A0A096NME7_PAPAN Loading...

DIS3-like exonuclease 1

Catalytic component of the RNA exosome complex which has 3'->5' exoribonuclease activity and participates in a multitude of cellular RNA processing and degradation events. In the cytoplasm, the RNA exosome complex is involved in general mRNA turnover and specifically degrades inherently unstable mRNAs containing AU-rich elements (AREs) within their 3' untranslated regions, and in RNA surveillance pathways, preventing translation of aberrant mRNAs. It seems to be involved in degradation of histone mRNA.

AlphaFold DB , UniProt , Accession A0A096NME7, Species PAPAN (Papio anubis, Olive baboon), Gene DIS3L, Length 1,054 aa.

						>A0A096NME7_PAPAN|A0A096NME7|DIS3L
MLQKEEKVLLLRTFQGRTLRIVREHYLRPCVPCHSPLCPQPAACSHDGKLLSSDVTHYVIPDWKVVQDYLEILEFPELKGIIFMQTACQAVQHQRGRRQYNKLRNLLKDARHDCILFANEFQQCCYLPRERGESMEKWQTRSIYