0.584	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	-20	-177	-69.4	171.8	0.7	0	0	114.2	E736 H737	E736-Q740 VanDerWaalsContact CG-NE2 3.25Å; E736-Q740 WeakPolarHBondContact O-CG 3.1Å; E736-Q740 PolarHBondContact O-N 2.89Å; E736-Q740 PolarHBondContact OE1-NE2 2.87Å; E736-Q740 VanDerWaalsContact OE1-NE2 3.17Å; H737-Q740 PolarHBondContact ND1-OE1 2.9Å; H737-Q740 VanDerWaalsContact ND1-OE1 3.08Å; H737-Q740 WeakPolarHBondContact O-CA 3.31Å; H737-Q740 PolarHBondContact O-N 3.3Å
741	G	63	Low	73.7	Confident	21 Å²	21	59.1 Å²	59.1	22%	0.216	32%	0.317	C	S	.	.	S	Bend	trans	169.1	-159.6	176.7	0	0	0	0	0	114.1	H737	H737-G741 PolarHBondContact O-N 2.86Å; H737-G741 VanDerWaalsContact O-N 3.11Å
742	E	62.4	Low	71.6	Confident	134 Å²	134	60.9 Å²	60.9	63%	0.626	33%	0.333	S	S	*	.			trans	-64.3	138.3	165.1	-67.4	-171.7	135.7	0	0	109.8	Q673	Q673-E742 HydrophobicContact CG-CG 4.35Å
743	V	81.4	Confident	69.7	Low	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	122.4	179.2	-179.7	0	0	0	0	109.3	A670 L671 I717 N718 L734 H737 T738 L745	A670-V743 WeakPolarHBondContact CA-O 3.38Å; L671-V743 HydrophobicContact CB-CB 4.34Å; L671-V743 HydrophobicContact CD1-CB 4.22Å; L671-V743 HydrophobicContact CD1-CG1 4.21Å; L671-V743 PolarHBondContact N-O 3.23Å; I717-V743 HydrophobicContact CG2-CG1 3.88Å; N718-V743 WeakPolarHBondContact OD1-CA 3.43Å; L734-V743 HydrophobicContact CD2-CG1 4.25Å; H737-V743 HydrophobicContact CB-CG2 3.74Å; H737-V743 WeakPolarHBondContact O-CG2 3.35Å; T738-V743 HydrophobicContact CG2-CB 4.24Å; T738-V743 HydrophobicContact CG2-CG2 3.62Å; V743-L745 HydrophobicContact CG1-CD2 3.99Å
744	I	82.3	Confident	67.1	Low	86 Å²	86	68.5 Å²	68.5	44%	0.441	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	110.7	178.2	-54.6	178.6	0	0	0	108.3	P668 A670 N718	P668-I744 HydrophobicContact CB-CG2 4.27Å; A670-I744 HydrophobicContact CB-CG1 4.47Å; N718-I744 PolarHBondContact N-O 3.4Å; N718-I744 PolarHBondContact OD1-N 3.46Å
745	L	87.9	Confident	64.6	Low	0 Å²	0	74 Å²	74	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	140.4	168.2	-47.2	-175.8	0	0	0	108.7	P668 V669 L671 F682 L708 K716 I717 L734 V743 V747	P668-L745 CarbonylContact C-O 3.58Å; P668-L745 WeakPolarHBondContact CA-O 3.38Å; V669-L745 HydrophobicContact CB-CB 4.42Å; V669-L745 PolarHBondContact N-O 2.84Å; V669-L745 PolarHBondContact O-N 3.4Å; L671-L745 HydrophobicContact CD1-CD1 4.14Å; L671-L745 HydrophobicContact CD1-CD2 4.17Å; L671-L745 HydrophobicContact CD1-CG 4.16Å; L671-L745 HydrophobicContact CD2-CD1 4.16Å; L671-L745 HydrophobicContact CG-CD1 4.29Å; L671-L745 HydrophobicContact CG-CG 4.21Å; F682-L745 HydrophobicContact CZ-CD1 4.15Å; L708-L745 HydrophobicContact CD1-CD1 4.03Å; L708-L745 HydrophobicContact CD2-CD1 4.49Å; K716-L745 CarbonylContact O-C 3.57Å; K716-L745 WeakPolarHBondContact O-CA 3.37Å; I717-L745 HydrophobicContact CG1-CD2 3.99Å; I717-L745 HydrophobicContact CG2-CD2 4.39Å; L734-L745 HydrophobicContact CD2-CD2 3.47Å; L734-L745 VanDerWaalsContact CD2-CD2 3.47Å; V743-L745 HydrophobicContact CG1-CD2 3.99Å; L745-V747 HydrophobicContact CB-CG1 3.99Å; L745-V747 HydrophobicContact CD1-CG1 4.48Å
746	L	85.6	Confident	62.4	Low	47 Å²	47	75.3 Å²	75.3	25%	0.246	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	113.1	157.9	-165.2	70.1	0	0	0	106.9	L666 P668 V715 K716	L666-L746 HydrophobicContact CB-CD1 4.16Å; L666-L746 HydrophobicContact CB-CD2 4.25Å; L666-L746 HydrophobicContact CB-CG 4.16Å; L666-L746 HydrophobicContact CD1-CD2 4.29Å; L666-L746 HydrophobicContact CD2-CD2 4.18Å; L666-L746 HydrophobicContact CD2-CG 4.19Å; L666-L746 HydrophobicContact CG-CD2 4.48Å; P668-L746 HydrophobicContact CB-CD1 4.3Å; V715-L746 WeakPolarHBondContact CA-O 3.31Å; V715-L746 WeakPolarHBondContact CB-O 3.48Å; V715-L746 PolarHBondContact N-O 3.31Å; K716-L746 HydrophobicContact CB-CB 3.82Å; K716-L746 HydrophobicContact CG-CB 4.25Å; K716-L746 HydrophobicContact CG-CD2 4.2Å; K716-L746 PolarHBondContact N-O 2.89Å; K716-L746 PolarHBondContact O-N 2.69Å
747	V	89.6	Confident	60.2	Low	0 Å²	0	75.7 Å²	75.7	0%	0	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	144.1	-179.8	-59.5	0	0	0	0	110.9	L666 V667 V669 L708 D712 A713 L745	L666-V747 CarbonylContact C-O 3.59Å; L666-V747 WeakPolarHBondContact CA-O 3.38Å; V667-V747 HydrophobicContact CB-CG2 4.25Å; V667-V747 PolarHBondContact N-O 3.25Å; V667-V747 WeakPolarHBondContact O-CG2 3.49Å; V667-V747 PolarHBondContact O-N 3.47Å; V669-V747 HydrophobicContact CG2-CG2 3.83Å; L708-V747 HydrophobicContact CD1-CG1 4.04Å; D712-V747 HydrophobicContact CB-CB 3.99Å; D712-V747 HydrophobicContact CB-CG1 4.28Å; D712-V747 HydrophobicContact CB-CG2 4.15Å; A713-V747 CarbonylContact O-C 3.59Å; A713-V747 VanDerWaalsContact O-CA 3.26Å; A713-V747 WeakPolarHBondContact O-CA 3.47Å; L745-V747 HydrophobicContact CB-CG1 3.99Å; L745-V747 HydrophobicContact CD1-CG1 4.48Å
748	Y	83.6	Confident	57.9	Low	52 Å²	52	78.2 Å²	78.2	20%	0.204	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	111	172.6	-168.5	-105.5	0	0	0	108.8	F661 G663 G664 E665 L666 A713	F661-Y748 HydrophobicContact CB-CE1 4.46Å; G663-Y748 PolarHBondContact N-OH 2.89Å; G664-Y748 VanDerWaalsContact CA-CZ 3.44Å; G664-Y748 VanDerWaalsContact N-CZ 3.33Å; G664-Y748 PolarHBondContact N-OH 3.13Å; G664-Y748 VanDerWaalsContact O-CE2 3.22Å; G664-Y748 WeakPolarHBondContact O-CE2 3.43Å; E665-Y748 WeakPolarHBondContact O-CA 3.29Å; L666-Y748 HydrophobicContact CD2-CD2 3.86Å; L666-Y748 HydrophobicContact CG-CD2 4.19Å; A713-Y748 PolarHBondContact N-O 3.25Å; A713-Y748 PolarHBondContact O-N 3.35Å
749	R	81.6	Confident	56.7	Low	57 Å²	57	84.1 Å²	84.1	22%	0.215	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	104.1	-179.3	-169.9	170.2	-63.7	156.3	6.1	109.5	E665 V667 S707 D712	E665-R749 PolarHBondContact N-O 3.13Å; E665-R749 PolarHBondContact O-N 2.92Å; V667-R749 HydrophobicContact CG2-CB 3.9Å; S707-R749 PolarHBondContact O-NH1 2.67Å; S707-R749 PolarHBondContact O-NH2 3.33Å; D712-R749 IonicContact OD1-CZ 3.48Å; D712-R749 IonicContact OD1-NE 3.08Å; D712-R749 PolarHBondContact OD1-NE 3.14Å; D712-R749 IonicContact OD1-NH2 3.7Å; D712-R749 PolarHBondContact OD1-NH2 2.93Å; D712-R749 IonicContact OD2-CZ 3.62Å; D712-R749 IonicContact OD2-NE 2.77Å; D712-R749 IonicContact OD2-NH2 3.32Å; D712-R749 PolarHBondContact OD2-NH2 2.62Å
750	G	60.1	Low	55	Low	39 Å²	39	81.4 Å²	81.4	40%	0.402	50%	0.495	S	S	.	.			trans	-160.8	118.7	175.3	0	0	0	0	0	109.5
751	G	48.2	Very low	54	Low	76 Å²	76	81.4 Å²	81.4	78%	0.784	51%	0.509	S	S	*	.			trans	-68.2	151.1	174.7	0	0	0	0	0	111.3
752	T	33.9	Very low	52.5	Low	110 Å²	110	86.1 Å²	86.1	68%	0.675	53%	0.533	S	S	*	.			cis	-140.2	130.4	14.6	46.1	0	0	0	0	112	H754	T752-H754 PolarHBondContact O-N 3.24Å; T752-H754 VanDerWaalsContact O-N 3.16Å; T752-H754 PolarHBondContact OG1-CD2 3.02Å
753	Y	35.2	Very low	51	Low	133 Å²	133	90 Å²	90	52%	0.522	54%	0.542	S	S	.	.			trans	-84.1	70	160.8	-77.4	-71	0	0	0	109.8	S755	Y753-S755 PolarHBondContact O-N 3.09Å
754	H	28.1	Very low	48.4	Very low	158 Å²	158	100.4 Å²	100.4	73%	0.731	58%	0.581	S	S	*	*			trans	-64.8	128.9	159	-83.5	-78.3	0	0	0	108.6	T752 S756	T752-H754 PolarHBondContact O-N 3.24Å; T752-H754 VanDerWaalsContact O-N 3.16Å; T752-H754 PolarHBondContact OG1-CD2 3.02Å; H754-S756 PolarHBondContact O-N 3.19Å
755	S	26.1	Very low	45.9	Very low	114 Å²	114	104.1 Å²	104.1	80%	0.797	60%	0.601	S	S	*	*			trans	-59.4	134	167.6	-69	0	0	0	0	109	Y753 V757	Y753-S755 PolarHBondContact O-N 3.09Å; S755-V757 PolarHBondContact O-N 2.94Å
756	S	27.1	Very low	44.5	Very low	121 Å²	121	109.4 Å²	109.4	85%	0.846	64%	0.635	S	S	*	*	S	Bend	trans	-72.8	92.7	-168.5	55.9	0	0	0	0	112.7	H754	H754-S756 PolarHBondContact O-N 3.19Å
757	V	26.2	Very low	42.4	Very low	125 Å²	125	111.6 Å²	111.6	76%	0.758	65%	0.653	S	S	*	*			trans	-133	84.5	166.9	-172.1	0	0	0	0	109.8	S755	S755-V757 PolarHBondContact O-N 2.94Å
758	S	24.5	Very low	40.7	Very low	109 Å²	109	114.2 Å²	114.2	76%	0.762	67%	0.669	S	S	*	*			trans	70.9	177.9	158.1	-41.1	0	0	0	0	115.6
759	P	44.8	Very low	38.5	Very low	133 Å²	133	118.7 Å²	118.7	86%	0.864	70%	0.696	S	S	*	*				-138.3	163.6	-112.7	33.6	-10.1	0	0	0	119.1
760	G	29.5	Very low	36.3	Very low	70 Å²	70	123.9 Å²	123.9	72%	0.722	73%	0.727	S	S	*	*			trans	144.1	121	148	0	0	0	0	0	121.2
761	S	32.8	Very low	34.9	Very low	125 Å²	125	133.3 Å²	133.3	87%	0.874	75%	0.751	S	S	*	*			trans	69.3	169.1	148.8	-64.4	0	0	0	0	122.9
762	V	32.5	Very low	35	Very low	119 Å²	119	135.4 Å²	135.4	72%	0.721	75%	0.75	S	S	*	*				-166.3	146.2	-53.5	90.5	0	0	0	0	113.5
763	R	30.1	Very low	35.5	Very low	215 Å²	215	135.7 Å²	135.7	81%	0.811	75%	0.754	S	S	*	*			trans	65.2	156.3	164.7	-72.4	177.3	175.6	-179.7	-0.6	118.1
764	R	26.8	Very low	36.4	Very low	219 Å²	219	135.5 Å²	135.5	83%	0.826	77%	0.769	S	S	*	*			cis	-153.8	-176.5	3.2	-135	180	-179.6	-179.1	-1.5	113.4
765	L	29	Very low	38.1	Very low	165 Å²	165	133.3 Å²	133.3	86%	0.864	77%	0.769	S	S	*	*			trans	-131	-128.1	-172.8	-72.2	168.3	0	0	0	117
766	P	58.5	Low	39.6	Very low	110 Å²	110	132.9 Å²	132.9	71%	0.714	76%	0.764	S	S	*	*				-124.1	-148.6	-122.5	43.6	-21.7	0	0	0	114.3
767	P	42.8	Very low	40.2	Very low	94 Å²	94	132.7 Å²	132.7	61%	0.61	76%	0.757	S	S	*	*			cis	-134.4	-105.2	-0.6	28.1	2.4	0	0	0	121.3	P639	P639-P767 HydrophobicContact CB-CG 4.45Å
768	P	53.9	Low	40.5	Very low	54 Å²	54	133.9 Å²	133.9	35%	0.351	76%	0.759	S	S	.	*				-146.1	167.6	-124.9	47.8	-27.2	0	0	0	124	S638	S638-P768 WeakPolarHBondContact CB-O 3.35Å; S638-P768 PolarHBondContact OG-O 2.45Å
769	L	37.1	Very low	41.1	Very low	147 Å²	147	133.7 Å²	133.7	77%	0.77	76%	0.764	S	S	*	*			trans	60.1	159.4	137.6	-70	164.7	0	0	0	125.9
770	L	34.1	Very low	40.5	Very low	165 Å²	165	133.9 Å²	133.9	86%	0.864	76%	0.758	S	S	*	*				169.5	179.3	117.3	-85.1	171.6	0	0	0	119.6
771	R	32.7	Very low	40.6	Very low	238 Å²	238	136.6 Å²	136.6	90%	0.898	76%	0.756	S	S	*	*			trans	-153.7	178.4	-167.5	-97.7	-173.2	174.6	-159.1	-2.4	113.1
772	P	49.2	Very low	40.5	Very low	120 Å²	120	135.1 Å²	135.1	78%	0.779	75%	0.746	S	S	*	*			cis	-124.8	0	27.2	42	-19.8	0	0	0	115
773	P	43.7	Very low	40.2	Very low	116 Å²	116	134.6 Å²	134.6	75%	0.753	75%	0.747	S	S	*	*				0	-163.9	0	43.6	-21.7	0	0	0	116.9
774	P	54.2	Low	40.1	Very low	128 Å²	128	131.8 Å²	131.8	83%	0.831	75%	0.748	S	S	*	*			trans	-115.8	-106.4	-167.4	26.4	-2.9	0	0	0	124.9
775	P	64.2	Low	40.1	Very low	113 Å²	113	128.8 Å²	128.8	73%	0.734	75%	0.747	S	S	*	*			trans	-125.9	-153.4	-139.3	44.3	-23.9	0	0	0	115.9
776	P	57.8	Low	40.8	Very low	105 Å²	105	126.6 Å²	126.6	68%	0.682	74%	0.743	S	S	*	*			cis	-143.5	-161.8	-5.6	40.9	-16.5	0	0	0	118.6
777	V	39.2	Very low	39.3	Very low	117 Å²	117	129.4 Å²	129.4	71%	0.709	75%	0.746	S	S	*	*			trans	66.1	165.1	157.5	-57.3	0	0	0	0	124.4
778	D	33.8	Very low	38.5	Very low	149 Å²	149	128.2 Å²	128.2	80%	0.797	74%	0.744	S	S	*	*			cis	-171.6	170.9	-45.4	-83.3	-18.4	0	0	0	114.3
779	A	36.2	Very low	37.4	Very low	106 Å²	106	133.6 Å²	133.6	88%	0.876	77%	0.769	S	S	*	*			trans	74.1	163.9	159.9	0	0	0	0	0	123.3
780	D	31.7	Very low	37.4	Very low	137 Å²	137	132 Å²	132	73%	0.733	77%	0.768	S	S	*	*			cis	-173.5	157.4	-34.5	-176.2	36.6	0	0	0	115.3
781	N	32.6	Very low	37.2	Very low	127 Å²	127	131 Å²	131	68%	0.679	77%	0.768	S	S	*	*			trans	57.8	166.2	158.6	-101.5	-65.8	0	0	0	123.3
782	S	29.5	Very low	37.6	Very low	94 Å²	94	125 Å²	125	66%	0.657	76%	0.76	S	S	*	*			cis	-166.1	169.5	-11.6	-146.8	0	0	0	0	116
783	S	27.4	Very low	36.6	Very low	108 Å²	108	130.7 Å²	130.7	76%	0.755	77%	0.766	S	S	*	*			trans	71.9	167.9	156.8	82.8	0	0	0	0	121.1
784	L	26.8	Very low	35.8	Very low	156 Å²	156	131.1 Å²	131.1	82%	0.817	77%	0.771	S	S	*	*			cis	-160.7	-165.4	-8.6	-128.2	174.6	0	0	0	112.9
785	L	28.5	Very low	34.5	Very low	155 Å²	155	129.1 Å²	129.1	81%	0.812	77%	0.766	S	S	*	*			trans	-148.3	169.9	-176.6	-69.7	179.7	0	0	0	113.9
786	P	43.9	Very low	32.7	Very low	119 Å²	119	130.4 Å²	130.4	77%	0.773	77%	0.772	S	S	*	*			cis	-131	-147.7	-5.9	44	-23.6	0	0	0	112.7
787	E	27.1	Very low	31.2	Very low	170 Å²	170	130.1 Å²	130.1	79%	0.794	77%	0.773	S	S	*	*			cis	-165.4	171.6	-14.3	-132.3	-62.3	77.4	0	0	112
788	A	25.9	Very low	30.6	Very low	68 Å²	68	132 Å²	132	56%	0.562	78%	0.779	S	S	*	*			trans	78.7	107.8	143.2	0	0	0	0	0	125.7
789	L	30.5	Very low	30.7	Very low	167 Å²	167	130.4 Å²	130.4	87%	0.874	78%	0.776	S	S	*	*			trans	30.7	167.8	135.2	-56.6	-176.5	0	0	0	124
790	P	36.6	Very low	30.8	Very low	115 Å²	115	130.4 Å²	130.4	75%	0.747	77%	0.767	S	S	*	*			cis	-133.2	177.2	0.9	40.5	-21.9	0	0	0	117.3
791	V	29.3	Very low	30.5	Very low	143 Å²	143	129.4 Å²	129.4	87%	0.867	77%	0.771	S	S	*	*			trans	-150.8	142	-179.4	-70.4	0	0	0	0	117.6
792	P	42	Very low	30.5	Very low	112 Å²	112	129.5 Å²	129.5	73%	0.727	78%	0.778	S	S	*	*			trans	-150.5	171.1	165.4	42.6	-25.6	0	0	0	119.4
793	R	27.5	Very low	30.4	Very low	240 Å²	240	132.2 Å²	132.2	91%	0.906	79%	0.785	S	S	*	*			trans	76.5	170.4	167.2	-61.2	174.7	179.6	137.1	1.5	116.6
794	S	27.8	Very low	30.4	Very low	124 Å²	124	135.7 Å²	135.7	87%	0.867	79%	0.794	S	S	*	*			cis	-150.5	-160	14.8	-157.9	0	0	0	0	114.6
795	A	26.8	Very low	30.5	Very low	87 Å²	87	133.2 Å²	133.2	72%	0.719	79%	0.79	S	S	*	*			trans	-145.4	174.1	-174	0	0	0	0	0	113.5
796	T	26.4	Very low	30.5	Very low	139 Å²	139	131.4 Å²	131.4	85%	0.853	79%	0.79	S	S	*	*			cis	-132.5	-144.6	18.9	59.5	0	0	0	0	112
797	S	25.6	Very low	30	Very low	100 Å²	100	128.3 Å²	128.3	70%	0.699	77%	0.771	S	S	*	*			cis	-152.2	-154.2	17.1	69.7	0	0	0	0	113.6
798	N	26	Very low	30.5	Very low	157 Å²	157	122.9 Å²	122.9	84%	0.84	75%	0.752	S	S	*	*			trans	-164.6	-179.6	-176	-91.6	-39.5	0	0	0	110.9
799	P	36.4	Very low	31.5	Very low	114 Å²	114	124.1 Å²	124.1	74%	0.74	75%	0.749	S	S	*	*			cis	-141.8	-153.9	14.1	47.6	-27.7	0	0	0	114.6
800	P	38.5	Very low	32.6	Very low	106 Å²	106	119.2 Å²	119.2	69%	0.688	72%	0.723	S	S	*	*			cis	-130.5	147.2	-29.3	28.3	-7.6	0	0	0	117.2
801	S	26.2	Very low	33.4	Very low	117 Å²	117	117.9 Å²	117.9	82%	0.818	71%	0.706	S	S	*	*			trans	60.7	160.1	139.2	-62	0	0	0	0	123
802	P	32	Very low	34.5	Very low	128 Å²	128	112.5 Å²	112.5	83%	0.831	68%	0.675	S	S	*	*			cis	-116.4	-178.2	2.1	42	-30.2	0	0	0	115.5
803	L	27	Very low	35.5	Very low	152 Å²	152	108.9 Å²	108.9	80%	0.796	65%	0.651	S	S	*	*			trans	-104.7	158.5	-169.1	-72.2	159.9	0	0	0	114.7
804	L	26.8	Very low	36.7	Very low	180 Å²	180	97.6 Å²	97.6	94%	0.942	61%	0.609	S	S	*	*			trans	-139.3	122.6	145.4	-91	175.5	0	0	0	108.7
805	S	30.5	Very low	37.9	Very low	104 Å²	104	92.4 Å²	92.4	73%	0.727	57%	0.571	S	S	*	*			trans	-110.1	131.8	-177.3	-56.8	0	0	0	0	111.4
806	S	28.5	Very low	38.7	Very low	118 Å²	118	93 Å²	93	83%	0.825	56%	0.562	S	S	*	*			trans	-92.9	131.1	175.4	53.3	0	0	0	0	111.7
807	S	32.8	Very low	39.1	Very low	54 Å²	54	92.7 Å²	92.7	38%	0.378	55%	0.55	S	S	.	*			trans	-98.8	143	172.9	48.1	0	0	0	0	112
808	S	38.2	Very low	39.3	Very low	55 Å²	55	93.5 Å²	93.5	39%	0.385	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.6	108.9	178.6	38.4	0	0	0	0	111.6	D887	S808-D887 PolarHBondContact OG-O 3.33Å; S808-D887 VanDerWaalsContact OG-O 3.07Å
809	L	46.2	Very low	39.4	Very low	95 Å²	95	87.8 Å²	87.8	50%	0.497	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	128.5	168.7	-170.4	74.6	0	0	0	109.5	A884 S885	L809-A884 HydrophobicContact CD1-CB 4.34Å; L809-S885 WeakPolarHBondContact CD1-O 3.41Å
810	I	54.6	Low	38.9	Very low	63 Å²	63	87.8 Å²	87.8	32%	0.323	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	132.7	-179.3	-43.4	-174.8	0	0	0	109.4	A884 S885 D887 H935	I810-A884 WeakPolarHBondContact O-CA 3.45Å; I810-S885 PolarHBondContact N-O 3.04Å; I810-S885 PolarHBondContact O-N 3.32Å; I810-S885 VanDerWaalsContact O-O 3.08Å; I810-D887 HydrophobicContact CD1-CB 3.86Å; I810-H935 HydrophobicContact CB-CB 4.48Å; I810-H935 WeakPolarHBondContact CG2-CD2 3.35Å; I810-H935 PolarHBondContact O-CE1 3.49Å
811	Q	51.6	Low	38.5	Very low	87 Å²	87	85.2 Å²	85.2	41%	0.407	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	138.7	-177.3	-60.1	-172.5	-4	0	0	111	I883 A884 H935	Q811-I883 WeakPolarHBondContact CA-O 3.08Å; Q811-A884 HydrophobicContact CG-CB 4.07Å; Q811-H935 VanDerWaalsContact C-CE1 3.48Å
812	S	53.1	Low	38.6	Very low	30 Å²	30	86.2 Å²	86.2	21%	0.21	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	148.9	175.4	-82.3	0	0	0	0	111	I883 H935 A939	S812-I883 PolarHBondContact N-O 3.46Å; S812-I883 PolarHBondContact O-N 2.83Å; S812-H935 WeakPolarHBondContact CB-NE2 3.48Å; S812-H935 PolarHBondContact N-CE1 3.27Å; S812-H935 VanDerWaalsContact N-CE1 3.28Å; S812-H935 PolarHBondContact N-NE2 2.9Å; S812-H935 PolarHBondContact OG-CD2 2.81Å; S812-H935 PolarHBondContact OG-NE2 3.21Å; S812-A939 WeakPolarHBondContact OG-CB 3.48Å
813	T	62.2	Low	38.3	Very low	36 Å²	36	83.2 Å²	83.2	22%	0.221	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	150.1	-180	62.8	0	0	0	0	110.4	F815 V821 V882	T813-F815 HydrophobicContact CG2-CD2 3.93Å; T813-F815 HydrophobicContact CG2-CE2 3.8Å; T813-F815 PolarHBondContact O-N 3.11Å; T813-F815 VanDerWaalsContact OG1-CD2 3.31Å; T813-F815 WeakPolarHBondContact OG1-CD2 3.48Å; T813-V821 HydrophobicContact CG2-CG2 4.32Å; T813-V882 HydrophobicContact CG2-CG1 4.46Å; T813-V882 HydrophobicContact CG2-CG2 4.14Å
814	S	53.7	Low	38.5	Very low	4 Å²	4	83 Å²	83	3%	0.028	49%	0.49	C	S	.	.	S	Bend	trans	-88.2	36.9	174.6	55.9	0	0	0	0	113.3	G878 F879 G880 F881	S814-G878 WeakPolarHBondContact O-CA 3.3Å; S814-F879 PolarHBondContact O-N 3.3Å; S814-F879 VanDerWaalsContact O-N 3.12Å; S814-G880 PolarHBondContact OG-N 3.19Å; S814-F881 PolarHBondContact N-O 2.74Å; S814-F881 VanDerWaalsContact N-O 3.13Å; S814-F881 VanDerWaalsContact OG-CD1 3.32Å; S814-F881 WeakPolarHBondContact OG-CD1 3.39Å; S814-F881 WeakPolarHBondContact OG-CE1 3.29Å; S814-F881 WeakPolarHBondContact OG-CG 3.31Å; S814-F881 PolarHBondContact OG-N 2.92Å; S814-F881 VanDerWaalsContact OG-N 3.14Å; S814-F881 PolarHBondContact OG-O 3.21Å; S814-F881 VanDerWaalsContact OG-O 3.08Å
815	F	53.9	Low	38.7	Very low	15 Å²	15	80 Å²	80	7%	0.066	47%	0.473	C	S	.	.			trans	-96.8	161.4	175.2	-53.6	-50.7	0	0	0	111.3	T813 E817 I819 R905	T813-F815 HydrophobicContact CG2-CD2 3.93Å; T813-F815 HydrophobicContact CG2-CE2 3.8Å; T813-F815 PolarHBondContact O-N 3.11Å; T813-F815 VanDerWaalsContact OG1-CD2 3.31Å; T813-F815 WeakPolarHBondContact OG1-CD2 3.48Å; F815-E817 WeakPolarHBondContact CB-O 3.2Å; F815-I819 HydrophobicContact CD1-CD1 4.49Å; F815-I819 HydrophobicContact CD2-CB 4.2Å; F815-I819 HydrophobicContact CD2-CD1 3.75Å; F815-I819 HydrophobicContact CD2-CG1 3.85Å; F815-I819 HydrophobicContact CE1-CD1 4.45Å; F815-I819 HydrophobicContact CE2-CB 4.3Å; F815-I819 HydrophobicContact CE2-CD1 3.74Å; F815-I819 HydrophobicContact CE2-CG1 4.19Å; F815-I819 HydrophobicContact CG-CD1 4.22Å; F815-I819 HydrophobicContact CG-CG1 4.47Å; F815-I819 HydrophobicContact CZ-CD1 4.16Å; F815-R905 VanDerWaalsContact CE1-NH1 3.29Å; F815-R905 VanDerWaalsContact CZ-CD 3.4Å
816	L	42.5	Very low	38.9	Very low	99 Å²	99	81.5 Å²	81.5	52%	0.518	47%	0.469	S	S	.	.	S	Bend	trans	-90.6	-16.2	166.8	-68.7	170.5	0	0	0	112
817	E	34.1	Very low	39.4	Very low	132 Å²	132	80.6 Å²	80.6	62%	0.617	46%	0.46	S	S	*	.	S	Bend	trans	-119.7	144.8	175.1	-66.7	178.3	109.6	0	0	110.8	F815 I819	F815-E817 WeakPolarHBondContact CB-O 3.2Å; E817-I819 PolarHBondContact O-N 3.19Å; E817-I819 VanDerWaalsContact O-N 3.1Å
818	S	29.6	Very low	39.7	Very low	118 Å²	118	84.9 Å²	84.9	83%	0.825	47%	0.472	S	S	*	.			trans	-90	71.6	-161	-63.9	0	0	0	0	113.9	P820	S818-P820 WeakPolarHBondContact O-CD 3.33Å
819	I	30	Very low	39.7	Very low	36 Å²	36	86.1 Å²	86.1	19%	0.185	47%	0.474	C	S	.	.			trans	-66.1	125.1	175	-40.9	178.3	0	0	0	111.4	E162 F815 E817 V821	E162-I819 VanDerWaalsContact CD-CG1 3.4Å; E162-I819 HydrophobicContact CG-CD1 4.09Å; E162-I819 HydrophobicContact CG-CG1 3.81Å; E162-I819 VanDerWaalsContact OE1-CD1 3.23Å; E162-I819 WeakPolarHBondContact OE1-CD1 3.19Å; E162-I819 WeakPolarHBondContact OE1-CG1 3.4Å; E162-I819 WeakPolarHBondContact OE2-CD1 3.18Å; F815-I819 HydrophobicContact CD1-CD1 4.49Å; F815-I819 HydrophobicContact CD2-CB 4.2Å; F815-I819 HydrophobicContact CD2-CD1 3.75Å; F815-I819 HydrophobicContact CD2-CG1 3.85Å; F815-I819 HydrophobicContact CE1-CD1 4.45Å; F815-I819 HydrophobicContact CE2-CB 4.3Å; F815-I819 HydrophobicContact CE2-CD1 3.74Å; F815-I819 HydrophobicContact CE2-CG1 4.19Å; F815-I819 HydrophobicContact CG-CD1 4.22Å; F815-I819 HydrophobicContact CG-CG1 4.47Å; F815-I819 HydrophobicContact CZ-CD1 4.16Å; E817-I819 PolarHBondContact O-N 3.19Å; E817-I819 VanDerWaalsContact O-N 3.1Å; I819-V821 PolarHBondContact O-N 2.92Å
820	P	25.1	Very low	39.3	Very low	114 Å²	114	86.1 Å²	86.1	74%	0.74	47%	0.467	S	S	*	.			trans	-75.7	105.3	166	30.8	-31.7	0	0	0	110.2	S818 T822	S818-P820 WeakPolarHBondContact O-CD 3.33Å; P820-T822 PolarHBondContact O-N 3.22Å
821	V	29.4	Very low	38.6	Very low	53 Å²	53	87.2 Å²	87.2	32%	0.321	47%	0.473	S	S	.	.			trans	-85.3	107.1	174.3	-174.6	0	0	0	0	109.5	T813 I819 L823 V882	T813-V821 HydrophobicContact CG2-CG2 4.32Å; I819-V821 PolarHBondContact O-N 2.92Å; V821-L823 HydrophobicContact CG1-CD2 3.87Å; V821-L823 HydrophobicContact CG1-CG 4.03Å; V821-L823 PolarHBondContact O-N 3.47Å; V821-V882 HydrophobicContact CG2-CG2 4.36Å
822	T	28.6	Very low	37.9	Very low	137 Å²	137	90.3 Å²	90.3	84%	0.84	49%	0.492	S	S	*	.			trans	-71.8	112.8	170.5	48.9	0	0	0	0	110.4	P820	P820-T822 PolarHBondContact O-N 3.22Å
823	L	26.8	Very low	37.4	Very low	65 Å²	65	92.4 Å²	92.4	34%	0.34	50%	0.501	S	S	.	.			trans	-108.9	130.4	174.8	-65.9	177.5	0	0	0	110.9	V821 M825 V902	V821-L823 HydrophobicContact CG1-CD2 3.87Å; V821-L823 HydrophobicContact CG1-CG 4.03Å; V821-L823 PolarHBondContact O-N 3.47Å; L823-M825 PolarHBondContact O-N 3.29Å; L823-V902 HydrophobicContact CD1-CB 4.44Å; L823-V902 HydrophobicContact CD1-CG1 3.59Å
824	T	31.1	Very low	36.1	Very low	147 Å²	147	93.7 Å²	93.7	90%	0.902	52%	0.521	S	S	*	.			trans	-92.1	80.2	177.6	53.7	0	0	0	0	110.5
825	M	30	Very low	35.1	Very low	117 Å²	117	101.3 Å²	101.3	58%	0.576	56%	0.561	S	S	*	*			trans	-131.8	136.8	167.9	-69	-169.3	67.8	0	0	109.4	L823 D829	L823-M825 PolarHBondContact O-N 3.29Å; M825-D829 HydrophobicContact CE-CB 3.61Å
826	E	34.4	Very low	34.1	Very low	136 Å²	136	109.9 Å²	109.9	64%	0.636	60%	0.601	S	S	*	*			trans	-84	156.2	175.7	-72.5	-143.3	151.9	0	0	111.1	K828 D829	E826-K828 PolarHBondContact O-N 3.16Å; E826-D829 PolarHBondContact N-OD2 2.78Å; E826-D829 PolarHBondContact O-N 3.5Å
827	P	39.1	Very low	33.8	Very low	99 Å²	99	112.8 Å²	112.8	64%	0.643	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	25.4	174	-23.7	35.7	0	0	0	116.5	W830 I831	P827-W830 VanDerWaalsContact C-CD1 3.4Å; P827-W830 VanDerWaalsContact C-NE1 3.25Å; P827-W830 PolarHBondContact O-NE1 2.83Å; P827-I831 WeakPolarHBondContact O-CD1 3.47Å
828	K	38.6	Very low	33.8	Very low	144 Å²	144	115 Å²	115	63%	0.626	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.2	-37.8	172.7	-73.4	-180	174.2	178.2	0	112.6	E826 W830 I831 D832	E826-K828 PolarHBondContact O-N 3.16Å; K828-W830 PolarHBondContact O-N 3.37Å; K828-I831 PolarHBondContact O-N 2.73Å; K828-D832 PolarHBondContact O-N 3.13Å
829	D	38.9	Very low	34	Very low	81 Å²	81	114.7 Å²	114.7	43%	0.433	63%	0.632	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64	-11.7	-175.4	-50.6	-39.3	0	0	0	114	M825 E826 I833	M825-D829 HydrophobicContact CE-CB 3.61Å; E826-D829 PolarHBondContact N-OD2 2.78Å; E826-D829 PolarHBondContact O-N 3.5Å; D829-I833 VanDerWaalsContact O-CD1 3.26Å; D829-I833 WeakPolarHBondContact O-CD1 3.46Å
830	W	38.2	Very low	33.9	Very low	95 Å²	95	116.3 Å²	116.3	36%	0.36	66%	0.658	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.2	-18.3	174.7	72.3	-80.5	0	0	0	113.9	P827 K828 L897	P827-W830 VanDerWaalsContact C-CD1 3.4Å; P827-W830 VanDerWaalsContact C-NE1 3.25Å; P827-W830 PolarHBondContact O-NE1 2.83Å; K828-W830 PolarHBondContact O-N 3.37Å; W830-L897 HydrophobicContact CZ3-CD1 4.19Å
831	I	40.5	Very low	34.1	Very low	86 Å²	86	114.7 Å²	114.7	44%	0.441	66%	0.662	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.5	-43.3	-175.6	-51.9	-179.1	0	0	0	110.4	P827 K828 I833 G834	P827-I831 WeakPolarHBondContact O-CD1 3.47Å; K828-I831 PolarHBondContact O-N 2.73Å; I831-I833 PolarHBondContact O-N 3.41Å; I831-G834 PolarHBondContact O-N 2.88Å
832	D	35.4	Very low	34.1	Very low	152 Å²	152	116 Å²	116	81%	0.813	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	23.1	179.9	-78.6	-0.9	0	0	0	114.3	K828	K828-D832 PolarHBondContact O-N 3.13Å
833	I	42.3	Very low	34.1	Very low	74 Å²	74	113.8 Å²	113.8	38%	0.379	69%	0.69	S	S	.	*	T	Hydrogen-bonded Turn	trans	-132.8	26.8	176.6	-37.6	174.1	0	0	0	110	D829 I831	D829-I833 VanDerWaalsContact O-CD1 3.26Å; D829-I833 WeakPolarHBondContact O-CD1 3.46Å; I831-I833 PolarHBondContact O-N 3.41Å
834	G	35.8	Very low	34.2	Very low	64 Å²	64	114.8 Å²	114.8	66%	0.66	72%	0.716	S	S	*	*	S	Bend	trans	-157.8	22.9	-169	0	0	0	0	0	117.3	I831	I831-G834 PolarHBondContact O-N 2.88Å
835	L	31.9	Very low	34	Very low	163 Å²	163	111 Å²	111	85%	0.853	71%	0.706	S	S	*	*			trans	-148.8	44.9	176.9	-156.4	73.4	0	0	0	115.1
836	E	32.8	Very low	33.9	Very low	196 Å²	196	112.1 Å²	112.1	92%	0.916	72%	0.719	S	S	*	*	S	Bend	trans	-136.4	73.4	161.1	-74.9	-161.9	156.9	0	0	110.7
837	D	36.5	Very low	33.5	Very low	159 Å²	159	110.9 Å²	110.9	85%	0.85	73%	0.726	S	S	*	*	S	Bend	trans	-170.1	168.1	136.8	-115.2	-27.8	0	0	0	110
838	E	35.8	Very low	33.2	Very low	179 Å²	179	112.7 Å²	112.7	84%	0.836	74%	0.735	S	S	*	*			trans	64	61.6	174.4	-68.6	-72.1	84	0	0	117.2
839	A	32.1	Very low	33.6	Very low	112 Å²	112	110.7 Å²	110.7	93%	0.926	74%	0.736	S	S	*	*			trans	-117.8	63.9	156.1	0	0	0	0	0	110.5
840	G	29	Very low	32.9	Very low	70 Å²	70	115.5 Å²	115.5	72%	0.722	76%	0.757	S	S	*	*			trans	-124.2	26.5	-161.8	0	0	0	0	0	117.6
841	G	29	Very low	32.3	Very low	80 Å²	80	114.8 Å²	114.8	83%	0.825	77%	0.771	S	S	*	*			trans	83.1	172.7	-179.8	0	0	0	0	0	114.6
842	G	28.8	Very low	31.7	Very low	80 Å²	80	116.1 Å²	116.1	83%	0.825	79%	0.788	S	S	*	*			cis	159.5	117.4	-6.7	0	0	0	0	0	112.7
843	G	29.1	Very low	31.6	Very low	90 Å²	90	116.6 Å²	116.6	93%	0.928	79%	0.789	S	S	*	*			trans	88.3	140.7	178.2	0	0	0	0	0	113.8
844	G	28.9	Very low	30.9	Very low	86 Å²	86	119.8 Å²	119.8	89%	0.887	80%	0.803	S	S	*	*			trans	-116.7	173.6	179.4	0	0	0	0	0	112.6
845	G	26.9	Very low	30.7	Very low	68 Å²	68	124.1 Å²	124.1	70%	0.701	80%	0.803	S	S	*	*			trans	150.4	106.1	162.6	0	0	0	0	0	117.2
846	V	28.1	Very low	30.8	Very low	140 Å²	140	127.4 Å²	127.4	85%	0.848	80%	0.804	S	S	*	*			trans	68.3	147.6	137.4	-167.6	0	0	0	0	119.9
847	S	25.8	Very low	30.5	Very low	111 Å²	111	128 Å²	128	78%	0.776	80%	0.804	S	S	*	*			trans	70.4	118.8	158.3	45.9	0	0	0	0	122.4
848	V	32	Very low	30.5	Very low	137 Å²	137	124.2 Å²	124.2	83%	0.83	80%	0.802	S	S	*	*			trans	-87.8	153.3	146.1	153.7	0	0	0	0	106.5
849	P	47	Very low	30.4	Very low	101 Å²	101	124.7 Å²	124.7	66%	0.656	80%	0.804	S	S	*	*			cis	-144.6	-179.4	35.3	37.8	-15	0	0	0	119.6
850	E	24.9	Very low	30.4	Very low	183 Å²	183	130.8 Å²	130.8	86%	0.855	80%	0.804	S	S	*	*			trans	81.8	145.5	137.9	-99.7	-168.7	124.3	0	0	126.5
851	A	26.5	Very low	30.4	Very low	80 Å²	80	133.5 Å²	133.5	66%	0.661	81%	0.806	S	S	*	*			trans	80.7	140.9	143.1	0	0	0	0	0	124
852	S	26.8	Very low	30.6	Very low	114 Å²	114	141 Å²	141	80%	0.797	81%	0.81	S	S	*	*			trans	70.2	126.1	152.6	32.1	0	0	0	0	122.5
853	L	33	Very low	31.2	Very low	161 Å²	161	148.3 Å²	148.3	84%	0.843	81%	0.812	S	S	*	*			trans	-50	157.6	151.5	-60.9	105.3	0	0	0	111.5
854	E	28.3	Very low	32.2	Very low	141 Å²	141	150.6 Å²	150.6	66%	0.659	80%	0.797	S	S	*	*			cis	-170.5	177.1	38.6	-145.5	-162.1	167.2	0	0	113.8
855	K	31.5	Very low	33.8	Very low	155 Å²	155	157.5 Å²	157.5	67%	0.674	80%	0.796	S	S	*	*			trans	59	89.7	153.4	-77.3	177	176.7	82.4	0	122.3
856	R	33.7	Very low	36	Very low	233 Å²	233	155 Å²	155	88%	0.879	77%	0.77	S	S	*	*				65	95.2	105.5	-169.4	-158.9	-165.5	-177.2	6.7	120.5
857	K	27.5	Very low	38.8	Very low	209 Å²	209	151.6 Å²	151.6	91%	0.909	74%	0.744	S	S	*	*				-175.1	171.4	118.8	-111.4	-177	-177.9	-178.4	0	111
858	G	36.6	Very low	41.7	Very low	79 Å²	79	151.1 Å²	151.1	81%	0.814	73%	0.733	S	S	*	*	S	Bend	trans	125.3	-80.7	149.7	0	0	0	0	0	114.9
859	E	33.7	Very low	44.4	Very low	188 Å²	188	144.7 Å²	144.7	88%	0.879	69%	0.694	S	S	*	*			trans	-139.3	128.5	-161.9	-136.7	163.1	-173.9	0	0	113
860	R	30.6	Very low	46.5	Very low	241 Å²	241	144.3 Å²	144.3	91%	0.909	68%	0.683	S	S	*	*			trans	-128.3	97.5	166.8	-92.5	-172.6	170.2	178	-2.6	108.6	R862	R860-R862 PolarHBondContact O-N 3.13Å
861	T	30.8	Very low	49.5	Very low	127 Å²	127	135.7 Å²	135.7	78%	0.779	64%	0.643	S	S	*	*			trans	-36.1	126.1	156.6	-31.9	0	0	0	0	109	R863	T861-R863 PolarHBondContact O-N 2.94Å
862	R	33	Very low	52.3	Low	237 Å²	237	140.6 Å²	140.6	89%	0.894	65%	0.645	S	S	*	*			trans	-68.9	81.3	177.9	-80.1	-172.9	173.8	-172.9	-0.6	109.8	R860 F864	R860-R862 PolarHBondContact O-N 3.13Å; R862-F864 PolarHBondContact O-N 3.48Å; R862-F864 VanDerWaalsContact O-N 3.1Å
863	R	41.1	Very low	54.9	Low	233 Å²	233	136.3 Å²	136.3	88%	0.879	61%	0.611	S	S	*	*			trans	-55.4	116.2	163.8	-66.1	-174.5	-178.7	-174.4	-0.5	107	T861 R865	T861-R863 PolarHBondContact O-N 2.94Å; R863-R865 PolarHBondContact O-N 3.33Å
864	F	49.9	Very low	57	Low	139 Å²	139	136 Å²	136	61%	0.61	60%	0.603	S	S	*	*			trans	-59.2	107.5	174.5	-70.5	-90.6	0	0	0	108.1	R862 G866 V954 P957	R862-F864 PolarHBondContact O-N 3.48Å; R862-F864 VanDerWaalsContact O-N 3.1Å; F864-G866 PolarHBondContact O-N 3.1Å; F864-V954 HydrophobicContact CB-CG1 3.95Å; F864-P957 HydrophobicContact CE1-CB 4.22Å; F864-P957 HydrophobicContact CE2-CB 4.41Å; F864-P957 HydrophobicContact CZ-CB 3.9Å
865	R	61.2	Low	59	Low	231 Å²	231	134.4 Å²	134.4	87%	0.872	61%	0.605	S	S	*	*			trans	-74.6	121.7	178.2	-174.7	-170.6	-74.2	-148.9	-0.9	107.7	R863	R863-R865 PolarHBondContact O-N 3.33Å
866	G	74.1	Confident	60.3	Low	15 Å²	15	130.2 Å²	130.2	16%	0.155	61%	0.605	C	S	.	*			trans	-60.7	152.9	170.7	0	0	0	0	0	112	F864 I953	F864-G866 PolarHBondContact O-N 3.1Å; G866-I953 CarbonylContact C-O 3.54Å; G866-I953 WeakPolarHBondContact CA-O 3.29Å
867	F	86.8	Confident	62.1	Low	69 Å²	69	121.5 Å²	121.5	30%	0.303	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.4	145.3	174.7	61.9	-86.6	0	0	0	110.3	V869 Q915 T952 I953 P955	F867-V869 HydrophobicContact CD2-CG2 3.6Å; F867-V869 HydrophobicContact CE2-CG2 3.35Å; F867-V869 HydrophobicContact CZ-CG2 4.49Å; F867-Q915 HydrophobicContact CE2-CB 4.15Å; F867-Q915 WeakPolarHBondContact CZ-O 3.49Å; F867-T952 WeakPolarHBondContact O-CA 3.11Å; F867-I953 WeakPolarHBondContact CD1-O 3.47Å; F867-I953 HydrophobicContact CE1-CB 4.31Å; F867-I953 HydrophobicContact CE1-CG2 4.21Å; F867-I953 WeakPolarHBondContact CE1-O 3.49Å; F867-I953 HydrophobicContact CE2-CB 4.32Å; F867-I953 HydrophobicContact CZ-CB 4.08Å; F867-I953 HydrophobicContact CZ-CG2 3.97Å; F867-I953 PolarHBondContact N-O 3.32Å; F867-I953 PolarHBondContact O-N 2.94Å; F867-P955 HydrophobicContact CD1-CG 4.34Å; F867-P955 HydrophobicContact CE1-CB 4Å; F867-P955 HydrophobicContact CE1-CG 3.89Å
868	D	87.3	Confident	64.5	Low	101 Å²	101	112.2 Å²	112.2	54%	0.54	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	124.7	-178.6	-68.5	-26.8	0	0	0	111	L951 T952	D868-L951 CarbonylContact C-O 3.57Å; D868-L951 WeakPolarHBondContact CA-O 3.26Å; D868-T952 VanDerWaalsContact OD1-CB 3.3Å; D868-T952 WeakPolarHBondContact OD1-CB 3.38Å; D868-T952 WeakPolarHBondContact OD1-CG2 3.4Å; D868-T952 PolarHBondContact OD1-OG1 2.77Å
869	V	89.1	Confident	66.6	Low	1 Å²	1	108.5 Å²	108.5	1%	0.006	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	124.1	174.6	-174.1	0	0	0	0	109.2	F867 L871 Q915 I916 R950 L951 I953	F867-V869 HydrophobicContact CD2-CG2 3.6Å; F867-V869 HydrophobicContact CE2-CG2 3.35Å; F867-V869 HydrophobicContact CZ-CG2 4.49Å; V869-L871 HydrophobicContact CG1-CD2 3.71Å; V869-L871 HydrophobicContact CG1-CG 4.32Å; V869-Q915 HydrophobicContact CG1-CB 4.06Å; V869-Q915 HydrophobicContact CG2-CB 3.8Å; V869-I916 HydrophobicContact CG1-CD1 4.24Å; V869-I916 HydrophobicContact CG1-CG1 4.16Å; V869-I916 HydrophobicContact CG2-CG1 4.44Å; V869-R950 WeakPolarHBondContact O-CA 3.46Å; V869-L951 PolarHBondContact N-O 3.36Å; V869-L951 PolarHBondContact O-N 3.35Å; V869-I953 HydrophobicContact CB-CD1 4.22Å; V869-I953 HydrophobicContact CG2-CD1 3.79Å; V869-I953 HydrophobicContact CG2-CG1 4.41Å
870	E	90.7	Very high	68.8	Low	93 Å²	93	99.6 Å²	99.6	44%	0.435	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	119.8	170	-172.5	167.5	125.8	0	0	110.6	R872 T948 R950	E870-R872 HydrophobicContact CG-CG 4.39Å; E870-T948 HydrophobicContact CG-CG2 3.54Å; E870-R950 HydrophobicContact CG-CG 4.14Å; E870-R950 IonicContact OE2-CZ 3.12Å; E870-R950 IonicContact OE2-NE 2.84Å; E870-R950 PolarHBondContact OE2-NE 2.93Å; E870-R950 IonicContact OE2-NH2 2.81Å
871	L	88	Confident	71.3	Confident	2 Å²	2	88.2 Å²	88.2	1%	0.01	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	131.9	175.6	-56.8	-175.8	0	0	0	109.7	V869 F879 F881 P909 A910 I916 T948 L949 L951	V869-L871 HydrophobicContact CG1-CD2 3.71Å; V869-L871 HydrophobicContact CG1-CG 4.32Å; L871-F879 HydrophobicContact CB-CD1 3.76Å; L871-F879 HydrophobicContact CB-CE1 4.18Å; L871-F879 HydrophobicContact CD1-CB 4.17Å; L871-F879 HydrophobicContact CD1-CD1 4.3Å; L871-F881 HydrophobicContact CD1-CD1 4.09Å; L871-F881 HydrophobicContact CD1-CE1 3.73Å; L871-P909 HydrophobicContact CB-CB 4.38Å; L871-A910 HydrophobicContact CD1-CB 4.05Å; L871-A910 HydrophobicContact CD2-CB 4.45Å; L871-I916 HydrophobicContact CD1-CD1 3.85Å; L871-I916 HydrophobicContact CD2-CD1 4.07Å; L871-I916 HydrophobicContact CG-CD1 4.31Å; L871-T948 CarbonylContact O-C 3.59Å; L871-T948 WeakPolarHBondContact O-CA 3.33Å; L871-L949 PolarHBondContact N-O 3.21Å; L871-L949 PolarHBondContact O-N 3.1Å; L871-L951 HydrophobicContact CD1-CD1 3.75Å; L871-L951 HydrophobicContact CG-CD1 4.34Å
872	R	84.4	Confident	73.6	Confident	183 Å²	183	82.4 Å²	82.4	69%	0.691	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.1	177	-61.9	-178.3	67.5	-168	0.8	109.6	E870 P909 N947 T948	E870-R872 HydrophobicContact CG-CG 4.39Å; R872-P909 WeakPolarHBondContact O-CB 3.3Å; R872-N947 WeakPolarHBondContact CA-O 3.27Å; R872-T948 HydrophobicContact CG-CG2 4.14Å
873	R	81.9	Confident	75.9	Confident	24 Å²	24	71.2 Å²	71.2	9%	0.091	34%	0.338	C	S	.	.			trans	-116.8	155.6	-176	64.1	161.5	162.7	177.6	-4.6	111.3	E877 F879 P909 A945 G946 N947	R873-E877 HydrophobicContact CB-CB 4.27Å; R873-E877 WeakPolarHBondContact CD-O 3.44Å; R873-E877 PolarHBondContact NH1-O 3.43Å; R873-F879 HydrophobicContact CB-CD1 4.1Å; R873-F879 HydrophobicContact CB-CE1 3.93Å; R873-F879 HydrophobicContact CG-CD1 4.14Å; R873-F879 HydrophobicContact CG-CE1 3.54Å; R873-F879 HydrophobicContact CG-CE2 4.47Å; R873-F879 HydrophobicContact CG-CZ 3.73Å; R873-F879 VanDerWaalsContact CZ-CE2 3.5Å; R873-F879 VanDerWaalsContact NE-CE2 3.31Å; R873-P909 HydrophobicContact CB-CG 3.83Å; R873-A945 PolarHBondContact NH2-O 2.94Å; R873-G946 PolarHBondContact NE-O 3.18Å; R873-G946 PolarHBondContact NH2-O 3.42Å; R873-G946 VanDerWaalsContact NH2-O 3.17Å; R873-N947 HydrophobicContact CG-CB 4.42Å; R873-N947 WeakPolarHBondContact CG-O 3.43Å; R873-N947 PolarHBondContact N-O 2.87Å
874	K	77.1	Confident	77.5	Confident	155 Å²	155	60.7 Å²	60.7	67%	0.674	30%	0.301	S	S	*	.			trans	-72.1	155.3	164.9	-65.8	-176.2	177.8	-175.5	0	110.4	G876 E877	K874-G876 PolarHBondContact O-N 3.48Å; K874-E877 HydrophobicContact CB-CB 4.1Å; K874-E877 PolarHBondContact N-OE2 2.87Å; K874-E877 WeakPolarHBondContact O-CB 3.35Å; K874-E877 PolarHBondContact O-N 3.33Å
875	P	69.2	Low	78.6	Confident	107 Å²	107	54.3 Å²	54.3	70%	0.695	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	132.7	165.8	-22	32.7	0	0	0	110.2	E877	P875-E877 VanDerWaalsContact C-N 3.28Å; P875-E877 PolarHBondContact O-N 2.8Å
876	G	60.4	Low	78.4	Confident	67 Å²	67	45.5 Å²	45.5	69%	0.691	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.7	-20.7	-174.9	0	0	0	0	0	115.7	K874	K874-G876 PolarHBondContact O-N 3.48Å
877	E	71.4	Confident	77.4	Confident	51 Å²	51	47.1 Å²	47.1	24%	0.238	25%	0.247	C	C	.	.			trans	-74.1	147.5	177.9	-166.4	-177	-167	0	0	110.7	R873 K874 P875 P909 K912	R873-E877 HydrophobicContact CB-CB 4.27Å; R873-E877 WeakPolarHBondContact CD-O 3.44Å; R873-E877 PolarHBondContact NH1-O 3.43Å; K874-E877 HydrophobicContact CB-CB 4.1Å; K874-E877 PolarHBondContact N-OE2 2.87Å; K874-E877 WeakPolarHBondContact O-CB 3.35Å; K874-E877 PolarHBondContact O-N 3.33Å; P875-E877 VanDerWaalsContact C-N 3.28Å; P875-E877 PolarHBondContact O-N 2.8Å; E877-P909 HydrophobicContact CG-CG 4.44Å; E877-P909 WeakPolarHBondContact OE1-CD 3.44Å; E877-K912 IonicContact OE1-NZ 2.68Å; E877-K912 PolarHBondContact OE1-NZ 3.46Å
878	G	77.8	Confident	75.5	Confident	14 Å²	14	50.2 Å²	50.2	14%	0.144	27%	0.267	C	S	.	.			trans	-89.1	153.9	166.8	0	0	0	0	0	111.6	S814 G880 P909	S814-G878 WeakPolarHBondContact O-CA 3.3Å; G878-G880 PolarHBondContact O-N 2.94Å; G878-P909 WeakPolarHBondContact O-CD 3.19Å
879	F	80.6	Confident	73.4	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.28	C	S	.	.			trans	-65.9	-19.4	175.2	-63.5	-75.3	0	0	0	112.6	S814 L871 R873 F881 S908 P909 A910 A945 G946 L949	S814-F879 PolarHBondContact O-N 3.3Å; S814-F879 VanDerWaalsContact O-N 3.12Å; L871-F879 HydrophobicContact CB-CD1 3.76Å; L871-F879 HydrophobicContact CB-CE1 4.18Å; L871-F879 HydrophobicContact CD1-CB 4.17Å; L871-F879 HydrophobicContact CD1-CD1 4.3Å; R873-F879 HydrophobicContact CB-CD1 4.1Å; R873-F879 HydrophobicContact CB-CE1 3.93Å; R873-F879 HydrophobicContact CG-CD1 4.14Å; R873-F879 HydrophobicContact CG-CE1 3.54Å; R873-F879 HydrophobicContact CG-CE2 4.47Å; R873-F879 HydrophobicContact CG-CZ 3.73Å; R873-F879 VanDerWaalsContact CZ-CE2 3.5Å; R873-F879 VanDerWaalsContact NE-CE2 3.31Å; F879-F881 HydrophobicContact CB-CD1 3.89Å; F879-F881 HydrophobicContact CB-CE1 3.49Å; F879-F881 VanDerWaalsContact CB-CE1 3.49Å; F879-F881 HydrophobicContact CB-CZ 4.41Å; F879-F881 HydrophobicContact CG-CE1 4.4Å; F879-S908 PolarHBondContact O-OG 3.45Å; F879-P909 HydrophobicContact CD1-CB 4.38Å; F879-A910 WeakPolarHBondContact O-CB 3.35Å; F879-A910 PolarHBondContact O-N 3.06Å; F879-A910 VanDerWaalsContact O-N 3.14Å; F879-A945 HydrophobicContact CE2-CB 4.28Å; F879-G946 WeakPolarHBondContact CZ-O 3.45Å; F879-L949 HydrophobicContact CB-CD2 4.3Å; F879-L949 HydrophobicContact CD1-CB 3.98Å; F879-L949 HydrophobicContact CD1-CD2 4.04Å; F879-L949 HydrophobicContact CD2-CB 4.32Å; F879-L949 HydrophobicContact CD2-CD2 3.48Å; F879-L949 VanDerWaalsContact CD2-CD2 3.48Å; F879-L949 HydrophobicContact CE1-CB 3.39Å; F879-L949 HydrophobicContact CE1-CD2 4.2Å; F879-L949 HydrophobicContact CE1-CG 4.45Å; F879-L949 HydrophobicContact CE2-CB 3.78Å; F879-L949 HydrophobicContact CE2-CD2 3.66Å; F879-L949 HydrophobicContact CE2-CG 4.31Å; F879-L949 HydrophobicContact CG-CB 4.41Å; F879-L949 HydrophobicContact CG-CD2 3.67Å; F879-L949 HydrophobicContact CZ-CB 3.27Å; F879-L949 HydrophobicContact CZ-CD2 4.02Å; F879-L949 HydrophobicContact CZ-CG 4.27Å
880	G	79	Confident	70.9	Confident	2 Å²	2	61 Å²	61	2%	0.021	32%	0.319	C	S	.	.			trans	73	48.8	163.2	0	0	0	0	0	114.1	S814 G878 R905 S908	S814-G880 PolarHBondContact OG-N 3.19Å; G878-G880 PolarHBondContact O-N 2.94Å; G880-R905 PolarHBondContact O-N 3.09Å; G880-S908 PolarHBondContact O-OG 3.41Å; G880-S908 VanDerWaalsContact O-OG 3.05Å
881	F	83.4	Confident	68.8	Low	2 Å²	2	60.7 Å²	60.7	1%	0.009	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	163.7	166.8	60.1	-99.9	0	0	0	110.6	S814 L871 F879 I883 F901 T903 V904 A910 L942 L949 L951	S814-F881 PolarHBondContact N-O 2.74Å; S814-F881 VanDerWaalsContact N-O 3.13Å; S814-F881 VanDerWaalsContact OG-CD1 3.32Å; S814-F881 WeakPolarHBondContact OG-CD1 3.39Å; S814-F881 WeakPolarHBondContact OG-CE1 3.29Å; S814-F881 WeakPolarHBondContact OG-CG 3.31Å; S814-F881 PolarHBondContact OG-N 2.92Å; S814-F881 VanDerWaalsContact OG-N 3.14Å; S814-F881 PolarHBondContact OG-O 3.21Å; S814-F881 VanDerWaalsContact OG-O 3.08Å; L871-F881 HydrophobicContact CD1-CD1 4.09Å; L871-F881 HydrophobicContact CD1-CE1 3.73Å; F879-F881 HydrophobicContact CB-CD1 3.89Å; F879-F881 HydrophobicContact CB-CE1 3.49Å; F879-F881 VanDerWaalsContact CB-CE1 3.49Å; F879-F881 HydrophobicContact CB-CZ 4.41Å; F879-F881 HydrophobicContact CG-CE1 4.4Å; F881-I883 HydrophobicContact CD2-CD1 4.19Å; F881-I883 HydrophobicContact CD2-CG1 3.95Å; F881-I883 HydrophobicContact CE2-CD1 3.68Å; F881-I883 HydrophobicContact CE2-CG1 3.95Å; F881-F901 HydrophobicContact CB-CD1 4.13Å; F881-F901 HydrophobicContact CD1-CE1 4.41Å; F881-F901 AromaticContact CD2-CD1 3.79Å; F881-F901 HydrophobicContact CD2-CD1 3.79Å; F881-F901 AromaticContact CD2-CE1 3.67Å; F881-F901 HydrophobicContact CD2-CE1 3.67Å; F881-F901 HydrophobicContact CE2-CD1 4.42Å; F881-F901 AromaticContact CE2-CE1 3.89Å; F881-F901 HydrophobicContact CE2-CE1 3.89Å; F881-F901 HydrophobicContact CG-CD1 4.02Å; F881-F901 AromaticContact CG-CE1 3.94Å; F881-F901 HydrophobicContact CG-CE1 3.94Å; F881-F901 HydrophobicContact CZ-CE1 4.33Å; F881-T903 CarbonylContact C-O 3.53Å; F881-T903 WeakPolarHBondContact CA-O 3.35Å; F881-T903 WeakPolarHBondContact CB-O 3.38Å; F881-V904 HydrophobicContact CB-CG2 4.46Å; F881-A910 HydrophobicContact CB-CB 4.28Å; F881-A910 HydrophobicContact CD1-CB 3.92Å; F881-L942 HydrophobicContact CE2-CD1 4.15Å; F881-L942 HydrophobicContact CZ-CD1 4.44Å; F881-L942 HydrophobicContact CZ-CD2 4.13Å; F881-L949 HydrophobicContact CE1-CD2 4.08Å; F881-L949 HydrophobicContact CZ-CD2 4.04Å; F881-L951 HydrophobicContact CE1-CD1 4.04Å; F881-L951 HydrophobicContact CZ-CD1 4.13Å
882	V	79	Confident	66.2	Low	4 Å²	4	71.8 Å²	71.8	2%	0.024	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	136.2	177.6	-175	0	0	0	0	109	T813 V821 F901 V902 T903	T813-V882 HydrophobicContact CG2-CG1 4.46Å; T813-V882 HydrophobicContact CG2-CG2 4.14Å; V821-V882 HydrophobicContact CG2-CG2 4.36Å; V882-F901 CarbonylContact O-C 3.51Å; V882-F901 WeakPolarHBondContact O-CA 3.49Å; V882-V902 PolarHBondContact O-N 3.29Å; V882-T903 PolarHBondContact N-O 3.13Å
883	I	82.1	Confident	63.7	Low	3 Å²	3	68.3 Å²	68.3	2%	0.015	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	136.3	175.8	-66.4	177.8	0	0	0	110	Q811 S812 F881 H899 R900 F901 L922 L938 L942	Q811-I883 WeakPolarHBondContact CA-O 3.08Å; S812-I883 PolarHBondContact N-O 3.46Å; S812-I883 PolarHBondContact O-N 2.83Å; F881-I883 HydrophobicContact CD2-CD1 4.19Å; F881-I883 HydrophobicContact CD2-CG1 3.95Å; F881-I883 HydrophobicContact CE2-CD1 3.68Å; F881-I883 HydrophobicContact CE2-CG1 3.95Å; I883-H899 HydrophobicContact CG2-CB 3.94Å; I883-R900 WeakPolarHBondContact CA-O 3.33Å; I883-F901 HydrophobicContact CD1-CE1 4.34Å; I883-F901 HydrophobicContact CG1-CD1 4.19Å; I883-F901 HydrophobicContact CG1-CE1 4.37Å; I883-L922 HydrophobicContact CD1-CD2 3.53Å; I883-L938 HydrophobicContact CD1-CD2 4.22Å; I883-L938 HydrophobicContact CG2-CD2 4.03Å; I883-L942 HydrophobicContact CD1-CD1 3.76Å
884	A	74.3	Confident	61.5	Low	12 Å²	12	71.3 Å²	71.3	10%	0.099	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	145.5	164.8	0	0	0	0	0	111.8	L809 I810 Q811 H899 R900 V902	L809-A884 HydrophobicContact CD1-CB 4.34Å; I810-A884 WeakPolarHBondContact O-CA 3.45Å; Q811-A884 HydrophobicContact CG-CB 4.07Å; A884-H899 WeakPolarHBondContact O-CA 3.42Å; A884-R900 PolarHBondContact N-O 3.04Å; A884-R900 PolarHBondContact O-N 3.19Å; A884-V902 HydrophobicContact CB-CG2 3.53Å
885	S	73	Confident	59.8	Low	5 Å²	5	68.4 Å²	68.4	4%	0.035	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	166.8	165.5	-52.6	0	0	0	0	109.3	L809 I810 H899 H935	L809-S885 WeakPolarHBondContact CD1-O 3.41Å; I810-S885 PolarHBondContact N-O 3.04Å; I810-S885 PolarHBondContact O-N 3.32Å; I810-S885 VanDerWaalsContact O-O 3.08Å; S885-H899 PolarHBondContact OG-CE1 3.48Å; S885-H899 VanDerWaalsContact OG-CE1 3.29Å; S885-H899 PolarHBondContact OG-ND1 3.18Å; S885-H935 VanDerWaalsContact CB-ND1 3.29Å; S885-H935 WeakPolarHBondContact CB-ND1 3.47Å; S885-H935 PolarHBondContact OG-ND1 3.36Å
886	Q	57.9	Low	58.8	Low	45 Å²	45	70.8 Å²	70.8	21%	0.21	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	102.1	167	-176.5	171.6	-51.3	0	0	108.6	L897	Q886-L897 HydrophobicContact CB-CB 4.29Å; Q886-L897 HydrophobicContact CB-CD1 3.8Å; Q886-L897 HydrophobicContact CG-CD1 4.22Å
887	D	51.5	Low	58.6	Low	49 Å²	49	71.1 Å²	71.1	26%	0.262	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	127.8	174.8	-62.5	-3.3	0	0	0	107.1	S808 I810 H935	S808-D887 PolarHBondContact OG-O 3.33Å; S808-D887 VanDerWaalsContact OG-O 3.07Å; I810-D887 HydrophobicContact CD1-CB 3.86Å; D887-H935 VanDerWaalsContact OD2-CB 3.3Å; D887-H935 WeakPolarHBondContact OD2-CB 3.46Å; D887-H935 PolarHBondContact OD2-N 2.84Å; D887-H935 VanDerWaalsContact OD2-N 3.08Å
888	L	46.9	Very low	58.3	Low	135 Å²	135	69.7 Å²	69.7	71%	0.707	41%	0.408	S	S	*	.			trans	-101.4	119.3	-178.2	-174.4	70	0	0	0	110.3	N890	L888-N890 PolarHBondContact O-N 3.08Å
889	E	44.8	Very low	58.4	Low	175 Å²	175	69.2 Å²	69.2	82%	0.818	40%	0.402	S	S	*	.	S	Bend	trans	-71.2	94.3	173	-72.5	-163.3	130.8	0	0	111.3
890	N	36.3	Very low	58.6	Low	154 Å²	154	73.1 Å²	73.1	82%	0.824	42%	0.417	S	S	*	.	S	Bend	trans	-167.7	137.7	138.2	-101.1	-63	0	0	0	109.9	L888 R892	L888-N890 PolarHBondContact O-N 3.08Å; N890-R892 VanDerWaalsContact C-N 3.31Å; N890-R892 PolarHBondContact O-N 3.07Å
891	G	45.8	Very low	58.8	Low	86 Å²	86	73.1 Å²	73.1	89%	0.887	42%	0.416	S	S	*	.	S	Bend	trans	-76.5	49.1	-161.2	0	0	0	0	0	117.9
892	R	33.9	Very low	58.5	Low	235 Å²	235	74.7 Å²	74.7	89%	0.887	43%	0.426	S	S	*	.	S	Bend	trans	-147.8	131.7	170.3	-74	-166.4	175.8	-166.7	-1.5	113.9	N890	N890-R892 VanDerWaalsContact C-N 3.31Å; N890-R892 PolarHBondContact O-N 3.07Å
893	A	31.7	Very low	58.3	Low	110 Å²	110	76.1 Å²	76.1	91%	0.909	44%	0.435	S	S	*	.			trans	62.9	144.5	165.9	0	0	0	0	0	117.1
894	A	35.3	Very low	58	Low	87 Å²	87	77.5 Å²	77.5	72%	0.719	44%	0.443	S	S	*	.			trans	-89.5	163.2	-163.3	0	0	0	0	0	115
895	S	40.6	Very low	57.7	Low	93 Å²	93	82.3 Å²	82.3	65%	0.65	46%	0.459	S	S	*	.			trans	81.7	141.6	163.8	-157.2	0	0	0	0	117.3
896	L	49.6	Very low	57.1	Low	157 Å²	157	94 Å²	94	82%	0.822	50%	0.502	S	S	*	.				-172.6	-3.6	111.7	-100.7	170.5	0	0	0	116.2
897	L	54.8	Low	57.6	Low	74 Å²	74	94.1 Å²	94.1	39%	0.387	52%	0.515	S	S	.	.			trans	-119.5	124.7	173.8	-79.1	171.1	0	0	0	113.2	W830 Q886	W830-L897 HydrophobicContact CZ3-CD1 4.19Å; Q886-L897 HydrophobicContact CB-CB 4.29Å; Q886-L897 HydrophobicContact CB-CD1 3.8Å; Q886-L897 HydrophobicContact CG-CD1 4.22Å
898	P	65.4	Low	59	Low	21 Å²	21	92.2 Å²	92.2	14%	0.136	51%	0.506	C	S	.	.			trans	-76.7	147.8	-177.4	32.3	-35.6	0	0	0	111.7	R900 R921	P898-R900 PolarHBondContact O-N 3.19Å; P898-R921 HydrophobicContact CB-CG 4.29Å; P898-R921 HydrophobicContact CG-CG 4.07Å
899	H	81.4	Confident	60.7	Low	5 Å²	5	86 Å²	86	2%	0.023	47%	0.474	C	S	.	.			trans	-55.2	121.9	169	-54.4	-41.1	0	0	0	110.5	I883 A884 S885 R921 L922 V930 L933 L938	I883-H899 HydrophobicContact CG2-CB 3.94Å; A884-H899 WeakPolarHBondContact O-CA 3.42Å; S885-H899 PolarHBondContact OG-CE1 3.48Å; S885-H899 VanDerWaalsContact OG-CE1 3.29Å; S885-H899 PolarHBondContact OG-ND1 3.18Å; H899-R921 WeakPolarHBondContact O-CA 3.28Å; H899-L922 HydrophobicContact CB-CB 4.2Å; H899-L922 PolarHBondContact O-N 3.23Å; H899-V930 PolarHBondContact CD2-O 3.41Å; H899-V930 VanDerWaalsContact CD2-O 3.24Å; H899-V930 PolarHBondContact NE2-O 2.9Å; H899-L933 PolarHBondContact CE1-O 2.86Å; H899-L933 VanDerWaalsContact CE1-O 3.28Å; H899-L933 PolarHBondContact NE2-O 2.83Å; H899-L938 HydrophobicContact CB-CD2 4.08Å
900	R	83.3	Confident	62.6	Low	82 Å²	82	77.7 Å²	77.7	31%	0.309	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	140.4	-179.3	-77.5	176	176.9	165.6	-0.4	111.3	I883 A884 P898 V902 D920 R921	I883-R900 WeakPolarHBondContact CA-O 3.33Å; A884-R900 PolarHBondContact N-O 3.04Å; A884-R900 PolarHBondContact O-N 3.19Å; P898-R900 PolarHBondContact O-N 3.19Å; R900-V902 PolarHBondContact O-N 3.38Å; R900-D920 CarbonylContact C-O 3.57Å; R900-D920 VanDerWaalsContact CA-O 3.27Å; R900-D920 WeakPolarHBondContact CA-O 3.27Å; R900-R921 HydrophobicContact CG-CG 4.1Å
901	F	84.1	Confident	64.6	Low	1 Å²	1	72.1 Å²	72.1	0%	0.004	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	121.6	169	-63.7	-83.2	0	0	0	109.2	F881 V882 I883 I916 P918 G919 D920 L922 L951 I953	F881-F901 HydrophobicContact CB-CD1 4.13Å; F881-F901 HydrophobicContact CD1-CE1 4.41Å; F881-F901 AromaticContact CD2-CD1 3.79Å; F881-F901 HydrophobicContact CD2-CD1 3.79Å; F881-F901 AromaticContact CD2-CE1 3.67Å; F881-F901 HydrophobicContact CD2-CE1 3.67Å; F881-F901 HydrophobicContact CE2-CD1 4.42Å; F881-F901 AromaticContact CE2-CE1 3.89Å; F881-F901 HydrophobicContact CE2-CE1 3.89Å; F881-F901 HydrophobicContact CG-CD1 4.02Å; F881-F901 AromaticContact CG-CE1 3.94Å; F881-F901 HydrophobicContact CG-CE1 3.94Å; F881-F901 HydrophobicContact CZ-CE1 4.33Å; V882-F901 CarbonylContact O-C 3.51Å; V882-F901 WeakPolarHBondContact O-CA 3.49Å; I883-F901 HydrophobicContact CD1-CE1 4.34Å; I883-F901 HydrophobicContact CG1-CD1 4.19Å; I883-F901 HydrophobicContact CG1-CE1 4.37Å; F901-I916 HydrophobicContact CB-CG2 4.25Å; F901-I916 HydrophobicContact CD1-CG2 3.65Å; F901-I916 HydrophobicContact CD2-CG2 3.83Å; F901-I916 HydrophobicContact CE1-CD1 4.36Å; F901-I916 HydrophobicContact CE1-CG2 3.83Å; F901-I916 HydrophobicContact CE2-CG2 4.03Å; F901-I916 HydrophobicContact CG-CG2 3.64Å; F901-I916 HydrophobicContact CZ-CD1 4.4Å; F901-I916 HydrophobicContact CZ-CG2 4.01Å; F901-P918 CarbonylContact O-C 3.59Å; F901-P918 WeakPolarHBondContact O-CA 3.31Å; F901-G919 PolarHBondContact O-N 2.83Å; F901-D920 HydrophobicContact CD2-CB 4.05Å; F901-D920 WeakPolarHBondContact CD2-O 3.32Å; F901-D920 PolarHBondContact N-O 2.94Å; F901-L922 HydrophobicContact CE2-CB 3.93Å; F901-L922 HydrophobicContact CE2-CD1 4.39Å; F901-L922 HydrophobicContact CZ-CB 4.15Å; F901-L922 HydrophobicContact CZ-CD1 4.04Å; F901-L951 HydrophobicContact CE1-CD1 4.44Å; F901-L951 HydrophobicContact CZ-CD1 4.2Å; F901-I953 HydrophobicContact CE2-CD1 3.64Å; F901-I953 HydrophobicContact CE2-CG1 3.85Å; F901-I953 HydrophobicContact CE2-CG2 4.06Å; F901-I953 HydrophobicContact CZ-CD1 3.68Å; F901-I953 HydrophobicContact CZ-CG1 4.12Å
902	V	76.3	Confident	66.2	Low	36 Å²	36	74.4 Å²	74.4	22%	0.218	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-28.1	-179.6	-170.8	0	0	0	0	111.5	L823 V882 A884 R900	L823-V902 HydrophobicContact CD1-CB 4.44Å; L823-V902 HydrophobicContact CD1-CG1 3.59Å; V882-V902 PolarHBondContact O-N 3.29Å; A884-V902 HydrophobicContact CB-CG2 3.53Å; R900-V902 PolarHBondContact O-N 3.38Å
903	T	74.4	Confident	68.5	Low	33 Å²	33	64.4 Å²	64.4	20%	0.202	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	145.5	-176.5	-48.5	0	0	0	0	110.3	F881 V882	F881-T903 CarbonylContact C-O 3.53Å; F881-T903 WeakPolarHBondContact CA-O 3.35Å; F881-T903 WeakPolarHBondContact CB-O 3.38Å; V882-T903 PolarHBondContact N-O 3.13Å
904	V	77.5	Confident	70.9	Confident	32 Å²	32	61.8 Å²	61.8	19%	0.194	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	115.2	173.3	-178.6	0	0	0	0	107.5	F881 A910 A911 I916	F881-V904 HydrophobicContact CB-CG2 4.46Å; V904-A910 HydrophobicContact CG1-CB 3.75Å; V904-A911 HydrophobicContact CG1-CB 4.03Å; V904-I916 HydrophobicContact CG2-CB 4.44Å; V904-I916 HydrophobicContact CG2-CG2 4.06Å
905	R	67.4	Low	73	Confident	114 Å²	114	62 Å²	62	43%	0.43	33%	0.332	S	S	.	.			trans	-72.1	127.3	-175	-82.1	176.1	78	-179.8	9.1	110.8	E162 F815 G880 G907 S908 A911	E162-R905 IonicContact OE2-NH2 2.67Å; F815-R905 VanDerWaalsContact CE1-NH1 3.29Å; F815-R905 VanDerWaalsContact CZ-CD 3.4Å; G880-R905 PolarHBondContact O-N 3.09Å; R905-G907 PolarHBondContact O-N 2.91Å; R905-S908 VanDerWaalsContact O-CB 3.23Å; R905-S908 WeakPolarHBondContact O-CB 3.45Å; R905-S908 PolarHBondContact O-N 3.29Å; R905-S908 PolarHBondContact O-OG 2.69Å; R905-A911 WeakPolarHBondContact O-CB 3.3Å
906	R	60.7	Low	75.1	Confident	250 Å²	250	58.1 Å²	58.1	94%	0.943	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	127.7	174.4	-173.6	177.6	-177.6	-178.6	-0.5	110.2
907	G	67.9	Low	76.7	Confident	47 Å²	47	58.8 Å²	58.8	49%	0.485	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	-5.1	-177.9	0	0	0	0	0	115.9	R905 K912	R905-G907 PolarHBondContact O-N 2.91Å; G907-K912 WeakPolarHBondContact O-CE 3.48Å; G907-K912 PolarHBondContact O-NZ 2.92Å
908	S	80.9	Confident	77.9	Confident	10 Å²	10	59.2 Å²	59.2	7%	0.07	30%	0.302	C	S	.	.	S	Bend	trans	-70.9	165.9	173.2	77.8	0	0	0	0	112.8	F879 G880 R905 A910 A911 K912	F879-S908 PolarHBondContact O-OG 3.45Å; G880-S908 PolarHBondContact O-OG 3.41Å; G880-S908 VanDerWaalsContact O-OG 3.05Å; R905-S908 VanDerWaalsContact O-CB 3.23Å; R905-S908 WeakPolarHBondContact O-CB 3.45Å; R905-S908 PolarHBondContact O-N 3.29Å; R905-S908 PolarHBondContact O-OG 2.69Å; S908-A910 PolarHBondContact O-N 2.93Å; S908-A910 PolarHBondContact OG-N 3.16Å; S908-A911 PolarHBondContact O-N 3.21Å; S908-A911 VanDerWaalsContact O-N 3.13Å; S908-A911 PolarHBondContact OG-N 2.88Å; S908-A911 VanDerWaalsContact OG-N 3.13Å; S908-K912 WeakPolarHBondContact O-CB 3.44Å; S908-K912 WeakPolarHBondContact O-CD 3.35Å; S908-K912 WeakPolarHBondContact O-CG 3.44Å; S908-K912 PolarHBondContact O-N 3Å
909	P	82.6	Confident	78.4	Confident	5 Å²	5	59 Å²	59	3%	0.032	30%	0.304	C	S	.	.	H	α-helix	trans	-49.7	-42.9	168.5	-30.2	38.7	0	0	0	113.3	L871 R872 R873 E877 G878 F879 K912 S913	L871-P909 HydrophobicContact CB-CB 4.38Å; R872-P909 WeakPolarHBondContact O-CB 3.3Å; R873-P909 HydrophobicContact CB-CG 3.83Å; E877-P909 HydrophobicContact CG-CG 4.44Å; E877-P909 WeakPolarHBondContact OE1-CD 3.44Å; G878-P909 WeakPolarHBondContact O-CD 3.19Å; F879-P909 HydrophobicContact CD1-CB 4.38Å; P909-K912 PolarHBondContact O-N 3.39Å; P909-S913 PolarHBondContact O-N 2.81Å
910	A	84.3	Confident	78.6	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-65.2	-40.9	176.5	0	0	0	0	0	113.1	L871 F879 F881 V904 S908 S913 I916	L871-A910 HydrophobicContact CD1-CB 4.05Å; L871-A910 HydrophobicContact CD2-CB 4.45Å; F879-A910 WeakPolarHBondContact O-CB 3.35Å; F879-A910 PolarHBondContact O-N 3.06Å; F879-A910 VanDerWaalsContact O-N 3.14Å; F881-A910 HydrophobicContact CB-CB 4.28Å; F881-A910 HydrophobicContact CD1-CB 3.92Å; V904-A910 HydrophobicContact CG1-CB 3.75Å; S908-A910 PolarHBondContact O-N 2.93Å; S908-A910 PolarHBondContact OG-N 3.16Å; A910-S913 PolarHBondContact O-N 2.65Å; A910-S913 PolarHBondContact O-OG 3.28Å; A910-I916 HydrophobicContact CB-CD1 4.12Å
911	A	78.6	Confident	78.8	Confident	36 Å²	36	60 Å²	60	30%	0.298	31%	0.308	S	S	.	.	H	α-helix	trans	-68.2	-39.4	173.6	0	0	0	0	0	112.5	V904 R905 S908 S913 G914	V904-A911 HydrophobicContact CG1-CB 4.03Å; R905-A911 WeakPolarHBondContact O-CB 3.3Å; S908-A911 PolarHBondContact O-N 3.21Å; S908-A911 VanDerWaalsContact O-N 3.13Å; S908-A911 PolarHBondContact OG-N 2.88Å; S908-A911 VanDerWaalsContact OG-N 3.13Å; A911-S913 PolarHBondContact O-N 3.12Å; A911-G914 PolarHBondContact O-N 2.86Å; A911-G914 VanDerWaalsContact O-N 3.15Å
912	K	79.8	Confident	79	Confident	134 Å²	134	60.1 Å²	60.1	58%	0.583	31%	0.308	S	S	*	.	H	α-helix	trans	-60.6	-30.3	176.1	-71.7	159.3	176.6	138.9	0	111.9	E877 G907 S908 P909 G914	E877-K912 IonicContact OE1-NZ 2.68Å; E877-K912 PolarHBondContact OE1-NZ 3.46Å; G907-K912 WeakPolarHBondContact O-CE 3.48Å; G907-K912 PolarHBondContact O-NZ 2.92Å; S908-K912 WeakPolarHBondContact O-CB 3.44Å; S908-K912 WeakPolarHBondContact O-CD 3.35Å; S908-K912 WeakPolarHBondContact O-CG 3.44Å; S908-K912 PolarHBondContact O-N 3Å; P909-K912 PolarHBondContact O-N 3.39Å; K912-G914 VanDerWaalsContact C-N 3.3Å; K912-G914 PolarHBondContact O-N 2.85Å
913	S	82.9	Confident	79.5	Confident	25 Å²	25	62 Å²	62	18%	0.175	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-25.7	176.4	79.5	0	0	0	0	114.2	P909 A910 A911 Q915	P909-S913 PolarHBondContact O-N 2.81Å; A910-S913 PolarHBondContact O-N 2.65Å; A910-S913 PolarHBondContact O-OG 3.28Å; A911-S913 PolarHBondContact O-N 3.12Å; S913-Q915 WeakPolarHBondContact O-CG 3.49Å; S913-Q915 PolarHBondContact O-N 2.81Å; S913-Q915 PolarHBondContact O-NE2 3.49Å; S913-Q915 PolarHBondContact OG-N 3.49Å
914	G	81.3	Confident	80	Confident	55 Å²	55	60.9 Å²	60.9	57%	0.567	31%	0.309	S	S	*	.	S	Bend	trans	64.6	-3.2	-172	0	0	0	0	0	115.8	A911 K912	A911-G914 PolarHBondContact O-N 2.86Å; A911-G914 VanDerWaalsContact O-N 3.15Å; K912-G914 VanDerWaalsContact C-N 3.3Å; K912-G914 PolarHBondContact O-N 2.85Å
915	Q	79.8	Confident	80.5	Confident	93 Å²	93	59.4 Å²	59.4	44%	0.435	30%	0.3	S	S	.	.			trans	-102.1	-18.7	-163.7	-80.8	163.2	73	0	0	114.3	F867 V869 S913	F867-Q915 HydrophobicContact CE2-CB 4.15Å; F867-Q915 WeakPolarHBondContact CZ-O 3.49Å; V869-Q915 HydrophobicContact CG1-CB 4.06Å; V869-Q915 HydrophobicContact CG2-CB 3.8Å; S913-Q915 WeakPolarHBondContact O-CG 3.49Å; S913-Q915 PolarHBondContact O-N 2.81Å; S913-Q915 PolarHBondContact O-NE2 3.49Å; S913-Q915 PolarHBondContact OG-N 3.49Å
916	I	84.7	Confident	81.3	Confident	10 Å²	10	57.9 Å²	57.9	5%	0.051	30%	0.298	C	S	.	.			trans	-104.2	128.3	-178.4	-48	-170.2	0	0	0	109.9	V869 L871 F901 V904 A910 L951 I953	V869-I916 HydrophobicContact CG1-CD1 4.24Å; V869-I916 HydrophobicContact CG1-CG1 4.16Å; V869-I916 HydrophobicContact CG2-CG1 4.44Å; L871-I916 HydrophobicContact CD1-CD1 3.85Å; L871-I916 HydrophobicContact CD2-CD1 4.07Å; L871-I916 HydrophobicContact CG-CD1 4.31Å; F901-I916 HydrophobicContact CB-CG2 4.25Å; F901-I916 HydrophobicContact CD1-CG2 3.65Å; F901-I916 HydrophobicContact CD2-CG2 3.83Å; F901-I916 HydrophobicContact CE1-CD1 4.36Å; F901-I916 HydrophobicContact CE1-CG2 3.83Å; F901-I916 HydrophobicContact CE2-CG2 4.03Å; F901-I916 HydrophobicContact CG-CG2 3.64Å; F901-I916 HydrophobicContact CZ-CD1 4.4Å; F901-I916 HydrophobicContact CZ-CG2 4.01Å; V904-I916 HydrophobicContact CG2-CB 4.44Å; V904-I916 HydrophobicContact CG2-CG2 4.06Å; A910-I916 HydrophobicContact CB-CD1 4.12Å; I916-L951 HydrophobicContact CD1-CD1 3.97Å; I916-I953 HydrophobicContact CB-CD1 4.38Å; I916-I953 HydrophobicContact CD1-CD1 3.67Å; I916-I953 HydrophobicContact CG1-CD1 3.59Å; I916-I953 HydrophobicContact CG2-CD1 4.21Å
917	R	82.2	Confident	82	Confident	171 Å²	171	49.4 Å²	49.4	65%	0.645	29%	0.288	S	S	*	.			trans	-122.8	149.9	178.7	-53	-175.9	178.1	-146	-2.7	112.2	G919 D920	R917-G919 PolarHBondContact O-N 2.87Å; R917-D920 WeakPolarHBondContact CA-OD2 3.47Å; R917-D920 VanDerWaalsContact CB-OD2 3.29Å; R917-D920 WeakPolarHBondContact CB-OD2 3.14Å; R917-D920 PolarHBondContact N-OD2 3.13Å; R917-D920 WeakPolarHBondContact O-CB 3.44Å; R917-D920 PolarHBondContact O-N 3.18Å
918	P	81.1	Confident	82.6	Confident	84 Å²	84	55.8 Å²	55.8	55%	0.545	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	128.7	167	-25.2	35.8	0	0	0	111.5	F901	F901-P918 CarbonylContact O-C 3.59Å; F901-P918 WeakPolarHBondContact O-CA 3.31Å
919	G	75.4	Confident	82.7	Confident	16 Å²	16	58.9 Å²	58.9	17%	0.165	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	101.8	-17.4	-176	0	0	0	0	0	115	F901 R917	F901-G919 PolarHBondContact O-N 2.83Å; R917-G919 PolarHBondContact O-N 2.87Å
920	D	86.3	Confident	82.6	Confident	9 Å²	9	58.7 Å²	58.7	5%	0.048	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-67.9	152.6	177.7	-66.5	-26.6	0	0	0	111.8	R900 F901 R917 I953 P955 R956	R900-D920 CarbonylContact C-O 3.57Å; R900-D920 VanDerWaalsContact CA-O 3.27Å; R900-D920 WeakPolarHBondContact CA-O 3.27Å; F901-D920 HydrophobicContact CD2-CB 4.05Å; F901-D920 WeakPolarHBondContact CD2-O 3.32Å; F901-D920 PolarHBondContact N-O 2.94Å; R917-D920 WeakPolarHBondContact CA-OD2 3.47Å; R917-D920 VanDerWaalsContact CB-OD2 3.29Å; R917-D920 WeakPolarHBondContact CB-OD2 3.14Å; R917-D920 PolarHBondContact N-OD2 3.13Å; R917-D920 WeakPolarHBondContact O-CB 3.44Å; R917-D920 PolarHBondContact O-N 3.18Å; D920-I953 HydrophobicContact CB-CG2 3.82Å; D920-P955 VanDerWaalsContact OD1-CA 3.3Å; D920-P955 WeakPolarHBondContact OD1-CA 3.49Å; D920-R956 PolarHBondContact OD1-N 2.85Å
921	R	86.6	Confident	82.2	Confident	100 Å²	100	60.8 Å²	60.8	38%	0.377	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	134.9	179.1	-67.4	171.2	59.3	163.3	0.7	110.8	P898 H899 R900 I953 V954	P898-R921 HydrophobicContact CB-CG 4.29Å; P898-R921 HydrophobicContact CG-CG 4.07Å; H899-R921 WeakPolarHBondContact O-CA 3.28Å; R900-R921 HydrophobicContact CG-CG 4.1Å; R921-I953 CarbonylContact O-C 2.94Å; R921-I953 WeakPolarHBondContact O-CA 3.34Å; R921-V954 HydrophobicContact CB-CB 4.25Å; R921-V954 PolarHBondContact N-O 3Å; R921-V954 PolarHBondContact O-N 3.28Å
922	L	88.3	Confident	81.8	Confident	2 Å²	2	64 Å²	64	1%	0.01	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	126.6	167.6	-179.9	63.6	0	0	0	109.8	I883 H899 F901 A924 V925 V930 L938 L951 I953	I883-L922 HydrophobicContact CD1-CD2 3.53Å; H899-L922 HydrophobicContact CB-CB 4.2Å; H899-L922 PolarHBondContact O-N 3.23Å; F901-L922 HydrophobicContact CE2-CB 3.93Å; F901-L922 HydrophobicContact CE2-CD1 4.39Å; F901-L922 HydrophobicContact CZ-CB 4.15Å; F901-L922 HydrophobicContact CZ-CD1 4.04Å; L922-A924 WeakPolarHBondContact CD1-O 3.12Å; L922-V925 HydrophobicContact CD1-CG2 4.14Å; L922-V925 HydrophobicContact CD2-CG2 3.76Å; L922-V925 HydrophobicContact CG-CG2 4.28Å; L922-V930 HydrophobicContact CD2-CG2 3.92Å; L922-V930 HydrophobicContact CG-CG2 3.75Å; L922-L938 HydrophobicContact CD2-CD1 3.95Å; L922-L938 HydrophobicContact CD2-CD2 4.36Å; L922-L951 HydrophobicContact CD1-CB 4.05Å; L922-L951 HydrophobicContact CD1-CD2 3.93Å; L922-L951 HydrophobicContact CD1-CG 4.49Å; L922-I953 HydrophobicContact CD1-CG1 4.49Å
923	E	86.3	Confident	81.5	Confident	75 Å²	75	59.7 Å²	59.7	35%	0.35	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-45.9	-179.5	-175.8	167.8	-141.7	0	0	111.8	V930 V931 T952 V954	E923-V930 PolarHBondContact O-N 2.9Å; E923-V931 HydrophobicContact CB-CG2 4.46Å; E923-V931 HydrophobicContact CG-CG2 4.1Å; E923-V931 WeakPolarHBondContact O-CG2 3.37Å; E923-T952 HydrophobicContact CB-CG2 4.38Å; E923-T952 WeakPolarHBondContact CB-O 3.41Å; E923-T952 PolarHBondContact N-O 3.21Å; E923-V954 HydrophobicContact CB-CG2 4.2Å; E923-V954 VanDerWaalsContact OE2-CG2 3.3Å; E923-V954 WeakPolarHBondContact OE2-CG2 3.25Å
924	A	86	Confident	81	Confident	10 Å²	10	61.1 Å²	61.1	8%	0.083	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	157.1	179.7	0	0	0	0	0	113.3	L922 R928 L951 T952	L922-A924 WeakPolarHBondContact CD1-O 3.12Å; A924-R928 CarbonylContact C-O 3.54Å; A924-R928 WeakPolarHBondContact CA-O 3.31Å; A924-R928 VanDerWaalsContact CB-O 3.26Å; A924-R928 WeakPolarHBondContact CB-O 3.28Å; A924-L951 WeakPolarHBondContact O-CA 3.48Å; A924-T952 PolarHBondContact N-O 3.49Å; A924-T952 PolarHBondContact O-N 3.05Å
925	V	87.3	Confident	80.7	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.006	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	127.1	176.4	-179.6	0	0	0	0	108.7	L922 G927 R928 V930 L938 I941 L942 L949 L951	L922-V925 HydrophobicContact CD1-CG2 4.14Å; L922-V925 HydrophobicContact CD2-CG2 3.76Å; L922-V925 HydrophobicContact CG-CG2 4.28Å; V925-G927 PolarHBondContact O-N 2.87Å; V925-R928 PolarHBondContact N-O 2.96Å; V925-R928 WeakPolarHBondContact O-CB 2.73Å; V925-R928 PolarHBondContact O-N 3.47Å; V925-V930 HydrophobicContact CB-CG1 3.83Å; V925-V930 HydrophobicContact CG2-CG1 3.63Å; V925-V930 HydrophobicContact CG2-CG2 4.1Å; V925-L938 HydrophobicContact CG2-CD1 3.95Å; V925-I941 HydrophobicContact CB-CG2 4.21Å; V925-I941 HydrophobicContact CG1-CG2 3.62Å; V925-L942 HydrophobicContact CG1-CD2 4.01Å; V925-L942 HydrophobicContact CG2-CD2 4.13Å; V925-L949 HydrophobicContact CG1-CD1 3.66Å; V925-L951 HydrophobicContact CB-CD2 4.37Å; V925-L951 HydrophobicContact CG1-CD2 4.16Å; V925-L951 HydrophobicContact CG2-CD2 3.8Å
926	E	83.6	Confident	80.5	Confident	83 Å²	83	63.8 Å²	63.8	39%	0.388	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	40.2	-172.6	-60.9	-52	141.6	0	0	113.2	R928 L949 R950	E926-R928 PolarHBondContact O-N 2.83Å; E926-R928 VanDerWaalsContact O-N 3.16Å; E926-L949 VanDerWaalsContact OE1-CA 3.24Å; E926-L949 WeakPolarHBondContact OE1-CA 3.17Å; E926-R950 PolarHBondContact N-O 3.35Å; E926-R950 PolarHBondContact OE1-N 2.91Å
927	G	76.5	Confident	79.9	Confident	72 Å²	72	67.9 Å²	67.9	74%	0.742	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	0.5	-176.7	0	0	0	0	0	115.3	V925	V925-G927 PolarHBondContact O-N 2.87Å
928	R	80.9	Confident	79.9	Confident	180 Å²	180	59.9 Å²	59.9	68%	0.679	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	122.4	175.2	-55.6	-178.5	-177.4	-163.6	-1.7	109.3	A924 V925 E926 V930	A924-R928 CarbonylContact C-O 3.54Å; A924-R928 WeakPolarHBondContact CA-O 3.31Å; A924-R928 VanDerWaalsContact CB-O 3.26Å; A924-R928 WeakPolarHBondContact CB-O 3.28Å; V925-R928 PolarHBondContact N-O 2.96Å; V925-R928 WeakPolarHBondContact O-CB 2.73Å; V925-R928 PolarHBondContact O-N 3.47Å; E926-R928 PolarHBondContact O-N 2.83Å; E926-R928 VanDerWaalsContact O-N 3.16Å; R928-V930 PolarHBondContact O-N 2.65Å
929	S	81.8	Confident	79.6	Confident	76 Å²	76	56.2 Å²	56.2	53%	0.531	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	130.9	172.8	-178.9	0	0	0	0	110
930	V	81.4	Confident	79.5	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.301	C	S	.	.			trans	-111	-8.2	178.6	-60.9	0	0	0	0	113.2	H899 L922 E923 V925 R928 T932 L933 L938	H899-V930 PolarHBondContact CD2-O 3.41Å; H899-V930 VanDerWaalsContact CD2-O 3.24Å; H899-V930 PolarHBondContact NE2-O 2.9Å; L922-V930 HydrophobicContact CD2-CG2 3.92Å; L922-V930 HydrophobicContact CG-CG2 3.75Å; E923-V930 PolarHBondContact O-N 2.9Å; V925-V930 HydrophobicContact CB-CG1 3.83Å; V925-V930 HydrophobicContact CG2-CG1 3.63Å; V925-V930 HydrophobicContact CG2-CG2 4.1Å; R928-V930 PolarHBondContact O-N 2.65Å; V930-T932 PolarHBondContact O-N 3.07Å; V930-L933 HydrophobicContact CB-CD1 4.03Å; V930-L933 HydrophobicContact CB-CG 4.49Å; V930-L933 HydrophobicContact CG1-CD1 3.81Å; V930-L933 PolarHBondContact O-N 2.97Å; V930-L938 HydrophobicContact CB-CD1 4.05Å; V930-L938 HydrophobicContact CG1-CD1 3.98Å; V930-L938 HydrophobicContact CG2-CD1 4.15Å
931	V	75.1	Confident	79.2	Confident	44 Å²	44	60.4 Å²	60.4	27%	0.267	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-26.8	-172.3	-175.2	0	0	0	0	114.4	E923	E923-V931 HydrophobicContact CB-CG2 4.46Å; E923-V931 HydrophobicContact CG-CG2 4.1Å; E923-V931 WeakPolarHBondContact O-CG2 3.37Å
932	T	70.4	Confident	79	Confident	105 Å²	105	56.2 Å²	56.2	64%	0.644	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	10.7	-178.5	60.8	0	0	0	0	114.1	V930	V930-T932 PolarHBondContact O-N 3.07Å
933	L	73.7	Confident	78.3	Confident	42 Å²	42	61.5 Å²	61.5	22%	0.22	32%	0.315	C	S	.	.	S	Bend	trans	-84	142.6	178.9	-65.9	-178.1	0	0	0	111.2	H899 V930 I941	H899-L933 PolarHBondContact CE1-O 2.86Å; H899-L933 VanDerWaalsContact CE1-O 3.28Å; H899-L933 PolarHBondContact NE2-O 2.83Å; V930-L933 HydrophobicContact CB-CD1 4.03Å; V930-L933 HydrophobicContact CB-CG 4.49Å; V930-L933 HydrophobicContact CG1-CD1 3.81Å; V930-L933 PolarHBondContact O-N 2.97Å; L933-I941 HydrophobicContact CD1-CD1 3.59Å
934	P	73.4	Confident	77.7	Confident	55 Å²	55	67.6 Å²	67.6	36%	0.357	33%	0.334	S	S	.	.			trans	-65	147.3	171.8	29	-34.1	0	0	0	110	R936 E937 L938	P934-R936 PolarHBondContact O-N 3.29Å; P934-E937 HydrophobicContact CG-CB 4.09Å; P934-E937 HydrophobicContact CG-CG 3.87Å; P934-E937 WeakPolarHBondContact CG-OE1 3.44Å; P934-E937 PolarHBondContact O-N 2.62Å; P934-L938 PolarHBondContact O-N 2.88Å
935	H	73.8	Confident	77.1	Confident	8 Å²	8	67.7 Å²	67.7	4%	0.037	34%	0.335	C	S	.	.	H	α-helix	trans	-54.1	-35.9	-172.6	-175.3	91	0	0	0	113.2	I810 Q811 S812 S885 D887 E937 A939	I810-H935 HydrophobicContact CB-CB 4.48Å; I810-H935 WeakPolarHBondContact CG2-CD2 3.35Å; I810-H935 PolarHBondContact O-CE1 3.49Å; Q811-H935 VanDerWaalsContact C-CE1 3.48Å; S812-H935 WeakPolarHBondContact CB-NE2 3.48Å; S812-H935 PolarHBondContact N-CE1 3.27Å; S812-H935 VanDerWaalsContact N-CE1 3.28Å; S812-H935 PolarHBondContact N-NE2 2.9Å; S812-H935 PolarHBondContact OG-CD2 2.81Å; S812-H935 PolarHBondContact OG-NE2 3.21Å; S885-H935 VanDerWaalsContact CB-ND1 3.29Å; S885-H935 WeakPolarHBondContact CB-ND1 3.47Å; S885-H935 PolarHBondContact OG-ND1 3.36Å; D887-H935 VanDerWaalsContact OD2-CB 3.3Å; D887-H935 WeakPolarHBondContact OD2-CB 3.46Å; D887-H935 PolarHBondContact OD2-N 2.84Å; D887-H935 VanDerWaalsContact OD2-N 3.08Å; H935-E937 VanDerWaalsContact C-N 3.3Å; H935-E937 PolarHBondContact O-N 3.03Å; H935-A939 WeakPolarHBondContact O-CB 3.45Å; H935-A939 PolarHBondContact O-N 2.84Å
936	R	74.9	Confident	76.6	Confident	196 Å²	196	69.9 Å²	69.9	74%	0.74	36%	0.358	S	S	*	.	H	α-helix	trans	-60.8	-32.1	177.1	-175.6	179	178.3	-174.3	0.4	113.9	P934 Q940	P934-R936 PolarHBondContact O-N 3.29Å; R936-Q940 WeakPolarHBondContact O-CG 3.37Å; R936-Q940 PolarHBondContact O-N 2.91Å; R936-Q940 PolarHBondContact O-NE2 3.44Å; R936-Q940 VanDerWaalsContact O-NE2 3.07Å
937	E	73.4	Confident	76.5	Confident	97 Å²	97	69.8 Å²	69.8	45%	0.453	36%	0.36	S	S	.	.	H	α-helix	trans	-84.3	-44.3	-179.9	-74.8	176.6	-147	0	0	111.4	P934 H935 A939 Q940 I941	P934-E937 HydrophobicContact CG-CB 4.09Å; P934-E937 HydrophobicContact CG-CG 3.87Å; P934-E937 WeakPolarHBondContact CG-OE1 3.44Å; P934-E937 PolarHBondContact O-N 2.62Å; H935-E937 VanDerWaalsContact C-N 3.3Å; H935-E937 PolarHBondContact O-N 3.03Å; E937-A939 VanDerWaalsContact C-N 3.27Å; E937-A939 PolarHBondContact O-N 3.23Å; E937-Q940 WeakPolarHBondContact O-CA 3.18Å; E937-Q940 WeakPolarHBondContact O-CB 3.38Å; E937-Q940 PolarHBondContact O-N 3.22Å; E937-I941 WeakPolarHBondContact O-CG1 3.43Å; E937-I941 PolarHBondContact O-N 2.87Å
938	L	81.3	Confident	76.9	Confident	3 Å²	3	68.7 Å²	68.7	2%	0.016	34%	0.339	C	S	.	.	H	α-helix	trans	-52.6	-47.8	171.6	173.7	61.9	0	0	0	111.2	I883 H899 L922 V925 V930 P934 Q940 I941 L942	I883-L938 HydrophobicContact CD1-CD2 4.22Å; I883-L938 HydrophobicContact CG2-CD2 4.03Å; H899-L938 HydrophobicContact CB-CD2 4.08Å; L922-L938 HydrophobicContact CD2-CD1 3.95Å; L922-L938 HydrophobicContact CD2-CD2 4.36Å; V925-L938 HydrophobicContact CG2-CD1 3.95Å; V930-L938 HydrophobicContact CB-CD1 4.05Å; V930-L938 HydrophobicContact CG1-CD1 3.98Å; V930-L938 HydrophobicContact CG2-CD1 4.15Å; P934-L938 PolarHBondContact O-N 2.88Å; L938-Q940 PolarHBondContact O-N 3.36Å; L938-I941 PolarHBondContact O-N 3.33Å; L938-L942 HydrophobicContact CD1-CD1 3.85Å; L938-L942 HydrophobicContact CD1-CG 4.06Å; L938-L942 HydrophobicContact CG-CD1 3.94Å; L938-L942 WeakPolarHBondContact O-CG 3.36Å; L938-L942 PolarHBondContact O-N 3.16Å
939	A	76.4	Confident	77.3	Confident	6 Å²	6	60.1 Å²	60.1	5%	0.05	31%	0.307	C	S	.	.	H	α-helix	trans	-64.1	-26.9	177.5	0	0	0	0	0	113.1	S812 H935 E937 R943	S812-A939 WeakPolarHBondContact OG-CB 3.48Å; H935-A939 WeakPolarHBondContact O-CB 3.45Å; H935-A939 PolarHBondContact O-N 2.84Å; E937-A939 VanDerWaalsContact C-N 3.27Å; E937-A939 PolarHBondContact O-N 3.23Å; A939-R943 WeakPolarHBondContact O-CB 3.26Å; A939-R943 WeakPolarHBondContact O-CG 3.18Å; A939-R943 PolarHBondContact O-N 2.76Å; A939-R943 PolarHBondContact O-NE 3.23Å; A939-R943 PolarHBondContact O-NH2 2.86Å
940	Q	73.1	Confident	77.5	Confident	67 Å²	67	62.4 Å²	62.4	31%	0.313	30%	0.304	S	S	.	.	H	α-helix	trans	-75.1	-41.9	171.9	-77.8	174.3	70.9	0	0	112.2	R936 E937 L938 L942 R943 R944	R936-Q940 WeakPolarHBondContact O-CG 3.37Å; R936-Q940 PolarHBondContact O-N 2.91Å; R936-Q940 PolarHBondContact O-NE2 3.44Å; R936-Q940 VanDerWaalsContact O-NE2 3.07Å; E937-Q940 WeakPolarHBondContact O-CA 3.18Å; E937-Q940 WeakPolarHBondContact O-CB 3.38Å; E937-Q940 PolarHBondContact O-N 3.22Å; L938-Q940 PolarHBondContact O-N 3.36Å; Q940-L942 PolarHBondContact O-N 2.86Å; Q940-R943 PolarHBondContact O-N 2.68Å; Q940-R944 WeakPolarHBondContact O-CB 3.3Å; Q940-R944 WeakPolarHBondContact O-CG 3.32Å; Q940-R944 PolarHBondContact O-N 2.95Å
941	I	80.1	Confident	78	Confident	46 Å²	46	62.4 Å²	62.4	24%	0.236	30%	0.304	C	S	.	.	H	α-helix	trans	-59.1	-48.7	176.1	-64	167.4	0	0	0	109.7	V925 L933 E937 L938 R943 R944 A945	V925-I941 HydrophobicContact CB-CG2 4.21Å; V925-I941 HydrophobicContact CG1-CG2 3.62Å; L933-I941 HydrophobicContact CD1-CD1 3.59Å; E937-I941 WeakPolarHBondContact O-CG1 3.43Å; E937-I941 PolarHBondContact O-N 2.87Å; L938-I941 PolarHBondContact O-N 3.33Å; I941-R943 VanDerWaalsContact C-N 3.33Å; I941-R943 PolarHBondContact O-N 2.95Å; I941-R944 PolarHBondContact O-N 2.93Å; I941-A945 PolarHBondContact O-N 2.73Å
942	L	81.1	Confident	78.7	Confident	12 Å²	12	61.6 Å²	61.6	6%	0.063	30%	0.299	C	S	.	.	H	α-helix	trans	-65.5	-30.3	-179.1	-67.4	173.2	0	0	0	114.1	F881 I883 V925 L938 Q940 L949 L951	F881-L942 HydrophobicContact CE2-CD1 4.15Å; F881-L942 HydrophobicContact CZ-CD1 4.44Å; F881-L942 HydrophobicContact CZ-CD2 4.13Å; I883-L942 HydrophobicContact CD1-CD1 3.76Å; V925-L942 HydrophobicContact CG1-CD2 4.01Å; V925-L942 HydrophobicContact CG2-CD2 4.13Å; L938-L942 HydrophobicContact CD1-CD1 3.85Å; L938-L942 HydrophobicContact CD1-CG 4.06Å; L938-L942 HydrophobicContact CG-CD1 3.94Å; L938-L942 WeakPolarHBondContact O-CG 3.36Å; L938-L942 PolarHBondContact O-N 3.16Å; Q940-L942 PolarHBondContact O-N 2.86Å; L942-L949 HydrophobicContact CD2-CD1 4.02Å; L942-L949 HydrophobicContact CD2-CD2 3.88Å; L942-L951 HydrophobicContact CD2-CD2 4.18Å
943	R	73.4	Confident	79.6	Confident	114 Å²	114	56.6 Å²	56.6	43%	0.43	27%	0.268	S	S	.	.	H	α-helix	trans	-79.9	-30.5	173.8	-76.9	176.3	-67.8	-151.2	-1.3	113.2	A939 Q940 I941	A939-R943 WeakPolarHBondContact O-CB 3.26Å; A939-R943 WeakPolarHBondContact O-CG 3.18Å; A939-R943 PolarHBondContact O-N 2.76Å; A939-R943 PolarHBondContact O-NE 3.23Å; A939-R943 PolarHBondContact O-NH2 2.86Å; Q940-R943 PolarHBondContact O-N 2.68Å; I941-R943 VanDerWaalsContact C-N 3.33Å; I941-R943 PolarHBondContact O-N 2.95Å
944	R	73.9	Confident	80.2	Confident	202 Å²	202	55.3 Å²	55.3	76%	0.762	26%	0.262	S	S	*	.	H	α-helix	trans	-82.4	-15.5	176.5	-71.7	178.9	179.1	179.6	2.2	113.8	Q940 I941	Q940-R944 WeakPolarHBondContact O-CB 3.3Å; Q940-R944 WeakPolarHBondContact O-CG 3.32Å; Q940-R944 PolarHBondContact O-N 2.95Å; I941-R944 PolarHBondContact O-N 2.93Å
945	A	74.2	Confident	80.5	Confident	13 Å²	13	55 Å²	55	11%	0.107	26%	0.26	C	S	.	.			trans	-57.4	143.3	171.2	0	0	0	0	0	111	R873 F879 I941 L949	R873-A945 PolarHBondContact NH2-O 2.94Å; F879-A945 HydrophobicContact CE2-CB 4.28Å; I941-A945 PolarHBondContact O-N 2.73Å; A945-L949 HydrophobicContact CB-CB 4.41Å; A945-L949 HydrophobicContact CB-CD1 3.81Å
946	G	75.9	Confident	80.5	Confident	46 Å²	46	60.6 Å²	60.6	47%	0.474	28%	0.281	S	S	.	.			trans	-75.3	-145.6	-173.8	0	0	0	0	0	113.7	R873 F879 T948	R873-G946 PolarHBondContact NE-O 3.18Å; R873-G946 PolarHBondContact NH2-O 3.42Å; R873-G946 VanDerWaalsContact NH2-O 3.17Å; F879-G946 WeakPolarHBondContact CZ-O 3.45Å; G946-T948 PolarHBondContact O-N 3.17Å
947	N	82.2	Confident	79.3	Confident	81 Å²	81	55.5 Å²	55.5	43%	0.433	27%	0.273	S	S	.	.	S	Bend	trans	-78.9	-7.1	172.7	-66.6	-26.4	0	0	0	113.2	R872 R873	R872-N947 WeakPolarHBondContact CA-O 3.27Å; R873-N947 HydrophobicContact CG-CB 4.42Å; R873-N947 WeakPolarHBondContact CG-O 3.43Å; R873-N947 PolarHBondContact N-O 2.87Å
948	T	84.4	Confident	77.8	Confident	50 Å²	50	54.4 Å²	54.4	31%	0.307	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	146	169.5	-58.4	0	0	0	0	108.6	E870 L871 R872 G946 R950	E870-T948 HydrophobicContact CG-CG2 3.54Å; L871-T948 CarbonylContact O-C 3.59Å; L871-T948 WeakPolarHBondContact O-CA 3.33Å; R872-T948 HydrophobicContact CG-CG2 4.14Å; G946-T948 PolarHBondContact O-N 3.17Å; T948-R950 HydrophobicContact CG2-CG 4.46Å
949	L	88.9	Confident	75.8	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	125.4	176.7	170	64.6	0	0	0	110.1	L871 F879 F881 V925 E926 L942 A945 L951	L871-L949 PolarHBondContact N-O 3.21Å; L871-L949 PolarHBondContact O-N 3.1Å; F879-L949 HydrophobicContact CB-CD2 4.3Å; F879-L949 HydrophobicContact CD1-CB 3.98Å; F879-L949 HydrophobicContact CD1-CD2 4.04Å; F879-L949 HydrophobicContact CD2-CB 4.32Å; F879-L949 HydrophobicContact CD2-CD2 3.48Å; F879-L949 VanDerWaalsContact CD2-CD2 3.48Å; F879-L949 HydrophobicContact CE1-CB 3.39Å; F879-L949 HydrophobicContact CE1-CD2 4.2Å; F879-L949 HydrophobicContact CE1-CG 4.45Å; F879-L949 HydrophobicContact CE2-CB 3.78Å; F879-L949 HydrophobicContact CE2-CD2 3.66Å; F879-L949 HydrophobicContact CE2-CG 4.31Å; F879-L949 HydrophobicContact CG-CB 4.41Å; F879-L949 HydrophobicContact CG-CD2 3.67Å; F879-L949 HydrophobicContact CZ-CB 3.27Å; F879-L949 HydrophobicContact CZ-CD2 4.02Å; F879-L949 HydrophobicContact CZ-CG 4.27Å; F881-L949 HydrophobicContact CE1-CD2 4.08Å; F881-L949 HydrophobicContact CZ-CD2 4.04Å; V925-L949 HydrophobicContact CG1-CD1 3.66Å; E926-L949 VanDerWaalsContact OE1-CA 3.24Å; E926-L949 WeakPolarHBondContact OE1-CA 3.17Å; L942-L949 HydrophobicContact CD2-CD1 4.02Å; L942-L949 HydrophobicContact CD2-CD2 3.88Å; A945-L949 HydrophobicContact CB-CB 4.41Å; A945-L949 HydrophobicContact CB-CD1 3.81Å; L949-L951 HydrophobicContact CD1-CD2 3.8Å; L949-L951 HydrophobicContact CD1-CG 4.44Å; L949-L951 HydrophobicContact CD2-CD1 4.21Å; L949-L951 HydrophobicContact CD2-CD2 4.02Å; L949-L951 HydrophobicContact CD2-CG 4.28Å; L949-L951 HydrophobicContact CG-CD1 4.38Å; L949-L951 HydrophobicContact CG-CD2 3.8Å; L949-L951 HydrophobicContact CG-CG 3.96Å
950	R	86.9	Confident	73.7	Confident	124 Å²	124	70.6 Å²	70.6	47%	0.468	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	124.8	-178.8	-49	-176.3	88.9	-125.2	-3.4	109.6	V869 E870 E926 T948	V869-R950 WeakPolarHBondContact O-CA 3.46Å; E870-R950 HydrophobicContact CG-CG 4.14Å; E870-R950 IonicContact OE2-CZ 3.12Å; E870-R950 IonicContact OE2-NE 2.84Å; E870-R950 PolarHBondContact OE2-NE 2.93Å; E870-R950 IonicContact OE2-NH2 2.81Å; E926-R950 PolarHBondContact N-O 3.35Å; E926-R950 PolarHBondContact OE1-N 2.91Å; T948-R950 HydrophobicContact CG2-CG 4.46Å
951	L	92.1	Very high	71.6	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	125.4	-171.5	-58.4	174.5	0	0	0	110.5	D868 V869 L871 F881 F901 I916 L922 A924 V925 L942 L949 I953	D868-L951 CarbonylContact C-O 3.57Å; D868-L951 WeakPolarHBondContact CA-O 3.26Å; V869-L951 PolarHBondContact N-O 3.36Å; V869-L951 PolarHBondContact O-N 3.35Å; L871-L951 HydrophobicContact CD1-CD1 3.75Å; L871-L951 HydrophobicContact CG-CD1 4.34Å; F881-L951 HydrophobicContact CE1-CD1 4.04Å; F881-L951 HydrophobicContact CZ-CD1 4.13Å; F901-L951 HydrophobicContact CE1-CD1 4.44Å; F901-L951 HydrophobicContact CZ-CD1 4.2Å; I916-L951 HydrophobicContact CD1-CD1 3.97Å; L922-L951 HydrophobicContact CD1-CB 4.05Å; L922-L951 HydrophobicContact CD1-CD2 3.93Å; L922-L951 HydrophobicContact CD1-CG 4.49Å; A924-L951 WeakPolarHBondContact O-CA 3.48Å; V925-L951 HydrophobicContact CB-CD2 4.37Å; V925-L951 HydrophobicContact CG1-CD2 4.16Å; V925-L951 HydrophobicContact CG2-CD2 3.8Å; L942-L951 HydrophobicContact CD2-CD2 4.18Å; L949-L951 HydrophobicContact CD1-CD2 3.8Å; L949-L951 HydrophobicContact CD1-CG 4.44Å; L949-L951 HydrophobicContact CD2-CD1 4.21Å; L949-L951 HydrophobicContact CD2-CD2 4.02Å; L949-L951 HydrophobicContact CD2-CG 4.28Å; L949-L951 HydrophobicContact CG-CD1 4.38Å; L949-L951 HydrophobicContact CG-CD2 3.8Å; L949-L951 HydrophobicContact CG-CG 3.96Å; L951-I953 HydrophobicContact CB-CD1 4.17Å; L951-I953 HydrophobicContact CB-CG1 4.08Å
952	T	88.9	Confident	69.2	Low	26 Å²	26	74 Å²	74	16%	0.16	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	121.9	169.1	-48.8	0	0	0	0	108.9	F867 D868 E923 A924	F867-T952 WeakPolarHBondContact O-CA 3.11Å; D868-T952 VanDerWaalsContact OD1-CB 3.3Å; D868-T952 WeakPolarHBondContact OD1-CB 3.38Å; D868-T952 WeakPolarHBondContact OD1-CG2 3.4Å; D868-T952 PolarHBondContact OD1-OG1 2.77Å; E923-T952 HydrophobicContact CB-CG2 4.38Å; E923-T952 WeakPolarHBondContact CB-O 3.41Å; E923-T952 PolarHBondContact N-O 3.21Å; A924-T952 PolarHBondContact N-O 3.49Å; A924-T952 PolarHBondContact O-N 3.05Å
953	I	90.1	Very high	66.6	Low	0 Å²	0	80 Å²	80	0%	0	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.3	-169.3	-58.4	-177.3	0	0	0	110	G866 F867 V869 F901 I916 D920 R921 L922 L951	G866-I953 CarbonylContact C-O 3.54Å; G866-I953 WeakPolarHBondContact CA-O 3.29Å; F867-I953 WeakPolarHBondContact CD1-O 3.47Å; F867-I953 HydrophobicContact CE1-CB 4.31Å; F867-I953 HydrophobicContact CE1-CG2 4.21Å; F867-I953 WeakPolarHBondContact CE1-O 3.49Å; F867-I953 HydrophobicContact CE2-CB 4.32Å; F867-I953 HydrophobicContact CZ-CB 4.08Å; F867-I953 HydrophobicContact CZ-CG2 3.97Å; F867-I953 PolarHBondContact N-O 3.32Å; F867-I953 PolarHBondContact O-N 2.94Å; V869-I953 HydrophobicContact CB-CD1 4.22Å; V869-I953 HydrophobicContact CG2-CD1 3.79Å; V869-I953 HydrophobicContact CG2-CG1 4.41Å; F901-I953 HydrophobicContact CE2-CD1 3.64Å; F901-I953 HydrophobicContact CE2-CG1 3.85Å; F901-I953 HydrophobicContact CE2-CG2 4.06Å; F901-I953 HydrophobicContact CZ-CD1 3.68Å; F901-I953 HydrophobicContact CZ-CG1 4.12Å; I916-I953 HydrophobicContact CB-CD1 4.38Å; I916-I953 HydrophobicContact CD1-CD1 3.67Å; I916-I953 HydrophobicContact CG1-CD1 3.59Å; I916-I953 HydrophobicContact CG2-CD1 4.21Å; D920-I953 HydrophobicContact CB-CG2 3.82Å; R921-I953 CarbonylContact O-C 2.94Å; R921-I953 WeakPolarHBondContact O-CA 3.34Å; L922-I953 HydrophobicContact CD1-CG1 4.49Å; L951-I953 HydrophobicContact CB-CD1 4.17Å; L951-I953 HydrophobicContact CB-CG1 4.08Å
954	V	85.4	Confident	64.3	Low	16 Å²	16	82.9 Å²	82.9	10%	0.097	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	114.5	170.9	177.8	0	0	0	0	107.7	F864 R921 E923	F864-V954 HydrophobicContact CB-CG1 3.95Å; R921-V954 HydrophobicContact CB-CB 4.25Å; R921-V954 PolarHBondContact N-O 3Å; R921-V954 PolarHBondContact O-N 3.28Å; E923-V954 HydrophobicContact CB-CG2 4.2Å; E923-V954 VanDerWaalsContact OE2-CG2 3.3Å; E923-V954 WeakPolarHBondContact OE2-CG2 3.25Å
955	P	81.1	Confident	62.1	Low	48 Å²	48	80.1 Å²	80.1	31%	0.312	45%	0.448	S	S	.	.			trans	-68	150.2	-176.6	26.8	-29.7	0	0	0	110.7	F867 D920 P957	F867-P955 HydrophobicContact CD1-CG 4.34Å; F867-P955 HydrophobicContact CE1-CB 4Å; F867-P955 HydrophobicContact CE1-CG 3.89Å; D920-P955 VanDerWaalsContact OD1-CA 3.3Å; D920-P955 WeakPolarHBondContact OD1-CA 3.49Å; P955-P957 WeakPolarHBondContact O-CD 3.33Å
956	R	73	Confident	59.9	Low	126 Å²	126	88.6 Å²	88.6	48%	0.475	49%	0.486	S	S	.	.			trans	-62.2	125.5	177.2	-177.1	175.9	175.1	176.6	-1.2	110.2	D920 S958	D920-R956 PolarHBondContact OD1-N 2.85Å; R956-S958 PolarHBondContact O-N 2.74Å
957	P	50.4	Low	57.8	Low	88 Å²	88	93.2 Å²	93.2	57%	0.571	50%	0.504	S	S	*	.			trans	-67.8	105.8	168.7	27.9	-32.3	0	0	0	108.8	F864 P955	F864-P957 HydrophobicContact CE1-CB 4.22Å; F864-P957 HydrophobicContact CE2-CB 4.41Å; F864-P957 HydrophobicContact CZ-CB 3.9Å; P955-P957 WeakPolarHBondContact O-CD 3.33Å
958	S	41.3	Very low	55.3	Low	75 Å²	75	93.8 Å²	93.8	52%	0.524	52%	0.521	S	S	.	.			trans	-91.8	129.8	173	55.1	0	0	0	0	110.2	R956	R956-S958 PolarHBondContact O-N 2.74Å
959	T	38.5	Very low	52.6	Low	126 Å²	126	97.9 Å²	97.9	77%	0.773	54%	0.541	S	S	*	.	S	Bend	trans	-55	144.1	149.8	41.9	0	0	0	0	108.5
960	Y	32.6	Very low	49.8	Very low	223 Å²	223	105.9 Å²	105.9	88%	0.875	58%	0.578	S	S	*	*			trans	66.7	62.8	-170.3	-54.3	-79.9	0	0	0	115.8
961	A	29.6	Very low	46.8	Very low	91 Å²	91	105.8 Å²	105.8	75%	0.752	59%	0.586	S	S	*	*			trans	-97.1	113.8	151.7	0	0	0	0	0	110.1
962	S	28.3	Very low	44	Very low	94 Å²	94	114 Å²	114	66%	0.657	63%	0.625	S	S	*	*			trans	-155	124	165.3	63.9	0	0	0	0	111.7
963	N	27.6	Very low	41.1	Very low	137 Å²	137	116.2 Å²	116.2	73%	0.733	65%	0.652	S	S	*	*			trans	67.7	120.6	163.2	-45.8	-9.9	0	0	0	114.5
964	H	25.5	Very low	38.5	Very low	175 Å²	175	124.2 Å²	124.2	81%	0.81	69%	0.689	S	S	*	*			cis	-147.1	137.9	18.7	-71.5	-95.4	0	0	0	112.4
965	T	26.5	Very low	35.8	Very low	144 Å²	144	133.7 Å²	133.7	88%	0.883	72%	0.724	S	S	*	*			trans	-148.9	110.4	145.2	47.8	0	0	0	0	108.2
966	E	28.6	Very low	33.4	Very low	191 Å²	191	136 Å²	136	89%	0.893	74%	0.741	S	S	*	*			trans	-145.3	128.4	168.3	-161.1	164.6	-133.3	0	0	107.7
967	T	31.3	Very low	31.6	Very low	142 Å²	142	140.8 Å²	140.8	87%	0.871	76%	0.759	S	S	*	*			trans	-145.7	105.3	-172.9	49.6	0	0	0	0	109.2
968	A	30.4	Very low	30.8	Very low	94 Å²	94	146.5 Å²	146.5	78%	0.777	78%	0.775	S	S	*	*			trans	-153.8	101.9	170.2	0	0	0	0	0	110.2
969	D	27.4	Very low	30.4	Very low	136 Å²	136	146.8 Å²	146.8	73%	0.727	79%	0.789	S	S	*	*			trans	26.6	134.5	134.8	-76.8	-66.3	0	0	0	124
970	H	29.5	Very low	30.1	Very low	167 Å²	167	148.6 Å²	148.6	77%	0.773	79%	0.789	S	S	*	*			trans	67.4	151	145	-69	61.5	0	0	0	118.8
971	D	25	Very low	30.1	Very low	122 Å²	122	148.8 Å²	148.8	65%	0.652	79%	0.788	S	S	*	*			cis	-166.2	172.7	-24	-171.8	8.5	0	0	0	108.7
972	H	33	Very low	30.3	Very low	173 Å²	173	150 Å²	150	80%	0.801	79%	0.791	S	S	*	*			trans	74.4	140.8	163.6	-74.6	22.1	0	0	0	120.6
973	G	28.5	Very low	30.5	Very low	72 Å²	72	157.2 Å²	157.2	74%	0.742	80%	0.804	S	S	*	*			trans	138.5	62.2	139	0	0	0	0	0	122.2
974	H	35	Very low	30.9	Very low	168 Å²	168	156.5 Å²	156.5	78%	0.778	81%	0.807	S	S	*	*			trans	52.5	125.4	145.6	-82.6	-49.8	0	0	0	125.1
975	R	29.4	Very low	31.6	Very low	216 Å²	216	158.2 Å²	158.2	82%	0.815	81%	0.812	S	S	*	*				86.5	112.4	127.8	-77.5	175.5	179.7	-165.9	1.4	122.6
976	S	29.8	Very low	32	Very low	96 Å²	96	162.7 Å²	162.7	67%	0.671	81%	0.812	S	S	*	*				102.5	99.9	118.8	-70.4	0	0	0	0	122.3
977	R	35.1	Very low	32.5	Very low	226 Å²	226	157 Å²	157	85%	0.853	79%	0.788	S	S	*	*				79.2	119.9	125	-72.7	-177.1	165.8	-177.1	-3	121.7
978	K	33.4	Very low	33.6	Very low	209 Å²	209	156.7 Å²	156.7	91%	0.909	79%	0.792	S	S	*	*			trans	71.9	104.8	141.8	-70.9	-171.2	172.3	-173.2	0	119.5
979	G	32.5	Very low	35.3	Very low	80 Å²	80	159.8 Å²	159.8	83%	0.825	78%	0.783	S	S	*	*			trans	-167.7	121.5	151.2	0	0	0	0	0	109.5
980	Q	32.5	Very low	38.1	Very low	165 Å²	165	158.5 Å²	158.5	77%	0.771	77%	0.769	S	S	*	*			trans	-94.7	143.7	-176.3	-99.2	-116	-22.9	0	0	112.6
981	R	32.7	Very low	41.1	Very low	227 Å²	227	152.7 Å²	152.7	86%	0.857	74%	0.741	S	S	*	*			trans	59	78.1	157.4	-63.8	174.4	-178.3	-160.7	-5.2	117.3
982	S	34	Very low	44.2	Very low	117 Å²	117	149.8 Å²	149.8	82%	0.818	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-92.9	135.8	134.1	53.7	0	0	0	0	109.1
983	R	33.3	Very low	47.1	Very low	245 Å²	245	141.6 Å²	141.6	93%	0.925	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-76	140.9	171.4	-93.7	176.5	161.9	163.5	-7.1	109
984	P	36.3	Very low	50.1	Low	121 Å²	121	142.2 Å²	142.2	79%	0.786	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-69.5	138.6	-170.5	26	-34	0	0	0	113.5	R986	P984-R986 PolarHBondContact O-N 2.91Å
985	K	39.6	Very low	52.8	Low	212 Å²	212	134.4 Å²	134.4	92%	0.922	64%	0.642	S	S	*	*			trans	-54.4	115.1	176	-170.2	179.9	-173.1	179.7	0	111.2
986	R	34.7	Very low	55.7	Low	237 Å²	237	128.5 Å²	128.5	89%	0.894	63%	0.627	S	S	*	*			trans	-83.6	129.3	175.7	-90.4	-170.3	170.4	-168.8	-2.8	112.2	P984	P984-R986 PolarHBondContact O-N 2.91Å
987	D	39.2	Very low	58.4	Low	72 Å²	72	128.4 Å²	128.4	39%	0.385	61%	0.612	S	S	.	*			trans	46.7	92.1	149.5	-71.5	31.6	0	0	0	120.2	R989 Y990	D987-R989 HydrophobicContact CB-CB 4.37Å; D987-R989 HydrophobicContact CB-CG 4.42Å; D987-R989 PolarHBondContact O-N 2.81Å; D987-R989 IonicContact OD1-NH2 3.31Å; D987-R989 IonicContact OD2-CZ 2.86Å; D987-R989 IonicContact OD2-NE 2.68Å; D987-R989 PolarHBondContact OD2-NE 2.87Å; D987-R989 IonicContact OD2-NH2 3.15Å; D987-R989 PolarHBondContact OD2-NH2 2.77Å; D987-Y990 HydrophobicContact CB-CE2 4.44Å
988	S	54.1	Low	60.7	Low	135 Å²	135	118.3 Å²	118.3	94%	0.944	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	42.4	157.9	-173.2	0	0	0	0	112.9
989	R	66.8	Low	62.5	Low	159 Å²	159	115.2 Å²	115.2	60%	0.6	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.6	-9.2	-173.9	-64.1	-161.2	-74.8	-169	-5.2	114.6	D987	D987-R989 HydrophobicContact CB-CB 4.37Å; D987-R989 HydrophobicContact CB-CG 4.42Å; D987-R989 PolarHBondContact O-N 2.81Å; D987-R989 IonicContact OD1-NH2 3.31Å; D987-R989 IonicContact OD2-CZ 2.86Å; D987-R989 IonicContact OD2-NE 2.68Å; D987-R989 PolarHBondContact OD2-NE 2.87Å; D987-R989 IonicContact OD2-NH2 3.15Å; D987-R989 PolarHBondContact OD2-NH2 2.77Å
990	Y	85.8	Confident	64.5	Low	110 Å²	110	115 Å²	115	43%	0.431	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.4	148.1	180	-54.5	-86	0	0	0	109.5	D987 V1040 L1070 K1071	D987-Y990 HydrophobicContact CB-CE2 4.44Å; Y990-V1040 HydrophobicContact CD1-CG1 4.5Å; Y990-V1040 HydrophobicContact CD1-CG2 4.03Å; Y990-V1040 HydrophobicContact CE1-CG1 4.3Å; Y990-V1040 HydrophobicContact CE1-CG2 3.96Å; Y990-L1070 CarbonylContact C-O 3.54Å; Y990-L1070 VanDerWaalsContact CA-O 3.3Å; Y990-L1070 WeakPolarHBondContact CA-O 3.43Å; Y990-K1071 HydrophobicContact CD1-CB 3.69Å; Y990-K1071 HydrophobicContact CD1-CG 4.2Å; Y990-K1071 HydrophobicContact CE1-CB 3.73Å; Y990-K1071 HydrophobicContact CE1-CD 3.88Å; Y990-K1071 HydrophobicContact CE1-CG 3.93Å
991	Y	91.4	Very high	67.1	Low	45 Å²	45	107.9 Å²	107.9	18%	0.176	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	149.1	179.1	76.1	-82.4	0	0	0	109.9	V993 K1032 I1033 D1037 L1070 R1072	Y991-V993 HydrophobicContact CD2-CG2 3.86Å; Y991-V993 HydrophobicContact CE2-CG2 3.37Å; Y991-K1032 HydrophobicContact CE2-CB 4.2Å; Y991-K1032 WeakPolarHBondContact CE2-O 3.44Å; Y991-K1032 PolarHBondContact OH-O 2.88Å; Y991-K1032 VanDerWaalsContact OH-O 3.04Å; Y991-I1033 WeakPolarHBondContact OH-CA 3.36Å; Y991-D1037 PolarHBondContact OH-OD2 3.09Å; Y991-L1070 HydrophobicContact CD1-CB 4.35Å; Y991-L1070 WeakPolarHBondContact CD1-O 3.41Å; Y991-L1070 HydrophobicContact CE1-CB 3.69Å; Y991-L1070 HydrophobicContact CE2-CB 4.46Å; Y991-L1070 HydrophobicContact CE2-CD1 4.33Å; Y991-L1070 PolarHBondContact N-O 3.07Å; Y991-L1070 PolarHBondContact O-N 3.04Å; Y991-R1072 VanDerWaalsContact CZ-NH1 3.28Å; Y991-R1072 PolarHBondContact OH-NH1 3.01Å; Y991-R1072 VanDerWaalsContact OH-NH1 3.16Å
992	S	91.6	Very high	69.8	Low	61 Å²	61	97.5 Å²	97.5	43%	0.427	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	150.1	-178.7	54.2	0	0	0	0	113.1	L1068	S992-L1068 CarbonylContact C-O 3.53Å; S992-L1068 VanDerWaalsContact CA-O 3.28Å; S992-L1068 WeakPolarHBondContact CA-O 3.33Å
993	V	92.9	Very high	72.2	Confident	0 Å²	0	92.3 Å²	92.3	0%	0	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	119.5	176.1	-171.6	0	0	0	0	110.1	Y991 L995 K1032 I1033 L1068 L1070	Y991-V993 HydrophobicContact CD2-CG2 3.86Å; Y991-V993 HydrophobicContact CE2-CG2 3.37Å; V993-L995 HydrophobicContact CG1-CD2 3.63Å; V993-L995 HydrophobicContact CG1-CG 3.95Å; V993-K1032 HydrophobicContact CG1-CB 4.28Å; V993-K1032 HydrophobicContact CG1-CD 4.22Å; V993-K1032 HydrophobicContact CG2-CB 3.65Å; V993-K1032 HydrophobicContact CG2-CD 4.1Å; V993-I1033 HydrophobicContact CB-CD1 4.25Å; V993-I1033 HydrophobicContact CB-CG1 4.19Å; V993-I1033 HydrophobicContact CG1-CD1 4.13Å; V993-I1033 HydrophobicContact CG1-CG1 4.1Å; V993-I1033 HydrophobicContact CG2-CD1 4.39Å; V993-I1033 HydrophobicContact CG2-CG1 3.81Å; V993-L1068 PolarHBondContact N-O 2.98Å; V993-L1068 PolarHBondContact O-N 3.25Å; V993-L1070 HydrophobicContact CB-CD1 4.19Å; V993-L1070 HydrophobicContact CG2-CD1 3.84Å
994	D	91.9	Very high	74.9	Confident	85 Å²	85	82.3 Å²	82.3	46%	0.455	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	129.2	161.5	-56.2	-75.7	0	0	0	109.5	I1066 H1067	D994-I1066 WeakPolarHBondContact CA-O 3.39Å; D994-H1067 IonicContact OD1-CE1 3.95Å; D994-H1067 IonicContact OD1-CG 3.77Å; D994-H1067 IonicContact OD1-ND1 3.84Å; D994-H1067 PolarHBondContact OD1-ND1 3.3Å; D994-H1067 IonicContact OD2-ND1 3.67Å
995	L	91.4	Very high	77.3	Confident	5 Å²	5	79 Å²	79	3%	0.026	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	135.8	170.9	-60	178.7	0	0	0	110.9	V993 F1002 F1004 A1027 I1033 R1065 I1066 L1068	V993-L995 HydrophobicContact CG1-CD2 3.63Å; V993-L995 HydrophobicContact CG1-CG 3.95Å; L995-F1002 HydrophobicContact CB-CD1 3.88Å; L995-F1002 HydrophobicContact CD1-CB 4.1Å; L995-F1002 WeakPolarHBondContact O-CE1 3.48Å; L995-F1004 HydrophobicContact CD1-CD1 4.02Å; L995-F1004 HydrophobicContact CD1-CE1 4.02Å; L995-A1027 HydrophobicContact CD1-CB 3.79Å; L995-I1033 HydrophobicContact CD1-CD1 3.84Å; L995-I1033 HydrophobicContact CG-CD1 4.43Å; L995-R1065 CarbonylContact O-C 3.59Å; L995-R1065 WeakPolarHBondContact O-CA 3.18Å; L995-I1066 HydrophobicContact CB-CG2 3.93Å; L995-I1066 PolarHBondContact N-O 2.59Å; L995-I1066 PolarHBondContact O-N 3.02Å; L995-L1068 HydrophobicContact CD1-CD1 4.29Å
996	D	89.7	Confident	79.7	Confident	92 Å²	92	70 Å²	70	49%	0.492	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	142.3	169.9	-52.5	-55.3	0	0	0	110.3	G998 P1026 R1065	D996-G998 PolarHBondContact O-N 3.43Å; D996-P1026 VanDerWaalsContact O-CB 3.27Å; D996-P1026 WeakPolarHBondContact O-CB 3.46Å; D996-P1026 WeakPolarHBondContact O-CG 3.34Å; D996-R1065 WeakPolarHBondContact OD1-CG 3.31Å; D996-R1065 IonicContact OD1-CZ 2.77Å; D996-R1065 IonicContact OD1-NE 3.46Å; D996-R1065 PolarHBondContact OD1-NE 2.87Å; D996-R1065 IonicContact OD1-NH2 2.72Å; D996-R1065 PolarHBondContact OD1-NH2 3.04Å
997	R	87.9	Confident	82	Confident	94 Å²	94	60.6 Å²	60.6	36%	0.355	33%	0.331	S	S	.	.			trans	-74.7	118.5	-171	-160.4	-169.4	-162.7	103	-6.5	111.2	F1002 R1060 G1063 H1064	R997-F1002 HydrophobicContact CB-CD1 4.14Å; R997-F1002 HydrophobicContact CB-CE1 3.55Å; R997-F1002 HydrophobicContact CB-CZ 3.85Å; R997-F1002 HydrophobicContact CG-CD1 4.35Å; R997-F1002 HydrophobicContact CG-CE1 3.97Å; R997-F1002 HydrophobicContact CG-CE2 4.26Å; R997-F1002 HydrophobicContact CG-CZ 3.92Å; R997-R1060 PolarHBondContact NH1-O 2.81Å; R997-G1063 WeakPolarHBondContact CD-O 3.49Å; R997-G1063 PolarHBondContact NH1-O 3Å; R997-H1064 WeakPolarHBondContact CB-O 3.48Å; R997-H1064 PolarHBondContact N-O 2.95Å
998	G	81.8	Confident	84.2	Confident	14 Å²	14	57.1 Å²	57.1	14%	0.144	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-81.1	177.5	172.2	0	0	0	0	0	113.2	D996 S1000 G1001	D996-G998 PolarHBondContact O-N 3.43Å; G998-S1000 PolarHBondContact O-N 3.17Å; G998-G1001 VanDerWaalsContact CA-O 3.32Å; G998-G1001 WeakPolarHBondContact CA-O 3.04Å; G998-G1001 PolarHBondContact N-O 3.22Å; G998-G1001 PolarHBondContact O-N 3.44Å
999	P	73.3	Confident	85.4	Confident	144 Å²	144	50.8 Å²	50.8	94%	0.935	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-25.7	-177.1	25.4	-34.9	0	0	0	113.8
1000	S	74.4	Confident	85.9	Confident	76 Å²	76	45.2 Å²	45.2	53%	0.531	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	16.8	173.5	55	0	0	0	0	113.3	G998 M1022	G998-S1000 PolarHBondContact O-N 3.17Å; S1000-M1022 WeakPolarHBondContact OG-CE 3.45Å; S1000-M1022 PolarHBondContact OG-SD 3.29Å
1001	G	85.9	Confident	85.2	Confident	14 Å²	14	43.9 Å²	43.9	14%	0.144	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	91.6	-154.8	-171.2	0	0	0	0	0	112.9	G998 G1003	G998-G1001 VanDerWaalsContact CA-O 3.32Å; G998-G1001 WeakPolarHBondContact CA-O 3.04Å; G998-G1001 PolarHBondContact N-O 3.22Å; G998-G1001 PolarHBondContact O-N 3.44Å; G1001-G1003 VanDerWaalsContact C-N 3.31Å; G1001-G1003 PolarHBondContact O-N 3.21Å
1002	F	89.1	Confident	83.8	Confident	9 Å²	9	46.3 Å²	46.3	4%	0.039	26%	0.261	C	S	.	.	S	Bend	trans	-80.2	-5.2	-173.4	-59.3	-71.5	0	0	0	114.7	L995 R997 F1004 P1026 A1027 I1059 I1066	L995-F1002 HydrophobicContact CB-CD1 3.88Å; L995-F1002 HydrophobicContact CD1-CB 4.1Å; L995-F1002 WeakPolarHBondContact O-CE1 3.48Å; R997-F1002 HydrophobicContact CB-CD1 4.14Å; R997-F1002 HydrophobicContact CB-CE1 3.55Å; R997-F1002 HydrophobicContact CB-CZ 3.85Å; R997-F1002 HydrophobicContact CG-CD1 4.35Å; R997-F1002 HydrophobicContact CG-CE1 3.97Å; R997-F1002 HydrophobicContact CG-CE2 4.26Å; R997-F1002 HydrophobicContact CG-CZ 3.92Å; F1002-F1004 HydrophobicContact CB-CD1 3.84Å; F1002-F1004 HydrophobicContact CB-CE1 3.6Å; F1002-F1004 HydrophobicContact CG-CE1 4.44Å; F1002-P1026 WeakPolarHBondContact O-CB 3.37Å; F1002-A1027 WeakPolarHBondContact O-CB 3.3Å; F1002-A1027 PolarHBondContact O-N 3.48Å; F1002-I1059 HydrophobicContact CD2-CG2 3.88Å; F1002-I1059 HydrophobicContact CE2-CG2 4.13Å; F1002-I1059 WeakPolarHBondContact CE2-O 3.48Å; F1002-I1066 HydrophobicContact CD1-CB 4.42Å; F1002-I1066 HydrophobicContact CD1-CG2 3.52Å; F1002-I1066 HydrophobicContact CD2-CD1 4.37Å; F1002-I1066 HydrophobicContact CD2-CG2 3.94Å; F1002-I1066 HydrophobicContact CE1-CB 3.88Å; F1002-I1066 HydrophobicContact CE1-CG2 3.45Å; F1002-I1066 VanDerWaalsContact CE1-CG2 3.45Å; F1002-I1066 HydrophobicContact CE2-CB 3.99Å; F1002-I1066 HydrophobicContact CE2-CD1 4.05Å; F1002-I1066 HydrophobicContact CE2-CG2 3.89Å; F1002-I1066 HydrophobicContact CG-CG2 3.77Å; F1002-I1066 HydrophobicContact CZ-CB 3.65Å; F1002-I1066 HydrophobicContact CZ-CG2 3.65Å
1003	G	85.1	Confident	82.6	Confident	8 Å²	8	49.7 Å²	49.7	8%	0.082	27%	0.274	C	S	.	.	S	Bend	trans	75.5	27.5	171.6	0	0	0	0	0	115.6	G1001 M1022	G1001-G1003 VanDerWaalsContact C-N 3.31Å; G1001-G1003 PolarHBondContact O-N 3.21Å; G1003-M1022 PolarHBondContact O-N 2.87Å
1004	F	90.6	Very high	81.9	Confident	35 Å²	35	51 Å²	51	15%	0.154	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	154.9	167.8	67.6	-88.2	0	0	0	110.5	L995 F1002 L1006 V1018 G1020 L1021 A1027 I1059 L1068	L995-F1004 HydrophobicContact CD1-CD1 4.02Å; L995-F1004 HydrophobicContact CD1-CE1 4.02Å; F1002-F1004 HydrophobicContact CB-CD1 3.84Å; F1002-F1004 HydrophobicContact CB-CE1 3.6Å; F1002-F1004 HydrophobicContact CG-CE1 4.44Å; F1004-L1006 HydrophobicContact CE2-CD1 4.32Å; F1004-V1018 HydrophobicContact CB-CG1 4.38Å; F1004-G1020 CarbonylContact C-O 3.6Å; F1004-G1020 WeakPolarHBondContact CA-O 3.13Å; F1004-L1021 HydrophobicContact CB-CD2 3.71Å; F1004-A1027 HydrophobicContact CB-CB 3.89Å; F1004-A1027 HydrophobicContact CD1-CB 4.02Å; F1004-A1027 HydrophobicContact CG-CB 4.42Å; F1004-I1059 HydrophobicContact CE2-CD1 4.29Å; F1004-I1059 HydrophobicContact CZ-CD1 4.17Å; F1004-L1068 HydrophobicContact CE1-CD1 3.72Å; F1004-L1068 HydrophobicContact CZ-CD1 3.68Å
1005	S	86.3	Confident	81.3	Confident	52 Å²	52	48.2 Å²	48.2	36%	0.364	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	148.5	172.1	62.9	0	0	0	0	111.1	V1018 L1019 G1020	S1005-V1018 WeakPolarHBondContact O-CA 3.48Å; S1005-L1019 PolarHBondContact O-N 3.17Å; S1005-G1020 PolarHBondContact N-O 3.42Å; S1005-G1020 WeakPolarHBondContact OG-CA 3.42Å; S1005-G1020 PolarHBondContact OG-N 2.61Å; S1005-G1020 PolarHBondContact OG-O 3.42Å
1006	L	89.4	Confident	81.2	Confident	23 Å²	23	48.1 Å²	48.1	12%	0.12	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	151	-173.5	-157.5	68	0	0	0	110.3	F1004 L1016 Y1017 L1039 H1052 A1055 I1059	F1004-L1006 HydrophobicContact CE2-CD1 4.32Å; L1006-L1016 HydrophobicContact CD1-CB 4.19Å; L1006-L1016 HydrophobicContact CD2-CB 4.42Å; L1006-L1016 HydrophobicContact CD2-CD1 4.34Å; L1006-L1016 HydrophobicContact CD2-CD2 4Å; L1006-L1016 HydrophobicContact CD2-CG 4.5Å; L1006-L1016 HydrophobicContact CG-CB 4.39Å; L1006-L1016 HydrophobicContact CG-CD2 4.39Å; L1006-Y1017 CarbonylContact C-O 3.55Å; L1006-Y1017 WeakPolarHBondContact CA-O 3Å; L1006-L1039 HydrophobicContact CD1-CB 4.41Å; L1006-L1039 HydrophobicContact CD1-CD2 3.82Å; L1006-L1039 HydrophobicContact CD2-CD2 4.45Å; L1006-H1052 PolarHBondContact O-CE1 3.44Å; L1006-A1055 HydrophobicContact CD2-CB 4.12Å; L1006-I1059 HydrophobicContact CD2-CD1 3.98Å
1007	R	83.7	Confident	81.3	Confident	39 Å²	39	45.8 Å²	45.8	15%	0.147	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	156.1	175.1	-179.6	-179.6	175.5	89.7	-24.5	109.7	M1014 L1016 Y1017 L1019 P1078 D1079 Y1080	R1007-M1014 HydrophobicContact CG-CE 3.86Å; R1007-L1016 CarbonylContact O-C 3.52Å; R1007-L1016 WeakPolarHBondContact O-CA 3.18Å; R1007-Y1017 PolarHBondContact N-O 2.95Å; R1007-Y1017 PolarHBondContact O-N 3.2Å; R1007-L1019 HydrophobicContact CB-CB 4.06Å; R1007-L1019 HydrophobicContact CB-CD2 4.3Å; R1007-P1078 PolarHBondContact NE-O 2.97Å; R1007-P1078 VanDerWaalsContact NE-O 3.09Å; R1007-D1079 IonicContact CZ-OD1 3.17Å; R1007-D1079 IonicContact NH2-OD1 2.69Å; R1007-D1079 PolarHBondContact NH2-OD1 3.08Å; R1007-Y1080 HydrophobicContact CG-CE1 4.31Å; R1007-Y1080 VanDerWaalsContact NH1-CE2 3.28Å
1008	G	84.8	Confident	81.4	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	80	-173.2	-176.7	0	0	0	0	0	112.9	L1016 H1052	G1008-L1016 WeakPolarHBondContact O-CD2 3.14Å; G1008-H1052 VanDerWaalsContact O-CB 3.3Å; G1008-H1052 WeakPolarHBondContact O-CB 3.06Å; G1008-H1052 PolarHBondContact O-ND1 3.21Å
1009	G	80.3	Confident	81.5	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	139.8	160	-164	0	0	0	0	0	110.2	E1011 Y1012 N1013 M1014	G1009-E1011 VanDerWaalsContact C-N 3.25Å; G1009-E1011 VanDerWaalsContact CA-OE2 3.29Å; G1009-E1011 WeakPolarHBondContact CA-OE2 3.39Å; G1009-E1011 PolarHBondContact O-N 3.42Å; G1009-Y1012 CarbonylContact O-C 3.5Å; G1009-Y1012 WeakPolarHBondContact O-CA 3.48Å; G1009-Y1012 WeakPolarHBondContact O-CB 3.36Å; G1009-Y1012 PolarHBondContact O-N 2.89Å; G1009-N1013 PolarHBondContact O-N 2.98Å; G1009-M1014 CarbonylContact C-O 3.49Å; G1009-M1014 WeakPolarHBondContact CA-O 3.32Å; G1009-M1014 PolarHBondContact N-O 3.08Å; G1009-M1014 PolarHBondContact O-N 3.3Å
1010	S	76.1	Confident	81.8	Confident	42 Å²	42	38.7 Å²	38.7	29%	0.294	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-63.3	-27.2	-176.9	60.9	0	0	0	0	113.9	Y1012 N1013 G1049 M1050 T1051	S1010-Y1012 PolarHBondContact O-N 3.09Å; S1010-N1013 PolarHBondContact O-N 3.26Å; S1010-G1049 WeakPolarHBondContact CB-O 3.37Å; S1010-G1049 PolarHBondContact OG-O 2.8Å; S1010-M1050 PolarHBondContact N-O 2.78Å; S1010-M1050 PolarHBondContact OG-O 3.24Å; S1010-T1051 PolarHBondContact OG-N 3.28Å
1011	E	70.9	Confident	82.4	Confident	83 Å²	83	37.7 Å²	37.7	39%	0.388	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-68.2	-15.9	172.8	75.1	-84.1	-121.3	0	0	113	G1009 T1051 H1052	G1009-E1011 VanDerWaalsContact C-N 3.25Å; G1009-E1011 VanDerWaalsContact CA-OE2 3.29Å; G1009-E1011 WeakPolarHBondContact CA-OE2 3.39Å; G1009-E1011 PolarHBondContact O-N 3.42Å; E1011-T1051 WeakPolarHBondContact OE1-CB 3.31Å; E1011-T1051 VanDerWaalsContact OE2-CA 3.25Å; E1011-T1051 WeakPolarHBondContact OE2-CA 3.26Å; E1011-H1052 VanDerWaalsContact CD-N 3.29Å; E1011-H1052 WeakPolarHBondContact OE1-CB 3.2Å; E1011-H1052 PolarHBondContact OE1-N 3.1Å; E1011-H1052 PolarHBondContact OE2-N 3.28Å
1012	Y	63.8	Low	82.2	Confident	96 Å²	96	41 Å²	41	38%	0.376	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-103.6	5.9	172.1	-55	-71	0	0	0	112.6	G1009 S1010 M1014 H1052 Y1080	G1009-Y1012 CarbonylContact O-C 3.5Å; G1009-Y1012 WeakPolarHBondContact O-CA 3.48Å; G1009-Y1012 WeakPolarHBondContact O-CB 3.36Å; G1009-Y1012 PolarHBondContact O-N 2.89Å; S1010-Y1012 PolarHBondContact O-N 3.09Å; Y1012-M1014 PolarHBondContact O-N 3.43Å; Y1012-M1014 VanDerWaalsContact O-N 3.11Å; Y1012-H1052 HydrophobicContact CD2-CB 4.45Å; Y1012-H1052 HydrophobicContact CE2-CB 3.89Å; Y1012-Y1080 AromaticContact CD1-CD1 3.91Å; Y1012-Y1080 HydrophobicContact CD1-CD1 3.91Å; Y1012-Y1080 AromaticContact CD1-CE1 3.59Å; Y1012-Y1080 HydrophobicContact CD1-CE1 3.59Å; Y1012-Y1080 HydrophobicContact CD2-CE1 4.08Å; Y1012-Y1080 HydrophobicContact CE1-CE1 4.11Å; Y1012-Y1080 HydrophobicContact CG-CD1 4.1Å; Y1012-Y1080 AromaticContact CG-CE1 3.58Å; Y1012-Y1080 HydrophobicContact CG-CE1 3.58Å
1013	N	64.9	Low	81.7	Confident	131 Å²	131	49.4 Å²	49.4	70%	0.701	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	28.6	-172.1	-70.2	-63.5	0	0	0	114	G1009 S1010 L1083	G1009-N1013 PolarHBondContact O-N 2.98Å; S1010-N1013 PolarHBondContact O-N 3.26Å; N1013-L1083 HydrophobicContact CB-CD1 3.38Å
1014	M	78.3	Confident	81.4	Confident	29 Å²	29	51 Å²	51	14%	0.143	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144.9	-173.2	-174.9	169.7	67.9	0	0	110.3	R1007 G1009 Y1012 Y1017 P1078 Y1080	R1007-M1014 HydrophobicContact CG-CE 3.86Å; G1009-M1014 CarbonylContact C-O 3.49Å; G1009-M1014 WeakPolarHBondContact CA-O 3.32Å; G1009-M1014 PolarHBondContact N-O 3.08Å; G1009-M1014 PolarHBondContact O-N 3.3Å; Y1012-M1014 PolarHBondContact O-N 3.43Å; Y1012-M1014 VanDerWaalsContact O-N 3.11Å; M1014-Y1017 HydrophobicContact CG-CD2 4.1Å; M1014-Y1017 HydrophobicContact CG-CE2 3.82Å; M1014-Y1017 HydrophobicContact SD-CD2 4.36Å; M1014-Y1017 HydrophobicContact SD-CE2 4.4Å; M1014-P1078 HydrophobicContact SD-CB 3.68Å; M1014-P1078 HydrophobicContact SD-CG 4.15Å; M1014-Y1080 HydrophobicContact CE-CD1 4.07Å; M1014-Y1080 HydrophobicContact CE-CE1 3.9Å
1015	G	80.1	Confident	81.2	Confident	26 Å²	26	49.4 Å²	49.4	27%	0.268	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	162.2	170.5	0	0	0	0	0	112.4	Y1017	G1015-Y1017 WeakPolarHBondContact O-CD2 3.47Å; G1015-Y1017 WeakPolarHBondContact O-CE2 3.49Å
1016	L	89.7	Confident	81.3	Confident	3 Å²	3	47.4 Å²	47.4	2%	0.016	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	127.4	171.6	-62	173.9	0	0	0	109.3	L1006 R1007 G1008 Q1038 L1039 I1042 T1047 A1055	L1006-L1016 HydrophobicContact CD1-CB 4.19Å; L1006-L1016 HydrophobicContact CD2-CB 4.42Å; L1006-L1016 HydrophobicContact CD2-CD1 4.34Å; L1006-L1016 HydrophobicContact CD2-CD2 4Å; L1006-L1016 HydrophobicContact CD2-CG 4.5Å; L1006-L1016 HydrophobicContact CG-CB 4.39Å; L1006-L1016 HydrophobicContact CG-CD2 4.39Å; R1007-L1016 CarbonylContact O-C 3.52Å; R1007-L1016 WeakPolarHBondContact O-CA 3.18Å; G1008-L1016 WeakPolarHBondContact O-CD2 3.14Å; L1016-Q1038 CarbonylContact O-C 3.57Å; L1016-Q1038 WeakPolarHBondContact O-CA 3.27Å; L1016-Q1038 WeakPolarHBondContact O-CG 3.3Å; L1016-L1039 HydrophobicContact CB-CB 4.02Å; L1016-L1039 PolarHBondContact O-N 2.95Å; L1016-I1042 HydrophobicContact CD1-CD1 4.33Å; L1016-T1047 HydrophobicContact CD1-CG2 3.67Å; L1016-A1055 HydrophobicContact CD1-CB 3.41Å; L1016-A1055 VanDerWaalsContact CD1-CB 3.41Å; L1016-A1055 HydrophobicContact CD2-CB 4.04Å; L1016-A1055 HydrophobicContact CG-CB 4.4Å
1017	Y	90.6	Very high	81.3	Confident	42 Å²	42	46.3 Å²	46.3	17%	0.165	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	143.2	-179.2	-70.4	-85.6	0	0	0	111.9	L1006 R1007 M1014 G1015 L1019 D1037 Q1038 P1078	L1006-Y1017 CarbonylContact C-O 3.55Å; L1006-Y1017 WeakPolarHBondContact CA-O 3Å; R1007-Y1017 PolarHBondContact N-O 2.95Å; R1007-Y1017 PolarHBondContact O-N 3.2Å; M1014-Y1017 HydrophobicContact CG-CD2 4.1Å; M1014-Y1017 HydrophobicContact CG-CE2 3.82Å; M1014-Y1017 HydrophobicContact SD-CD2 4.36Å; M1014-Y1017 HydrophobicContact SD-CE2 4.4Å; G1015-Y1017 WeakPolarHBondContact O-CD2 3.47Å; G1015-Y1017 WeakPolarHBondContact O-CE2 3.49Å; Y1017-L1019 PolarHBondContact O-N 3.1Å; Y1017-D1037 WeakPolarHBondContact CA-O 3.45Å; Y1017-Q1038 HydrophobicContact CD1-CB 3.86Å; Y1017-Q1038 HydrophobicContact CD1-CG 4.16Å; Y1017-Q1038 HydrophobicContact CE1-CB 3.57Å; Y1017-Q1038 HydrophobicContact CE1-CG 3.73Å; Y1017-Q1038 HydrophobicContact CE2-CG 4.46Å; Y1017-P1078 HydrophobicContact CE2-CG 4.11Å
1018	V	89.7	Confident	81.5	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	111	170.5	179.5	0	0	0	0	109.1	F1004 S1005 L1021 I1033 S1036 D1037 L1070	F1004-V1018 HydrophobicContact CB-CG1 4.38Å; S1005-V1018 WeakPolarHBondContact O-CA 3.48Å; V1018-L1021 HydrophobicContact CG1-CD2 3.83Å; V1018-L1021 HydrophobicContact CG1-CG 4.47Å; V1018-I1033 HydrophobicContact CG1-CG2 4.16Å; V1018-I1033 HydrophobicContact CG2-CG2 3.92Å; V1018-S1036 PolarHBondContact O-N 3.44Å; V1018-D1037 HydrophobicContact CG2-CB 4.38Å; V1018-D1037 PolarHBondContact N-O 2.86Å; V1018-L1070 HydrophobicContact CG2-CD2 4.05Å
1019	L	84	Confident	81.6	Confident	82 Å²	82	53.6 Å²	53.6	43%	0.429	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	-29.4	-177.9	176.7	60.7	0	0	0	112.6	S1005 R1007 Y1017 V1035 V1077	S1005-L1019 PolarHBondContact O-N 3.17Å; R1007-L1019 HydrophobicContact CB-CB 4.06Å; R1007-L1019 HydrophobicContact CB-CD2 4.3Å; Y1017-L1019 PolarHBondContact O-N 3.1Å; L1019-V1035 WeakPolarHBondContact O-CG1 3.34Å; L1019-V1077 HydrophobicContact CD1-CG1 4.28Å
1020	G	80.8	Confident	81.9	Confident	20 Å²	20	55.1 Å²	55.1	21%	0.206	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	153.7	-175	0	0	0	0	0	111.7	F1004 S1005	F1004-G1020 CarbonylContact C-O 3.6Å; F1004-G1020 WeakPolarHBondContact CA-O 3.13Å; S1005-G1020 PolarHBondContact N-O 3.42Å; S1005-G1020 WeakPolarHBondContact OG-CA 3.42Å; S1005-G1020 PolarHBondContact OG-N 2.61Å; S1005-G1020 PolarHBondContact OG-O 3.42Å
1021	L	86.8	Confident	82.3	Confident	56 Å²	56	60.5 Å²	60.5	29%	0.293	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.6	173.3	-60.5	178.4	0	0	0	108.6	F1004 V1018 E1023 A1027 I1033 V1035	F1004-L1021 HydrophobicContact CB-CD2 3.71Å; V1018-L1021 HydrophobicContact CG1-CD2 3.83Å; V1018-L1021 HydrophobicContact CG1-CG 4.47Å; L1021-E1023 PolarHBondContact O-N 2.9Å; L1021-A1027 HydrophobicContact CD2-CB 3.86Å; L1021-I1033 WeakPolarHBondContact CD1-O 3.38Å; L1021-I1033 HydrophobicContact CD2-CG2 4.03Å; L1021-V1035 HydrophobicContact CG-CG2 4.33Å
1022	M	81.4	Confident	82.9	Confident	82 Å²	82	61.9 Å²	61.9	40%	0.404	32%	0.316	S	S	.	.			trans	-77.6	122.7	173.8	-169	-168.2	74.4	0	0	108.5	S1000 G1003 G1024 G1025 S1028	S1000-M1022 WeakPolarHBondContact OG-CE 3.45Å; S1000-M1022 PolarHBondContact OG-SD 3.29Å; G1003-M1022 PolarHBondContact O-N 2.87Å; M1022-G1024 PolarHBondContact O-N 3.35Å; M1022-G1025 VanDerWaalsContact CE-CA 3.4Å; M1022-G1025 WeakPolarHBondContact O-CA 3.33Å; M1022-G1025 PolarHBondContact O-N 3.12Å; M1022-S1028 VanDerWaalsContact O-CB 3.23Å; M1022-S1028 WeakPolarHBondContact O-CB 3.37Å
1023	E	78.1	Confident	84.2	Confident	186 Å²	186	57.6 Å²	57.6	87%	0.869	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	132.7	176.7	-168.8	176.5	-176.5	0	0	111.1	L1021 G1025	L1021-E1023 PolarHBondContact O-N 2.9Å; E1023-G1025 PolarHBondContact O-N 3.49Å
1024	G	78.9	Confident	85.2	Confident	42 Å²	42	56.1 Å²	56.1	43%	0.433	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	-3.9	-174.8	0	0	0	0	0	115.8	M1022 R1029	M1022-G1024 PolarHBondContact O-N 3.35Å; G1024-R1029 WeakPolarHBondContact O-CD 3.31Å; G1024-R1029 WeakPolarHBondContact O-CG 3.2Å; G1024-R1029 PolarHBondContact O-NH1 3.44Å
1025	G	86.4	Confident	85.6	Confident	1 Å²	1	58 Å²	58	1%	0.01	30%	0.301	C	S	.	.	S	Bend	trans	-72.8	162.5	177.9	0	0	0	0	0	113.7	M1022 E1023 A1027 S1028 R1029	M1022-G1025 VanDerWaalsContact CE-CA 3.4Å; M1022-G1025 WeakPolarHBondContact O-CA 3.33Å; M1022-G1025 PolarHBondContact O-N 3.12Å; E1023-G1025 PolarHBondContact O-N 3.49Å; G1025-A1027 PolarHBondContact O-N 2.9Å; G1025-S1028 WeakPolarHBondContact O-CB 3.41Å; G1025-S1028 PolarHBondContact O-N 3.34Å; G1025-S1028 VanDerWaalsContact O-N 3.07Å; G1025-R1029 WeakPolarHBondContact O-CG 3.37Å; G1025-R1029 PolarHBondContact O-N 3.19Å
1026	P	88.5	Confident	85.8	Confident	10 Å²	10	56.9 Å²	56.9	7%	0.065	29%	0.29	C	S	.	.	H	α-helix	trans	-53.7	-44.9	-174.7	-26.7	33.3	0	0	0	114.6	D996 F1002 R1029 S1030	D996-P1026 VanDerWaalsContact O-CB 3.27Å; D996-P1026 WeakPolarHBondContact O-CB 3.46Å; D996-P1026 WeakPolarHBondContact O-CG 3.34Å; F1002-P1026 WeakPolarHBondContact O-CB 3.37Å; P1026-R1029 PolarHBondContact O-N 3.38Å; P1026-S1030 PolarHBondContact O-N 2.95Å
1027	A	89.1	Confident	85.8	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.2	-43.6	176.2	0	0	0	0	0	112.9	L995 F1002 F1004 L1021 G1025 S1030 I1033	L995-A1027 HydrophobicContact CD1-CB 3.79Å; F1002-A1027 WeakPolarHBondContact O-CB 3.3Å; F1002-A1027 PolarHBondContact O-N 3.48Å; F1004-A1027 HydrophobicContact CB-CB 3.89Å; F1004-A1027 HydrophobicContact CD1-CB 4.02Å; F1004-A1027 HydrophobicContact CG-CB 4.42Å; L1021-A1027 HydrophobicContact CD2-CB 3.86Å; G1025-A1027 PolarHBondContact O-N 2.9Å; A1027-S1030 WeakPolarHBondContact O-CB 3.47Å; A1027-S1030 PolarHBondContact O-N 3.11Å; A1027-S1030 PolarHBondContact O-OG 2.97Å; A1027-I1033 HydrophobicContact CB-CD1 4.34Å
1028	S	88.1	Confident	85.8	Confident	28 Å²	28	56.8 Å²	56.8	20%	0.196	29%	0.291	C	S	.	.	H	α-helix	trans	-61.4	-48.3	173.8	170.7	0	0	0	0	111.4	M1022 G1025 S1030 Q1031	M1022-S1028 VanDerWaalsContact O-CB 3.23Å; M1022-S1028 WeakPolarHBondContact O-CB 3.37Å; G1025-S1028 WeakPolarHBondContact O-CB 3.41Å; G1025-S1028 PolarHBondContact O-N 3.34Å; G1025-S1028 VanDerWaalsContact O-N 3.07Å; S1028-S1030 PolarHBondContact O-N 2.92Å; S1028-Q1031 PolarHBondContact O-N 3.18Å; S1028-Q1031 VanDerWaalsContact O-N 3.09Å; S1028-Q1031 PolarHBondContact O-NE2 3.34Å
1029	R	86.6	Confident	86	Confident	165 Å²	165	56.8 Å²	56.8	62%	0.623	29%	0.291	S	S	*	.	H	α-helix	trans	-63	-24.5	177	-64.9	-167.9	-50.6	-121.5	14.5	113.6	G1024 G1025 P1026 Q1031	G1024-R1029 WeakPolarHBondContact O-CD 3.31Å; G1024-R1029 WeakPolarHBondContact O-CG 3.2Å; G1024-R1029 PolarHBondContact O-NH1 3.44Å; G1025-R1029 WeakPolarHBondContact O-CG 3.37Å; G1025-R1029 PolarHBondContact O-N 3.19Å; P1026-R1029 PolarHBondContact O-N 3.38Å; R1029-Q1031 VanDerWaalsContact C-N 3.25Å; R1029-Q1031 PolarHBondContact O-N 2.8Å
1030	S	86.3	Confident	86.4	Confident	32 Å²	32	54.2 Å²	54.2	22%	0.224	28%	0.278	C	S	.	.	H	α-helix	trans	-66.6	-27.9	175.7	83.1	0	0	0	0	112.9	P1026 A1027 S1028 K1032	P1026-S1030 PolarHBondContact O-N 2.95Å; A1027-S1030 WeakPolarHBondContact O-CB 3.47Å; A1027-S1030 PolarHBondContact O-N 3.11Å; A1027-S1030 PolarHBondContact O-OG 2.97Å; S1028-S1030 PolarHBondContact O-N 2.92Å; S1030-K1032 PolarHBondContact O-N 3.32Å; S1030-K1032 PolarHBondContact OG-N 3.15Å
1031	Q	84.6	Confident	87	Confident	155 Å²	155	56.6 Å²	56.6	72%	0.724	28%	0.284	S	S	*	.	S	Bend	trans	51.8	9.1	-171.6	-61.5	-66.8	-11.9	0	0	115.4	S1028 R1029	S1028-Q1031 PolarHBondContact O-N 3.18Å; S1028-Q1031 VanDerWaalsContact O-N 3.09Å; S1028-Q1031 PolarHBondContact O-NE2 3.34Å; R1029-Q1031 VanDerWaalsContact C-N 3.25Å; R1029-Q1031 PolarHBondContact O-N 2.8Å
1032	K	84.9	Confident	87.3	Confident	113 Å²	113	54 Å²	54	49%	0.491	27%	0.27	S	S	.	.	S	Bend	trans	-91.9	-39.8	179.2	-71.7	176.5	179.8	-178.6	0	112.2	Y991 V993 S1030 R1072	Y991-K1032 HydrophobicContact CE2-CB 4.2Å; Y991-K1032 WeakPolarHBondContact CE2-O 3.44Å; Y991-K1032 PolarHBondContact OH-O 2.88Å; Y991-K1032 VanDerWaalsContact OH-O 3.04Å; V993-K1032 HydrophobicContact CG1-CB 4.28Å; V993-K1032 HydrophobicContact CG1-CD 4.22Å; V993-K1032 HydrophobicContact CG2-CB 3.65Å; V993-K1032 HydrophobicContact CG2-CD 4.1Å; S1030-K1032 PolarHBondContact O-N 3.32Å; S1030-K1032 PolarHBondContact OG-N 3.15Å; K1032-R1072 PolarHBondContact O-NH1 3.36Å; K1032-R1072 PolarHBondContact O-NH2 2.9Å
1033	I	90.8	Very high	87.7	Confident	5 Å²	5	53.5 Å²	53.5	3%	0.026	27%	0.269	C	S	.	.			trans	-85.3	139.9	179.7	-54.7	-176.1	0	0	0	110.2	Y991 V993 L995 V1018 L1021 A1027 L1068 L1070	Y991-I1033 WeakPolarHBondContact OH-CA 3.36Å; V993-I1033 HydrophobicContact CB-CD1 4.25Å; V993-I1033 HydrophobicContact CB-CG1 4.19Å; V993-I1033 HydrophobicContact CG1-CD1 4.13Å; V993-I1033 HydrophobicContact CG1-CG1 4.1Å; V993-I1033 HydrophobicContact CG2-CD1 4.39Å; V993-I1033 HydrophobicContact CG2-CG1 3.81Å; L995-I1033 HydrophobicContact CD1-CD1 3.84Å; L995-I1033 HydrophobicContact CG-CD1 4.43Å; V1018-I1033 HydrophobicContact CG1-CG2 4.16Å; V1018-I1033 HydrophobicContact CG2-CG2 3.92Å; L1021-I1033 WeakPolarHBondContact CD1-O 3.38Å; L1021-I1033 HydrophobicContact CD2-CG2 4.03Å; A1027-I1033 HydrophobicContact CB-CD1 4.34Å; I1033-L1068 HydrophobicContact CD1-CD1 4.15Å; I1033-L1070 HydrophobicContact CD1-CD1 4.18Å; I1033-L1070 HydrophobicContact CD1-CD2 4.39Å; I1033-L1070 HydrophobicContact CG1-CD1 4.16Å; I1033-L1070 HydrophobicContact CG1-CD2 4.35Å; I1033-L1070 HydrophobicContact CG2-CD2 4.03Å
1034	Q	86.1	Confident	88	Confident	101 Å²	101	47.1 Å²	47.1	47%	0.472	25%	0.253	S	S	.	.			trans	-125.9	159.7	175.4	-63.7	177.9	-11.9	0	0	110.6	D1037	Q1034-D1037 PolarHBondContact N-OD2 2.82Å; Q1034-D1037 WeakPolarHBondContact O-CB 3.47Å; Q1034-D1037 PolarHBondContact O-N 2.87Å
1035	V	85.3	Confident	88.4	Confident	67 Å²	67	49.5 Å²	49.5	41%	0.406	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	146.2	167.5	178.8	0	0	0	0	108.9	L1019 L1021 D1037 V1077	L1019-V1035 WeakPolarHBondContact O-CG1 3.34Å; L1021-V1035 HydrophobicContact CG-CG2 4.33Å; V1035-D1037 VanDerWaalsContact C-N 3.29Å; V1035-D1037 PolarHBondContact O-N 2.95Å; V1035-V1077 HydrophobicContact CG1-CG2 4.05Å
1036	S	84.4	Confident	88.6	Confident	4 Å²	4	52 Å²	52	3%	0.028	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	-4.1	-168.4	77.9	0	0	0	0	117.2	V1018 Q1038 G1073 G1075 Y1076	V1018-S1036 PolarHBondContact O-N 3.44Å; S1036-Q1038 PolarHBondContact O-N 2.77Å; S1036-G1073 WeakPolarHBondContact O-CA 3.22Å; S1036-G1073 WeakPolarHBondContact OG-CA 3.34Å; S1036-G1075 VanDerWaalsContact OG-CA 3.31Å; S1036-G1075 WeakPolarHBondContact OG-CA 3.49Å; S1036-G1075 PolarHBondContact OG-N 3.15Å; S1036-Y1076 WeakPolarHBondContact CB-O 3.39Å
1037	D	90.9	Very high	88.6	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-63.2	132.7	171.8	-75.3	-19.3	0	0	0	110.8	Y991 Y1017 V1018 Q1034 V1035 L1070 R1072 G1073	Y991-D1037 PolarHBondContact OH-OD2 3.09Å; Y1017-D1037 WeakPolarHBondContact CA-O 3.45Å; V1018-D1037 HydrophobicContact CG2-CB 4.38Å; V1018-D1037 PolarHBondContact N-O 2.86Å; Q1034-D1037 PolarHBondContact N-OD2 2.82Å; Q1034-D1037 WeakPolarHBondContact O-CB 3.47Å; Q1034-D1037 PolarHBondContact O-N 2.87Å; V1035-D1037 VanDerWaalsContact C-N 3.29Å; V1035-D1037 PolarHBondContact O-N 2.95Å; D1037-L1070 HydrophobicContact CB-CB 4.49Å; D1037-L1070 HydrophobicContact CB-CD2 3.79Å; D1037-R1072 VanDerWaalsContact OD1-CA 3.3Å; D1037-R1072 WeakPolarHBondContact OD1-CA 3.17Å; D1037-R1072 WeakPolarHBondContact OD1-CD 3.1Å; D1037-R1072 IonicContact OD1-NH1 3.02Å; D1037-R1072 IonicContact OD2-NH1 2.7Å; D1037-R1072 PolarHBondContact OD2-NH1 3.21Å; D1037-G1073 PolarHBondContact OD1-N 3.3Å
1038	Q	91	Very high	88.4	Confident	42 Å²	42	57.8 Å²	57.8	20%	0.196	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	128.2	179.8	-170.9	-176.8	1	0	0	109.2	L1016 Y1017 S1036 L1070 K1071	L1016-Q1038 CarbonylContact O-C 3.57Å; L1016-Q1038 WeakPolarHBondContact O-CA 3.27Å; L1016-Q1038 WeakPolarHBondContact O-CG 3.3Å; Y1017-Q1038 HydrophobicContact CD1-CB 3.86Å; Y1017-Q1038 HydrophobicContact CD1-CG 4.16Å; Y1017-Q1038 HydrophobicContact CE1-CB 3.57Å; Y1017-Q1038 HydrophobicContact CE1-CG 3.73Å; Y1017-Q1038 HydrophobicContact CE2-CG 4.46Å; S1036-Q1038 PolarHBondContact O-N 2.77Å; Q1038-L1070 CarbonylContact O-C 3.58Å; Q1038-L1070 VanDerWaalsContact O-CA 3.29Å; Q1038-L1070 WeakPolarHBondContact O-CA 3.21Å; Q1038-K1071 HydrophobicContact CB-CB 4.27Å; Q1038-K1071 PolarHBondContact N-O 3.36Å; Q1038-K1071 PolarHBondContact O-N 2.84Å
1039	L	92.4	Very high	87.9	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.005	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	119.5	-179.5	-172.4	58	0	0	0	110.4	L1006 L1016 I1042 T1047 I1059 L1068 L1070	L1006-L1039 HydrophobicContact CD1-CB 4.41Å; L1006-L1039 HydrophobicContact CD1-CD2 3.82Å; L1006-L1039 HydrophobicContact CD2-CD2 4.45Å; L1016-L1039 HydrophobicContact CB-CB 4.02Å; L1016-L1039 PolarHBondContact O-N 2.95Å; L1039-I1042 HydrophobicContact CD1-CG1 4.35Å; L1039-I1042 HydrophobicContact CD2-CD1 3.78Å; L1039-I1042 HydrophobicContact CD2-CG1 3.77Å; L1039-I1042 HydrophobicContact CG-CD1 4.35Å; L1039-I1042 HydrophobicContact CG-CG1 3.99Å; L1039-T1047 HydrophobicContact CG-CG2 4.33Å; L1039-T1047 PolarHBondContact O-OG1 3.32Å; L1039-I1059 HydrophobicContact CD2-CD1 4.49Å; L1039-L1068 HydrophobicContact CD1-CB 3.82Å; L1039-L1068 HydrophobicContact CD1-CD1 4.41Å; L1039-L1068 HydrophobicContact CD1-CD2 3.97Å; L1039-L1068 HydrophobicContact CD1-CG 4.27Å; L1039-L1068 HydrophobicContact CD2-CD2 4.48Å; L1039-L1070 HydrophobicContact CD1-CD2 4.34Å; L1039-L1070 HydrophobicContact CD1-CG 3.98Å
1040	V	92.4	Very high	87.8	Confident	28 Å²	28	53 Å²	53	17%	0.17	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-33.4	-167.1	-173.9	0	0	0	0	112.2	Y990 S1046 T1047 V1069 K1071	Y990-V1040 HydrophobicContact CD1-CG1 4.5Å; Y990-V1040 HydrophobicContact CD1-CG2 4.03Å; Y990-V1040 HydrophobicContact CE1-CG1 4.3Å; Y990-V1040 HydrophobicContact CE1-CG2 3.96Å; V1040-S1046 PolarHBondContact O-OG 2.79Å; V1040-T1047 WeakPolarHBondContact CA-OG1 3.48Å; V1040-T1047 PolarHBondContact O-N 3.24Å; V1040-T1047 PolarHBondContact O-OG1 2.79Å; V1040-T1047 VanDerWaalsContact O-OG1 3.12Å; V1040-V1069 PolarHBondContact N-O 2.86Å; V1040-K1071 HydrophobicContact CG2-CB 3.92Å
1041	E	93.6	Very high	87.7	Confident	71 Å²	71	52.8 Å²	52.8	33%	0.332	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	146.8	173.8	-49.8	175.6	-179.3	0	0	110.2	D1045 V1069	E1041-D1045 CarbonylContact C-O 3.55Å; E1041-D1045 VanDerWaalsContact CA-O 3.28Å; E1041-D1045 WeakPolarHBondContact CA-O 3.14Å; E1041-V1069 HydrophobicContact CB-CB 3.83Å; E1041-V1069 HydrophobicContact CB-CG2 3.96Å; E1041-V1069 HydrophobicContact CG-CB 4.07Å; E1041-V1069 HydrophobicContact CG-CG2 4.33Å; E1041-V1069 PolarHBondContact N-O 2.96Å; E1041-V1069 PolarHBondContact O-N 3.33Å; E1041-V1069 WeakPolarHBondContact OE2-CG2 3.49Å
1042	I	93.1	Very high	87.7	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	114.9	177.5	-61.5	167.9	0	0	0	107.1	L1016 L1039 G1044 D1045 T1047 A1055 M1058 I1059 I1066 L1068	L1016-I1042 HydrophobicContact CD1-CD1 4.33Å; L1039-I1042 HydrophobicContact CD1-CG1 4.35Å; L1039-I1042 HydrophobicContact CD2-CD1 3.78Å; L1039-I1042 HydrophobicContact CD2-CG1 3.77Å; L1039-I1042 HydrophobicContact CG-CD1 4.35Å; L1039-I1042 HydrophobicContact CG-CG1 3.99Å; I1042-G1044 PolarHBondContact O-N 2.94Å; I1042-D1045 PolarHBondContact N-O 3.35Å; I1042-D1045 PolarHBondContact O-N 2.91Å; I1042-T1047 HydrophobicContact CD1-CG2 3.85Å; I1042-T1047 HydrophobicContact CG1-CG2 3.88Å; I1042-A1055 HydrophobicContact CD1-CB 4.04Å; I1042-M1058 HydrophobicContact CB-CE 3.73Å; I1042-M1058 HydrophobicContact CD1-CE 3.88Å; I1042-M1058 HydrophobicContact CG1-CE 4.35Å; I1042-M1058 HydrophobicContact CG2-CB 4.24Å; I1042-M1058 HydrophobicContact CG2-CE 4.01Å; I1042-I1059 HydrophobicContact CD1-CD1 4.22Å; I1042-I1059 HydrophobicContact CD1-CG1 4.2Å; I1042-I1059 HydrophobicContact CG2-CG1 4.19Å; I1042-I1066 HydrophobicContact CG2-CD1 4.13Å; I1042-I1066 HydrophobicContact CG2-CG1 4.45Å; I1042-L1068 HydrophobicContact CG1-CD2 4.19Å; I1042-L1068 HydrophobicContact CG2-CD2 4.29Å
1043	N	90.3	Very high	87.7	Confident	71 Å²	71	45.9 Å²	45.9	38%	0.38	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	18.1	-175.6	-63	-28.9	0	0	0	115.6	I1066 H1067	N1043-I1066 WeakPolarHBondContact OD1-CG1 3.45Å; N1043-H1067 PolarHBondContact N-O 3.26Å; N1043-H1067 PolarHBondContact OD1-N 3.44Å
1044	G	84.9	Confident	87.5	Confident	52 Å²	52	50.1 Å²	50.1	54%	0.536	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.2	-12.6	-175.5	0	0	0	0	0	114.3	I1042	I1042-G1044 PolarHBondContact O-N 2.94Å
1045	D	87	Confident	87.7	Confident	93 Å²	93	45.3 Å²	45.3	50%	0.497	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	126	173.4	-62.4	-55.9	0	0	0	110.2	E1041 I1042 M1050 M1058	E1041-D1045 CarbonylContact C-O 3.55Å; E1041-D1045 VanDerWaalsContact CA-O 3.28Å; E1041-D1045 WeakPolarHBondContact CA-O 3.14Å; I1042-D1045 PolarHBondContact N-O 3.35Å; I1042-D1045 PolarHBondContact O-N 2.91Å; D1045-M1050 HydrophobicContact CB-CE 3.88Å; D1045-M1058 HydrophobicContact CB-CE 4.16Å; D1045-M1058 HydrophobicContact CB-SD 4.21Å
1046	S	89.9	Confident	87.8	Confident	53 Å²	53	43.8 Å²	43.8	37%	0.371	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	134.6	-176.9	-168.4	0	0	0	0	112.1	V1040 T1048 M1050	V1040-S1046 PolarHBondContact O-OG 2.79Å; S1046-T1048 PolarHBondContact O-N 3.48Å; S1046-M1050 WeakPolarHBondContact O-CE 3.48Å
1047	T	89.8	Confident	87.9	Confident	15 Å²	15	48 Å²	48	9%	0.092	29%	0.29	C	S	.	.			trans	-77.4	-3.1	-173.7	64.6	0	0	0	0	114.4	L1016 L1039 V1040 I1042 G1049 M1050	L1016-T1047 HydrophobicContact CD1-CG2 3.67Å; L1039-T1047 HydrophobicContact CG-CG2 4.33Å; L1039-T1047 PolarHBondContact O-OG1 3.32Å; V1040-T1047 WeakPolarHBondContact CA-OG1 3.48Å; V1040-T1047 PolarHBondContact O-N 3.24Å; V1040-T1047 PolarHBondContact O-OG1 2.79Å; V1040-T1047 VanDerWaalsContact O-OG1 3.12Å; I1042-T1047 HydrophobicContact CD1-CG2 3.85Å; I1042-T1047 HydrophobicContact CG1-CG2 3.88Å; T1047-G1049 PolarHBondContact O-N 3.16Å; T1047-G1049 VanDerWaalsContact O-N 3.16Å; T1047-M1050 PolarHBondContact O-N 2.88Å; T1047-M1050 VanDerWaalsContact O-N 3.15Å
1048	T	85	Confident	87.7	Confident	116 Å²	116	50 Å²	50	71%	0.712	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	115.1	179.7	53.7	0	0	0	0	111.2	S1046 M1050	S1046-T1048 PolarHBondContact O-N 3.48Å; T1048-M1050 VanDerWaalsContact C-N 3.34Å
1049	G	77	Confident	87.6	Confident	61 Å²	61	48.9 Å²	48.9	63%	0.629	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	-4.8	-179.6	0	0	0	0	0	115.1	S1010 T1047	S1010-G1049 WeakPolarHBondContact CB-O 3.37Å; S1010-G1049 PolarHBondContact OG-O 2.8Å; T1047-G1049 PolarHBondContact O-N 3.16Å; T1047-G1049 VanDerWaalsContact O-N 3.16Å
1050	M	85.1	Confident	87.2	Confident	31 Å²	31	57 Å²	57	15%	0.153	33%	0.325	C	S	.	.			trans	-72.1	140.3	176	-69.4	-178.2	176.3	0	0	112.4	S1010 D1045 S1046 T1047 T1048 M1058	S1010-M1050 PolarHBondContact N-O 2.78Å; S1010-M1050 PolarHBondContact OG-O 3.24Å; D1045-M1050 HydrophobicContact CB-CE 3.88Å; S1046-M1050 WeakPolarHBondContact O-CE 3.48Å; T1047-M1050 PolarHBondContact O-N 2.88Å; T1047-M1050 VanDerWaalsContact O-N 3.15Å; T1048-M1050 VanDerWaalsContact C-N 3.34Å; M1050-M1058 HydrophobicContact CE-CE 3.47Å; M1050-M1058 VanDerWaalsContact CE-CE 3.47Å; M1050-M1058 HydrophobicContact CE-SD 3.68Å; M1050-M1058 HydrophobicContact SD-CE 3.31Å; M1050-M1058 WeakPolarHBondContact SD-CE 3.46Å; M1050-M1058 HydrophobicContact SD-SD 4.06Å
1051	T	83.3	Confident	86.7	Confident	28 Å²	28	64.8 Å²	64.8	17%	0.172	35%	0.351	C	S	.	.			trans	-73.5	160.1	170.8	69.8	0	0	0	0	111.1	S1010 E1011 S1053 Q1054 A1055	S1010-T1051 PolarHBondContact OG-N 3.28Å; E1011-T1051 WeakPolarHBondContact OE1-CB 3.31Å; E1011-T1051 VanDerWaalsContact OE2-CA 3.25Å; E1011-T1051 WeakPolarHBondContact OE2-CA 3.26Å; T1051-S1053 PolarHBondContact O-N 3.22Å; T1051-S1053 PolarHBondContact OG1-OG 2.7Å; T1051-Q1054 PolarHBondContact O-N 3.38Å; T1051-Q1054 WeakPolarHBondContact OG1-CB 3.39Å; T1051-Q1054 WeakPolarHBondContact OG1-CG 3.3Å; T1051-Q1054 PolarHBondContact OG1-N 3.01Å; T1051-Q1054 PolarHBondContact OG1-OE1 2.93Å; T1051-A1055 PolarHBondContact O-N 3.01Å
1052	H	84.3	Confident	85.7	Confident	49 Å²	49	62.6 Å²	62.6	23%	0.227	35%	0.348	C	S	.	.	H	α-helix	trans	-55.4	-43.4	171.7	-172	80.9	0	0	0	111.5	L1006 G1008 E1011 Y1012 A1055 V1056	L1006-H1052 PolarHBondContact O-CE1 3.44Å; G1008-H1052 VanDerWaalsContact O-CB 3.3Å; G1008-H1052 WeakPolarHBondContact O-CB 3.06Å; G1008-H1052 PolarHBondContact O-ND1 3.21Å; E1011-H1052 VanDerWaalsContact CD-N 3.29Å; E1011-H1052 WeakPolarHBondContact OE1-CB 3.2Å; E1011-H1052 PolarHBondContact OE1-N 3.1Å; E1011-H1052 PolarHBondContact OE2-N 3.28Å; Y1012-H1052 HydrophobicContact CD2-CB 4.45Å; Y1012-H1052 HydrophobicContact CE2-CB 3.89Å; H1052-A1055 PolarHBondContact O-N 3.38Å; H1052-V1056 WeakPolarHBondContact O-CB 3.42Å; H1052-V1056 WeakPolarHBondContact O-CG2 3.42Å; H1052-V1056 PolarHBondContact O-N 3.09Å
1053	S	84.4	Confident	85	Confident	75 Å²	75	64 Å²	64	52%	0.524	36%	0.362	S	S	.	.	H	α-helix	trans	-62.6	-45.2	178.2	47.4	0	0	0	0	112.6	T1051 V1056 E1057	T1051-S1053 PolarHBondContact O-N 3.22Å; T1051-S1053 PolarHBondContact OG1-OG 2.7Å; S1053-V1056 PolarHBondContact O-N 2.84Å; S1053-E1057 WeakPolarHBondContact O-CB 2.94Å; S1053-E1057 PolarHBondContact O-N 2.8Å
1054	Q	87.4	Confident	84.7	Confident	94 Å²	94	68 Å²	68	44%	0.439	38%	0.379	S	S	.	.	H	α-helix	trans	-61.5	-48.3	175.9	-74.7	164.4	-10.3	0	0	111.3	T1051 V1056 E1057 M1058	T1051-Q1054 PolarHBondContact O-N 3.38Å; T1051-Q1054 WeakPolarHBondContact OG1-CB 3.39Å; T1051-Q1054 WeakPolarHBondContact OG1-CG 3.3Å; T1051-Q1054 PolarHBondContact OG1-N 3.01Å; T1051-Q1054 PolarHBondContact OG1-OE1 2.93Å; Q1054-V1056 PolarHBondContact O-N 3.2Å; Q1054-E1057 WeakPolarHBondContact O-CB 3.28Å; Q1054-E1057 PolarHBondContact O-N 2.92Å; Q1054-E1057 VanDerWaalsContact O-N 3.09Å; Q1054-M1058 WeakPolarHBondContact O-CG 3.32Å; Q1054-M1058 PolarHBondContact O-N 3.47Å
1055	A	89.3	Confident	84.8	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-60	-44.5	179.2	0	0	0	0	0	112.5	L1006 L1016 I1042 T1051 H1052 E1057 M1058 I1059	L1006-A1055 HydrophobicContact CD2-CB 4.12Å; L1016-A1055 HydrophobicContact CD1-CB 3.41Å; L1016-A1055 VanDerWaalsContact CD1-CB 3.41Å; L1016-A1055 HydrophobicContact CD2-CB 4.04Å; L1016-A1055 HydrophobicContact CG-CB 4.4Å; I1042-A1055 HydrophobicContact CD1-CB 4.04Å; T1051-A1055 PolarHBondContact O-N 3.01Å; H1052-A1055 PolarHBondContact O-N 3.38Å; A1055-E1057 VanDerWaalsContact C-N 3.32Å; A1055-E1057 PolarHBondContact O-N 2.94Å; A1055-M1058 PolarHBondContact O-N 3.04Å; A1055-I1059 WeakPolarHBondContact O-CB 3.41Å; A1055-I1059 WeakPolarHBondContact O-CD1 3.41Å; A1055-I1059 WeakPolarHBondContact O-CG1 3.27Å; A1055-I1059 PolarHBondContact O-N 2.99Å
1056	V	89.3	Confident	85.1	Confident	34 Å²	34	68.3 Å²	68.3	21%	0.206	36%	0.357	C	S	.	.	H	α-helix	trans	-65.2	-34.6	175	170.5	0	0	0	0	111.7	H1052 S1053 Q1054 R1060	H1052-V1056 WeakPolarHBondContact O-CB 3.42Å; H1052-V1056 WeakPolarHBondContact O-CG2 3.42Å; H1052-V1056 PolarHBondContact O-N 3.09Å; S1053-V1056 PolarHBondContact O-N 2.84Å; Q1054-V1056 PolarHBondContact O-N 3.2Å; V1056-R1060 WeakPolarHBondContact O-CB 3.33Å; V1056-R1060 WeakPolarHBondContact O-CD 3.42Å; V1056-R1060 VanDerWaalsContact O-CG 3.22Å; V1056-R1060 WeakPolarHBondContact O-CG 3.44Å; V1056-R1060 PolarHBondContact O-N 2.84Å
1057	E	86.6	Confident	85.2	Confident	93 Å²	93	68.9 Å²	68.9	44%	0.435	35%	0.353	S	S	.	.	H	α-helix	trans	-66.5	-45.5	174.2	-161	-166.3	128	0	0	111.9	S1053 Q1054 A1055 I1059 R1060 R1061	S1053-E1057 WeakPolarHBondContact O-CB 2.94Å; S1053-E1057 PolarHBondContact O-N 2.8Å; Q1054-E1057 WeakPolarHBondContact O-CB 3.28Å; Q1054-E1057 PolarHBondContact O-N 2.92Å; Q1054-E1057 VanDerWaalsContact O-N 3.09Å; A1055-E1057 VanDerWaalsContact C-N 3.32Å; A1055-E1057 PolarHBondContact O-N 2.94Å; E1057-I1059 PolarHBondContact O-N 3.32Å; E1057-R1060 CarbonylContact O-C 3.57Å; E1057-R1060 WeakPolarHBondContact O-CA 3.34Å; E1057-R1060 WeakPolarHBondContact O-CB 3.32Å; E1057-R1060 PolarHBondContact O-N 2.86Å; E1057-R1061 HydrophobicContact CG-CG 4.35Å; E1057-R1061 WeakPolarHBondContact O-CB 3.29Å; E1057-R1061 WeakPolarHBondContact O-CG 3.28Å; E1057-R1061 PolarHBondContact O-N 3.34Å; E1057-R1061 WeakPolarHBondContact OE1-CD 3.35Å; E1057-R1061 IonicContact OE1-CZ 2.81Å; E1057-R1061 IonicContact OE1-NE 2.7Å; E1057-R1061 IonicContact OE1-NH1 3.63Å; E1057-R1061 PolarHBondContact OE1-NH1 3.05Å
1058	M	85.5	Confident	85.4	Confident	41 Å²	41	68.2 Å²	68.2	20%	0.202	35%	0.349	C	S	.	.	H	α-helix	trans	-63.1	-41.9	175.9	-62.4	-166.2	-36.6	0	0	111.9	I1042 D1045 M1050 Q1054 A1055 R1060 R1061 G1062	I1042-M1058 HydrophobicContact CB-CE 3.73Å; I1042-M1058 HydrophobicContact CD1-CE 3.88Å; I1042-M1058 HydrophobicContact CG1-CE 4.35Å; I1042-M1058 HydrophobicContact CG2-CB 4.24Å; I1042-M1058 HydrophobicContact CG2-CE 4.01Å; D1045-M1058 HydrophobicContact CB-CE 4.16Å; D1045-M1058 HydrophobicContact CB-SD 4.21Å; M1050-M1058 HydrophobicContact CE-CE 3.47Å; M1050-M1058 VanDerWaalsContact CE-CE 3.47Å; M1050-M1058 HydrophobicContact CE-SD 3.68Å; M1050-M1058 HydrophobicContact SD-CE 3.31Å; M1050-M1058 WeakPolarHBondContact SD-CE 3.46Å; M1050-M1058 HydrophobicContact SD-SD 4.06Å; Q1054-M1058 WeakPolarHBondContact O-CG 3.32Å; Q1054-M1058 PolarHBondContact O-N 3.47Å; A1055-M1058 PolarHBondContact O-N 3.04Å; M1058-R1060 PolarHBondContact O-N 2.98Å; M1058-R1061 PolarHBondContact O-N 3.48Å; M1058-G1062 PolarHBondContact O-N 3.1Å
1059	I	88.6	Confident	85.8	Confident	20 Å²	20	63.7 Å²	63.7	10%	0.103	32%	0.321	C	S	.	.	H	α-helix	trans	-59.9	-34	173	-68	162.1	0	0	0	111.1	F1002 F1004 L1006 L1039 I1042 A1055 E1057 I1066	F1002-I1059 HydrophobicContact CD2-CG2 3.88Å; F1002-I1059 HydrophobicContact CE2-CG2 4.13Å; F1002-I1059 WeakPolarHBondContact CE2-O 3.48Å; F1004-I1059 HydrophobicContact CE2-CD1 4.29Å; F1004-I1059 HydrophobicContact CZ-CD1 4.17Å; L1006-I1059 HydrophobicContact CD2-CD1 3.98Å; L1039-I1059 HydrophobicContact CD2-CD1 4.49Å; I1042-I1059 HydrophobicContact CD1-CD1 4.22Å; I1042-I1059 HydrophobicContact CD1-CG1 4.2Å; I1042-I1059 HydrophobicContact CG2-CG1 4.19Å; A1055-I1059 WeakPolarHBondContact O-CB 3.41Å; A1055-I1059 WeakPolarHBondContact O-CD1 3.41Å; A1055-I1059 WeakPolarHBondContact O-CG1 3.27Å; A1055-I1059 PolarHBondContact O-N 2.99Å; E1057-I1059 PolarHBondContact O-N 3.32Å; I1059-I1066 HydrophobicContact CB-CD1 3.92Å; I1059-I1066 HydrophobicContact CG1-CD1 3.69Å; I1059-I1066 HydrophobicContact CG2-CD1 3.87Å
1060	R	84	Confident	86.5	Confident	170 Å²	170	60.8 Å²	60.8	64%	0.642	29%	0.292	S	S	*	.	H	α-helix	trans	-73.1	-46.8	174.1	-73.6	166.5	178.3	-177.3	0.1	112	R997 V1056 E1057 M1058 G1062	R997-R1060 PolarHBondContact NH1-O 2.81Å; V1056-R1060 WeakPolarHBondContact O-CB 3.33Å; V1056-R1060 WeakPolarHBondContact O-CD 3.42Å; V1056-R1060 VanDerWaalsContact O-CG 3.22Å; V1056-R1060 WeakPolarHBondContact O-CG 3.44Å; V1056-R1060 PolarHBondContact O-N 2.84Å; E1057-R1060 CarbonylContact O-C 3.57Å; E1057-R1060 WeakPolarHBondContact O-CA 3.34Å; E1057-R1060 WeakPolarHBondContact O-CB 3.32Å; E1057-R1060 PolarHBondContact O-N 2.86Å; M1058-R1060 PolarHBondContact O-N 2.98Å; R1060-G1062 VanDerWaalsContact C-N 3.35Å; R1060-G1062 PolarHBondContact O-N 3.4Å
1061	R	82	Confident	86.8	Confident	192 Å²	192	62.9 Å²	62.9	73%	0.725	30%	0.3	S	S	*	.	H	α-helix	trans	-71.4	-21.4	-176.7	-71.1	173.5	71.9	164.3	1.3	114	E1057 M1058 G1063	E1057-R1061 HydrophobicContact CG-CG 4.35Å; E1057-R1061 WeakPolarHBondContact O-CB 3.29Å; E1057-R1061 WeakPolarHBondContact O-CG 3.28Å; E1057-R1061 PolarHBondContact O-N 3.34Å; E1057-R1061 WeakPolarHBondContact OE1-CD 3.35Å; E1057-R1061 IonicContact OE1-CZ 2.81Å; E1057-R1061 IonicContact OE1-NE 2.7Å; E1057-R1061 IonicContact OE1-NH1 3.63Å; E1057-R1061 PolarHBondContact OE1-NH1 3.05Å; M1058-R1061 PolarHBondContact O-N 3.48Å; R1061-G1063 PolarHBondContact O-N 3.3Å
1062	G	72.5	Confident	87.1	Confident	25 Å²	25	66.8 Å²	66.8	26%	0.258	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-6.2	172.8	0	0	0	0	0	115.6	M1058 R1060	M1058-G1062 PolarHBondContact O-N 3.1Å; R1060-G1062 VanDerWaalsContact C-N 3.35Å; R1060-G1062 PolarHBondContact O-N 3.4Å
1063	G	79.8	Confident	86.7	Confident	30 Å²	30	65.5 Å²	65.5	31%	0.309	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	-132.1	172	0	0	0	0	0	113.3	R997 R1061	R997-G1063 WeakPolarHBondContact CD-O 3.49Å; R997-G1063 PolarHBondContact NH1-O 3Å; R1061-G1063 PolarHBondContact O-N 3.3Å
1064	H	82.9	Confident	86	Confident	156 Å²	156	68.5 Å²	68.5	72%	0.722	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-17.4	-169.6	-72.9	-81.3	0	0	0	115.5	R997	R997-H1064 WeakPolarHBondContact CB-O 3.48Å; R997-H1064 PolarHBondContact N-O 2.95Å
1065	R	87.1	Confident	84.6	Confident	150 Å²	150	67.4 Å²	67.4	57%	0.566	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.1	145.2	-178.9	-49.7	-170.6	75.3	-138.9	-7.1	108.6	L995 D996	L995-R1065 CarbonylContact O-C 3.59Å; L995-R1065 WeakPolarHBondContact O-CA 3.18Å; D996-R1065 WeakPolarHBondContact OD1-CG 3.31Å; D996-R1065 IonicContact OD1-CZ 2.77Å; D996-R1065 IonicContact OD1-NE 3.46Å; D996-R1065 PolarHBondContact OD1-NE 2.87Å; D996-R1065 IonicContact OD1-NH2 2.72Å; D996-R1065 PolarHBondContact OD1-NH2 3.04Å
1066	I	92.8	Very high	83	Confident	2 Å²	2	72.7 Å²	72.7	1%	0.01	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	131.9	178.2	-162.7	168.8	0	0	0	110.3	D994 L995 F1002 I1042 N1043 I1059 L1068	D994-I1066 WeakPolarHBondContact CA-O 3.39Å; L995-I1066 HydrophobicContact CB-CG2 3.93Å; L995-I1066 PolarHBondContact N-O 2.59Å; L995-I1066 PolarHBondContact O-N 3.02Å; F1002-I1066 HydrophobicContact CD1-CB 4.42Å; F1002-I1066 HydrophobicContact CD1-CG2 3.52Å; F1002-I1066 HydrophobicContact CD2-CD1 4.37Å; F1002-I1066 HydrophobicContact CD2-CG2 3.94Å; F1002-I1066 HydrophobicContact CE1-CB 3.88Å; F1002-I1066 HydrophobicContact CE1-CG2 3.45Å; F1002-I1066 VanDerWaalsContact CE1-CG2 3.45Å; F1002-I1066 HydrophobicContact CE2-CB 3.99Å; F1002-I1066 HydrophobicContact CE2-CD1 4.05Å; F1002-I1066 HydrophobicContact CE2-CG2 3.89Å; F1002-I1066 HydrophobicContact CG-CG2 3.77Å; F1002-I1066 HydrophobicContact CZ-CB 3.65Å; F1002-I1066 HydrophobicContact CZ-CG2 3.65Å; I1042-I1066 HydrophobicContact CG2-CD1 4.13Å; I1042-I1066 HydrophobicContact CG2-CG1 4.45Å; N1043-I1066 WeakPolarHBondContact OD1-CG1 3.45Å; I1059-I1066 HydrophobicContact CB-CD1 3.92Å; I1059-I1066 HydrophobicContact CG1-CD1 3.69Å; I1059-I1066 HydrophobicContact CG2-CD1 3.87Å; I1066-L1068 HydrophobicContact CD1-CD2 3.73Å; I1066-L1068 HydrophobicContact CG1-CD2 3.7Å; I1066-L1068 HydrophobicContact CG1-CG 4.31Å; I1066-L1068 HydrophobicContact CG2-CD1 4.43Å; I1066-L1068 HydrophobicContact CG2-CD2 4.43Å; I1066-L1068 HydrophobicContact CG2-CG 4.24Å
1067	H	91.7	Very high	81.9	Confident	64 Å²	64	72 Å²	72	30%	0.296	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	123.6	172.4	-168.7	82	0	0	0	108.5	D994 N1043	D994-H1067 IonicContact OD1-CE1 3.95Å; D994-H1067 IonicContact OD1-CG 3.77Å; D994-H1067 IonicContact OD1-ND1 3.84Å; D994-H1067 PolarHBondContact OD1-ND1 3.3Å; D994-H1067 IonicContact OD2-ND1 3.67Å; N1043-H1067 PolarHBondContact N-O 3.26Å; N1043-H1067 PolarHBondContact OD1-N 3.44Å
1068	L	93.9	Very high	80.5	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.005	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130.7	-179.4	-57.2	179.7	0	0	0	109.3	S992 V993 L995 F1004 I1033 L1039 I1042 I1066 L1070	S992-L1068 CarbonylContact C-O 3.53Å; S992-L1068 VanDerWaalsContact CA-O 3.28Å; S992-L1068 WeakPolarHBondContact CA-O 3.33Å; V993-L1068 PolarHBondContact N-O 2.98Å; V993-L1068 PolarHBondContact O-N 3.25Å; L995-L1068 HydrophobicContact CD1-CD1 4.29Å; F1004-L1068 HydrophobicContact CE1-CD1 3.72Å; F1004-L1068 HydrophobicContact CZ-CD1 3.68Å; I1033-L1068 HydrophobicContact CD1-CD1 4.15Å; L1039-L1068 HydrophobicContact CD1-CB 3.82Å; L1039-L1068 HydrophobicContact CD1-CD1 4.41Å; L1039-L1068 HydrophobicContact CD1-CD2 3.97Å; L1039-L1068 HydrophobicContact CD1-CG 4.27Å; L1039-L1068 HydrophobicContact CD2-CD2 4.48Å; I1042-L1068 HydrophobicContact CG1-CD2 4.19Å; I1042-L1068 HydrophobicContact CG2-CD2 4.29Å; I1066-L1068 HydrophobicContact CD1-CD2 3.73Å; I1066-L1068 HydrophobicContact CG1-CD2 3.7Å; I1066-L1068 HydrophobicContact CG1-CG 4.31Å; I1066-L1068 HydrophobicContact CG2-CD1 4.43Å; I1066-L1068 HydrophobicContact CG2-CD2 4.43Å; I1066-L1068 HydrophobicContact CG2-CG 4.24Å; L1068-L1070 HydrophobicContact CB-CD1 3.71Å; L1068-L1070 HydrophobicContact CB-CG 4.49Å
1069	V	93.4	Very high	78.8	Confident	21 Å²	21	70.1 Å²	70.1	13%	0.127	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	119.1	167	-175.5	0	0	0	0	108.1	V1040 E1041	V1040-V1069 PolarHBondContact N-O 2.86Å; E1041-V1069 HydrophobicContact CB-CB 3.83Å; E1041-V1069 HydrophobicContact CB-CG2 3.96Å; E1041-V1069 HydrophobicContact CG-CB 4.07Å; E1041-V1069 HydrophobicContact CG-CG2 4.33Å; E1041-V1069 PolarHBondContact N-O 2.96Å; E1041-V1069 PolarHBondContact O-N 3.33Å; E1041-V1069 WeakPolarHBondContact OE2-CG2 3.49Å
1070	L	92.9	Very high	76.4	Confident	1 Å²	1	72.7 Å²	72.7	1%	0.005	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	151.2	-177.6	-59.8	102.3	0	0	0	110.9	Y990 Y991 V993 V1018 I1033 D1037 Q1038 L1039 L1068	Y990-L1070 CarbonylContact C-O 3.54Å; Y990-L1070 VanDerWaalsContact CA-O 3.3Å; Y990-L1070 WeakPolarHBondContact CA-O 3.43Å; Y991-L1070 HydrophobicContact CD1-CB 4.35Å; Y991-L1070 WeakPolarHBondContact CD1-O 3.41Å; Y991-L1070 HydrophobicContact CE1-CB 3.69Å; Y991-L1070 HydrophobicContact CE2-CB 4.46Å; Y991-L1070 HydrophobicContact CE2-CD1 4.33Å; Y991-L1070 PolarHBondContact N-O 3.07Å; Y991-L1070 PolarHBondContact O-N 3.04Å; V993-L1070 HydrophobicContact CB-CD1 4.19Å; V993-L1070 HydrophobicContact CG2-CD1 3.84Å; V1018-L1070 HydrophobicContact CG2-CD2 4.05Å; I1033-L1070 HydrophobicContact CD1-CD1 4.18Å; I1033-L1070 HydrophobicContact CD1-CD2 4.39Å; I1033-L1070 HydrophobicContact CG1-CD1 4.16Å; I1033-L1070 HydrophobicContact CG1-CD2 4.35Å; I1033-L1070 HydrophobicContact CG2-CD2 4.03Å; D1037-L1070 HydrophobicContact CB-CB 4.49Å; D1037-L1070 HydrophobicContact CB-CD2 3.79Å; Q1038-L1070 CarbonylContact O-C 3.58Å; Q1038-L1070 VanDerWaalsContact O-CA 3.29Å; Q1038-L1070 WeakPolarHBondContact O-CA 3.21Å; L1039-L1070 HydrophobicContact CD1-CD2 4.34Å; L1039-L1070 HydrophobicContact CD1-CG 3.98Å; L1068-L1070 HydrophobicContact CB-CD1 3.71Å; L1068-L1070 HydrophobicContact CB-CG 4.49Å
1071	K	90.9	Very high	74.3	Confident	74 Å²	74	69 Å²	69	32%	0.322	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	131.5	167.4	177.5	-172.4	167.5	-163.4	0	107.8	Y990 Q1038 V1040 G1073	Y990-K1071 HydrophobicContact CD1-CB 3.69Å; Y990-K1071 HydrophobicContact CD1-CG 4.2Å; Y990-K1071 HydrophobicContact CE1-CB 3.73Å; Y990-K1071 HydrophobicContact CE1-CD 3.88Å; Y990-K1071 HydrophobicContact CE1-CG 3.93Å; Q1038-K1071 HydrophobicContact CB-CB 4.27Å; Q1038-K1071 PolarHBondContact N-O 3.36Å; Q1038-K1071 PolarHBondContact O-N 2.84Å; V1040-K1071 HydrophobicContact CG2-CB 3.92Å; K1071-G1073 PolarHBondContact O-N 2.86Å
1072	R	89.3	Confident	72.1	Confident	110 Å²	110	67 Å²	67	42%	0.415	35%	0.351	S	S	.	.			trans	-60	127.7	-176.7	-172.3	67.3	69.2	-153.7	6.1	110.7	Y991 K1032 D1037	Y991-R1072 VanDerWaalsContact CZ-NH1 3.28Å; Y991-R1072 PolarHBondContact OH-NH1 3.01Å; Y991-R1072 VanDerWaalsContact OH-NH1 3.16Å; K1032-R1072 PolarHBondContact O-NH1 3.36Å; K1032-R1072 PolarHBondContact O-NH2 2.9Å; D1037-R1072 VanDerWaalsContact OD1-CA 3.3Å; D1037-R1072 WeakPolarHBondContact OD1-CA 3.17Å; D1037-R1072 WeakPolarHBondContact OD1-CD 3.1Å; D1037-R1072 IonicContact OD1-NH1 3.02Å; D1037-R1072 IonicContact OD2-NH1 2.7Å; D1037-R1072 PolarHBondContact OD2-NH1 3.21Å
1073	G	75.5	Confident	70.3	Confident	23 Å²	23	70.2 Å²	70.2	24%	0.237	36%	0.362	C	S	.	.			trans	-72.4	169.6	175.3	0	0	0	0	0	113.1	S1036 D1037 K1071	S1036-G1073 WeakPolarHBondContact O-CA 3.22Å; S1036-G1073 WeakPolarHBondContact OG-CA 3.34Å; D1037-G1073 PolarHBondContact OD1-N 3.3Å; K1071-G1073 PolarHBondContact O-N 2.86Å
1074	N	71.4	Confident	68.2	Low	138 Å²	138	70 Å²	70	74%	0.738	36%	0.356	S	S	*	.			trans	-111.7	17.4	179	66	-13.4	0	0	0	112.9	Y1076	N1074-Y1076 VanDerWaalsContact C-N 3.3Å; N1074-Y1076 WeakPolarHBondContact OD1-CB 3.37Å; N1074-Y1076 PolarHBondContact OD1-N 3.04Å; N1074-Y1076 VanDerWaalsContact OD1-N 3.14Å; N1074-Y1076 PolarHBondContact OD1-O 2.78Å
1075	G	57.8	Low	65.8	Low	71 Å²	71	64 Å²	64	73%	0.732	33%	0.332	S	S	*	.	S	Bend	trans	85.1	-6.2	-173.2	0	0	0	0	0	114.4	S1036	S1036-G1075 VanDerWaalsContact OG-CA 3.31Å; S1036-G1075 WeakPolarHBondContact OG-CA 3.49Å; S1036-G1075 PolarHBondContact OG-N 3.15Å
1076	Y	55.8	Low	63.4	Low	110 Å²	110	58.7 Å²	58.7	43%	0.431	31%	0.314	S	S	.	.			trans	-113.3	120.6	-179.9	-175.9	-113	0	0	0	111.8	S1036 N1074 P1078	S1036-Y1076 WeakPolarHBondContact CB-O 3.39Å; N1074-Y1076 VanDerWaalsContact C-N 3.3Å; N1074-Y1076 WeakPolarHBondContact OD1-CB 3.37Å; N1074-Y1076 PolarHBondContact OD1-N 3.04Å; N1074-Y1076 VanDerWaalsContact OD1-N 3.14Å; N1074-Y1076 PolarHBondContact OD1-O 2.78Å; Y1076-P1078 HydrophobicContact CD1-CG 4.38Å; Y1076-P1078 HydrophobicContact CE1-CB 3.97Å; Y1076-P1078 HydrophobicContact CE1-CG 4.21Å
1077	V	64.9	Low	60.6	Low	21 Å²	21	61.1 Å²	61.1	13%	0.127	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-93	122.5	165.2	179	0	0	0	0	106.9	L1019 V1035	L1019-V1077 HydrophobicContact CD1-CG1 4.28Å; V1035-V1077 HydrophobicContact CG1-CG2 4.05Å
1078	P	57.6	Low	58.2	Low	17 Å²	17	59 Å²	59	11%	0.11	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-66.8	146.7	-178	-15.4	27.9	0	0	0	112.6	R1007 M1014 Y1017 Y1076	R1007-P1078 PolarHBondContact NE-O 2.97Å; R1007-P1078 VanDerWaalsContact NE-O 3.09Å; M1014-P1078 HydrophobicContact SD-CB 3.68Å; M1014-P1078 HydrophobicContact SD-CG 4.15Å; Y1017-P1078 HydrophobicContact CE2-CG 4.11Å; Y1076-P1078 HydrophobicContact CD1-CG 4.38Å; Y1076-P1078 HydrophobicContact CE1-CB 3.97Å; Y1076-P1078 HydrophobicContact CE1-CG 4.21Å
1079	D	49.1	Very low	55.4	Low	76 Å²	76	59.7 Å²	59.7	41%	0.406	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-88.2	146.8	175.2	-78	-53	0	0	0	111.6	R1007 V1081 E1082	R1007-D1079 IonicContact CZ-OD1 3.17Å; R1007-D1079 IonicContact NH2-OD1 2.69Å; R1007-D1079 PolarHBondContact NH2-OD1 3.08Å; D1079-V1081 HydrophobicContact CB-CB 4.33Å; D1079-V1081 HydrophobicContact CB-CG2 4.14Å; D1079-V1081 PolarHBondContact O-N 3.18Å; D1079-E1082 PolarHBondContact O-N 3.1Å; D1079-E1082 VanDerWaalsContact O-N 3.15Å
1080	Y	39.8	Very low	52.6	Low	75 Å²	75	61.1 Å²	61.1	29%	0.294	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-18.8	174.9	-63.8	-47.4	0	0	0	113	R1007 Y1012 M1014 E1082 L1083 S1084	R1007-Y1080 HydrophobicContact CG-CE1 4.31Å; R1007-Y1080 VanDerWaalsContact NH1-CE2 3.28Å; Y1012-Y1080 AromaticContact CD1-CD1 3.91Å; Y1012-Y1080 HydrophobicContact CD1-CD1 3.91Å; Y1012-Y1080 AromaticContact CD1-CE1 3.59Å; Y1012-Y1080 HydrophobicContact CD1-CE1 3.59Å; Y1012-Y1080 HydrophobicContact CD2-CE1 4.08Å; Y1012-Y1080 HydrophobicContact CE1-CE1 4.11Å; Y1012-Y1080 HydrophobicContact CG-CD1 4.1Å; Y1012-Y1080 AromaticContact CG-CE1 3.58Å; Y1012-Y1080 HydrophobicContact CG-CE1 3.58Å; M1014-Y1080 HydrophobicContact CE-CD1 4.07Å; M1014-Y1080 HydrophobicContact CE-CE1 3.9Å; Y1080-E1082 VanDerWaalsContact C-N 3.29Å; Y1080-E1082 PolarHBondContact O-N 2.81Å; Y1080-L1083 PolarHBondContact O-N 3.45Å; Y1080-S1084 WeakPolarHBondContact O-CB 3.26Å; Y1080-S1084 PolarHBondContact O-N 2.86Å; Y1080-S1084 PolarHBondContact O-OG 3.39Å
1081	V	38.7	Very low	49.6	Very low	93 Å²	93	65 Å²	65	56%	0.564	36%	0.356	S	S	*	.	H	α-helix	trans	-55.8	-35.5	176.9	-175	0	0	0	0	112.9	D1079 L1083 S1084 S1085	D1079-V1081 HydrophobicContact CB-CB 4.33Å; D1079-V1081 HydrophobicContact CB-CG2 4.14Å; D1079-V1081 PolarHBondContact O-N 3.18Å; V1081-L1083 PolarHBondContact O-N 2.8Å; V1081-S1084 PolarHBondContact O-N 3.11Å; V1081-S1085 PolarHBondContact O-OG 2.99Å
1082	E	36	Very low	46.7	Very low	149 Å²	149	65.1 Å²	65.1	70%	0.696	36%	0.361	S	S	*	.	H	α-helix	trans	-62.2	-17.3	-175.6	-83	-161.7	128.1	0	0	114.5	D1079 Y1080	D1079-E1082 PolarHBondContact O-N 3.1Å; D1079-E1082 VanDerWaalsContact O-N 3.15Å; Y1080-E1082 VanDerWaalsContact C-N 3.29Å; Y1080-E1082 PolarHBondContact O-N 2.81Å
1083	L	35.6	Very low	43.9	Very low	92 Å²	92	65.6 Å²	65.6	48%	0.482	38%	0.38	S	S	.	.	H	α-helix	trans	-131.3	-11.9	171.9	-67.8	173.3	0	0	0	114.6	N1013 Y1080 V1081 S1085	N1013-L1083 HydrophobicContact CB-CD1 3.38Å; Y1080-L1083 PolarHBondContact O-N 3.45Å; V1081-L1083 PolarHBondContact O-N 2.8Å; L1083-S1085 PolarHBondContact O-N 3.32Å
1084	S	34.5	Very low	41.9	Very low	26 Å²	26	73.4 Å²	73.4	18%	0.182	41%	0.408	C	S	.	.	H	α-helix	trans	-77.5	-16.1	179.7	-59.3	0	0	0	0	114.3	C108 Y1080 V1081 L1086 S1087	C108-S1084 WeakPolarHBondContact SG-CB 3.4Å; Y1080-S1084 WeakPolarHBondContact O-CB 3.26Å; Y1080-S1084 PolarHBondContact O-N 2.86Å; Y1080-S1084 PolarHBondContact O-OG 3.39Å; V1081-S1084 PolarHBondContact O-N 3.11Å; S1084-L1086 PolarHBondContact O-N 3.39Å; S1084-S1087 PolarHBondContact O-N 2.83Å; S1084-S1087 PolarHBondContact O-OG 3.33Å; S1084-S1087 VanDerWaalsContact O-OG 3.08Å
1085	S	33.9	Very low	40	Very low	31 Å²	31	73.6 Å²	73.6	22%	0.217	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-7.6	175.1	-46.1	0	0	0	0	114	V1081 L1083 C1089	V1081-S1085 PolarHBondContact O-OG 2.99Å; L1083-S1085 PolarHBondContact O-N 3.32Å; S1085-C1089 PolarHBondContact O-SG 3.32Å
1086	L	35	Very low	38.9	Very low	37 Å²	37	72.1 Å²	72.1	19%	0.194	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-23.1	-175.7	-62.1	177.7	0	0	0	114.2	K171 F172 S1084 L1088 T1091	K171-L1086 WeakPolarHBondContact O-CD2 3.46Å; F172-L1086 HydrophobicContact CB-CD2 3.55Å; F172-L1086 HydrophobicContact CD2-CD1 3.82Å; F172-L1086 HydrophobicContact CD2-CD2 3.66Å; F172-L1086 HydrophobicContact CD2-CG 4.32Å; F172-L1086 HydrophobicContact CG-CD2 4.07Å; S1084-L1086 PolarHBondContact O-N 3.39Å; L1086-L1088 PolarHBondContact O-N 2.84Å; L1086-T1091 WeakPolarHBondContact O-CG2 3.46Å
1087	S	34.8	Very low	37.7	Very low	53 Å²	53	69.2 Å²	69.2	37%	0.371	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-9.9	172.4	59.4	0	0	0	0	112.6	S1084	S1084-S1087 PolarHBondContact O-N 2.83Å; S1084-S1087 PolarHBondContact O-OG 3.33Å; S1084-S1087 VanDerWaalsContact O-OG 3.08Å
1088	L	40.6	Very low	36.2	Very low	21 Å²	21	68.7 Å²	68.7	11%	0.11	38%	0.38	C	S	.	.	S	Bend	trans	-99.9	-35.8	-177.1	-66	170.6	0	0	0	112.8	R123 L1086 M1090	R123-L1088 PolarHBondContact NH1-O 2.67Å; L1086-L1088 PolarHBondContact O-N 2.84Å; L1088-M1090 PolarHBondContact O-N 2.72Å
1089	C	34.9	Very low	34.9	Very low	15 Å²	15	69.6 Å²	69.6	10%	0.101	39%	0.387	C	S	.	.	S	Bend	trans	-91.3	70.8	175.6	56.8	0	0	0	0	113.1	S1085 T1091 P1098 F1100	S1085-C1089 PolarHBondContact O-SG 3.32Å; C1089-T1091 PolarHBondContact O-N 2.84Å; C1089-P1098 WeakPolarHBondContact O-CB 3.22Å; C1089-F1100 HydrophobicContact CB-CZ 4.23Å
1090	M	35.8	Very low	34.3	Very low	51 Å²	51	67 Å²	67	25%	0.251	37%	0.372	S	S	.	.			trans	45.3	66.4	164.3	-56.3	-142.1	-51	0	0	117.6	Q120 L1088 N1092 C1099	Q120-M1090 PolarHBondContact NE2-SD 2.95Å; L1088-M1090 PolarHBondContact O-N 2.72Å; M1090-N1092 PolarHBondContact O-N 2.9Å; M1090-C1099 WeakPolarHBondContact CE-O 3.26Å; M1090-C1099 PolarHBondContact O-N 2.77Å
1091	T	30.2	Very low	33.7	Very low	81 Å²	81	66.6 Å²	66.6	50%	0.497	37%	0.37	S	S	.	.	B	Isolated β-bridge	trans	-70.9	121.9	166.2	48.4	0	0	0	0	112.1	L1086 C1089	L1086-T1091 WeakPolarHBondContact O-CG2 3.46Å; C1089-T1091 PolarHBondContact O-N 2.84Å
1092	N	28.9	Very low	33.1	Very low	78 Å²	78	64 Å²	64	42%	0.417	35%	0.354	S	S	.	.			trans	-80.6	133.1	166	-170.4	-9.2	0	0	0	110.4	M1090 K1094	M1090-N1092 PolarHBondContact O-N 2.9Å; N1092-K1094 PolarHBondContact O-N 2.95Å
1093	S	31.9	Very low	32.6	Very low	119 Å²	119	60 Å²	60	83%	0.832	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	19.4	-166.8	58.5	0	0	0	0	116.4
1094	K	33.3	Very low	32.1	Very low	187 Å²	187	57.4 Å²	57.4	81%	0.813	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.3	-22.7	179.5	-74.4	-165.4	171.5	-171.4	0	116.9	N1092	N1092-K1094 PolarHBondContact O-N 2.95Å
1095	L	31.4	Very low	31.7	Very low	143 Å²	143	67.3 Å²	67.3	75%	0.749	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134	-10	-176.8	-71.3	176	0	0	0	115.1	E1097	L1095-E1097 PolarHBondContact O-N 2.82Å; L1095-E1097 VanDerWaalsContact O-N 3.17Å
1096	G	34.1	Very low	31.2	Very low	40 Å²	40	71.8 Å²	71.8	41%	0.412	39%	0.393	S	S	.	.			trans	68.7	10.9	173.4	0	0	0	0	0	115.9	F172	F172-G1096 WeakPolarHBondContact CE2-O 3.49Å; F172-G1096 WeakPolarHBondContact CZ-O 3.45Å
1097	E	29.9	Very low	30.8	Very low	48 Å²	48	78.4 Å²	78.4	22%	0.224	42%	0.422	C	S	.	.			trans	-85.3	150.1	163.2	-61.3	-131.1	132.1	0	0	111.1	R140 F172 K173 L1095 C1099	R140-E1097 IonicContact CZ-OE2 3.76Å; R140-E1097 IonicContact NH1-OE2 2.69Å; R140-E1097 PolarHBondContact NH1-OE2 3.4Å; R140-E1097 VanDerWaalsContact NH1-OE2 3.08Å; R140-E1097 IonicContact NH2-OE1 2.75Å; R140-E1097 IonicContact NH2-OE2 2.65Å; R140-E1097 PolarHBondContact NH2-OE2 3.43Å; F172-E1097 HydrophobicContact CE1-CB 4.18Å; F172-E1097 HydrophobicContact CE1-CG 4.06Å; F172-E1097 HydrophobicContact CZ-CB 4.25Å; F172-E1097 HydrophobicContact CZ-CG 4.11Å; K173-E1097 IonicContact NZ-OE1 3.89Å; K173-E1097 PolarHBondContact NZ-OE1 3.41Å; L1095-E1097 PolarHBondContact O-N 2.82Å; L1095-E1097 VanDerWaalsContact O-N 3.17Å; E1097-C1099 PolarHBondContact O-N 2.94Å
1098	P	34.7	Very low	30.4	Very low	10 Å²	10	83.2 Å²	83.2	7%	0.065	44%	0.444	C	S	.	.	B	Isolated β-bridge	trans	-78.8	107.9	170.6	33.2	-33.4	0	0	0	109.4	F172 C1089 F1100	F172-P1098 HydrophobicContact CB-CG 4.24Å; F172-P1098 HydrophobicContact CD1-CG 3.75Å; F172-P1098 HydrophobicContact CD2-CG 4.48Å; F172-P1098 HydrophobicContact CE1-CG 4.21Å; F172-P1098 HydrophobicContact CG-CG 3.89Å; C1089-P1098 WeakPolarHBondContact O-CB 3.22Å; P1098-F1100 HydrophobicContact CB-CE2 4Å
1099	C	29.8	Very low	29.8	Very low	37 Å²	37	88.7 Å²	88.7	25%	0.25	48%	0.479	C	S	.	.			trans	-83	135.6	177.3	-56.8	0	0	0	0	110.2	M1090 E1097	M1090-C1099 WeakPolarHBondContact CE-O 3.26Å; M1090-C1099 PolarHBondContact O-N 2.77Å; E1097-C1099 PolarHBondContact O-N 2.94Å
1100	F	36.1	Very low	29.3	Very low	20 Å²	20	93.5 Å²	93.5	9%	0.088	50%	0.495	C	S	.	.			trans	-126.2	142.5	165.6	-63.4	-100.1	0	0	0	108.1	Y127 P132 C133 Y149 Y177 C1089 P1098	Y127-F1100 HydrophobicContact CE2-CD1 4.47Å; P132-F1100 HydrophobicContact CB-CB 4.12Å; P132-F1100 HydrophobicContact CB-CD1 4.11Å; P132-F1100 HydrophobicContact CB-CG 4.47Å; C133-F1100 HydrophobicContact CB-CE1 4.32Å; C133-F1100 HydrophobicContact CB-CZ 4.38Å; C133-F1100 WeakPolarHBondContact SG-CE1 3.48Å; C133-F1100 VanDerWaalsContact SG-CZ 3.56Å; Y149-F1100 HydrophobicContact CE1-CB 4.01Å; Y149-F1100 AromaticContact CE1-CD2 3.55Å; Y149-F1100 HydrophobicContact CE1-CD2 3.55Å; Y149-F1100 HydrophobicContact CE1-CE2 4.18Å; Y149-F1100 AromaticContact CE1-CG 3.9Å; Y149-F1100 HydrophobicContact CE1-CG 3.9Å; Y149-F1100 AromaticContact CZ-CD2 3.91Å; Y149-F1100 WeakPolarHBondContact OH-CD2 3.13Å; Y177-F1100 HydrophobicContact CD1-CE2 4.27Å; C1089-F1100 HydrophobicContact CB-CZ 4.23Å; P1098-F1100 HydrophobicContact CB-CE2 4Å
1101	Y	28.2	Very low	28.8	Very low	67 Å²	67	101.4 Å²	101.4	26%	0.263	54%	0.537	S	S	.	.			trans	-129.7	134.4	-173.5	-75.9	-47.8	0	0	0	113	L211	L211-Y1101 HydrophobicContact CB-CE1 3.91Å; L211-Y1101 HydrophobicContact CD1-CD1 3.38Å; L211-Y1101 HydrophobicContact CD1-CE1 3.48Å; L211-Y1101 VanDerWaalsContact CD1-CE1 3.48Å; L211-Y1101 HydrophobicContact CD1-CG 3.95Å; L211-Y1101 HydrophobicContact CG-CE1 4.32Å
1102	V	25.4	Very low	28.8	Very low	38 Å²	38	102.4 Å²	102.4	23%	0.23	54%	0.539	C	S	.	.			trans	-71.1	129	-172.3	175.8	0	0	0	0	113.7	V147 D148 R207	V147-V1102 HydrophobicContact CG1-CG1 3.91Å; D148-V1102 HydrophobicContact CB-CG2 4.27Å; D148-V1102 WeakPolarHBondContact OD1-CG2 3.27Å; R207-V1102 PolarHBondContact NH1-O 3.44Å
1103	I	26.2	Very low	28.8	Very low	66 Å²	66	103.7 Å²	103.7	34%	0.338	55%	0.545	S	S	.	.			trans	-96.9	107.5	148.2	-66.9	-168.2	0	0	0	108.1	F204 R1105	F204-I1103 HydrophobicContact CD1-CD1 3.89Å; F204-I1103 HydrophobicContact CD1-CG1 4.19Å; F204-I1103 HydrophobicContact CD2-CD1 3.67Å; F204-I1103 HydrophobicContact CE1-CD1 3.64Å; F204-I1103 HydrophobicContact CE1-CG1 3.76Å; F204-I1103 HydrophobicContact CE2-CD1 3.44Å; F204-I1103 VanDerWaalsContact CE2-CD1 3.44Å; F204-I1103 HydrophobicContact CE2-CG1 4.4Å; F204-I1103 HydrophobicContact CG-CD1 3.9Å; F204-I1103 HydrophobicContact CZ-CD1 3.41Å; F204-I1103 VanDerWaalsContact CZ-CD1 3.41Å; F204-I1103 HydrophobicContact CZ-CG1 3.88Å; I1103-R1105 PolarHBondContact O-N 3.47Å
1104	G	25.1	Very low	28.6	Very low	38 Å²	38	102.8 Å²	102.8	39%	0.392	53%	0.529	S	S	.	.			trans	-69	130.5	171.1	0	0	0	0	0	109.1	T1106	G1104-T1106 PolarHBondContact O-N 3.16Å
1105	R	24.5	Very low	28.3	Very low	233 Å²	233	97.9 Å²	97.9	88%	0.879	51%	0.512	S	S	*	.			trans	-57.5	123.6	168	-68.9	177.3	176.4	166	-0.9	108.2	I1103 E1107	I1103-R1105 PolarHBondContact O-N 3.47Å; R1105-E1107 PolarHBondContact O-N 2.95Å
1106	T	25.2	Very low	28.1	Very low	125 Å²	125	95.1 Å²	95.1	77%	0.767	50%	0.498	S	S	*	.			trans	-68.6	112.1	170.2	47.6	0	0	0	0	108.7	G1104 N1108	G1104-T1106 PolarHBondContact O-N 3.16Å; T1106-N1108 PolarHBondContact O-N 3.33Å
1107	E	26.2	Very low	27.7	Very low	176 Å²	176	98.7 Å²	98.7	82%	0.822	50%	0.503	S	S	*	.			trans	-56.2	120.8	172.6	-61.7	-171.3	154.2	0	0	110.1	R1105	R1105-E1107 PolarHBondContact O-N 2.95Å
1108	N	26.1	Very low	27.6	Very low	155 Å²	155	102.4 Å²	102.4	83%	0.829	52%	0.523	S	S	*	.			trans	-146.1	37.7	171.6	-105.2	-29.2	0	0	0	111.8	T1106	T1106-N1108 PolarHBondContact O-N 3.33Å
1109	T	26.8	Very low	27	Very low	135 Å²	135	109.5 Å²	109.5	83%	0.828	56%	0.558	S	S	*	*			trans	-112.4	66.7	169.8	35.4	0	0	0	0	110.6
1110	R	24.8	Very low	26.8	Very low	117 Å²	117	115.5 Å²	115.5	44%	0.442	58%	0.584	S	S	.	*			trans	-137.3	60.8	160.9	-72.2	-162.9	-176.1	166	9.5	111.7	R241 S242 P243	R241-R1110 PolarHBondContact O-NH1 2.84Å; S242-R1110 PolarHBondContact OG-NH1 3.35Å; P243-R1110 WeakPolarHBondContact CG-O 3.48Å
1111	L	26.6	Very low	25.9	Very low	216 Å²	216	124.2 Å²	124.2	100%	1.131	63%	0.629	S	S	*	*				-157	0	120.6	-106	166.2	0	0	0	109.1	P243	P243-L1111 HydrophobicContact CG-CD1 3.89Å; P243-L1111 HydrophobicContact CG-CG 3.74Å

Retrieved 1,111 of 1,111 residues in 390.7 ms (Link to these results)

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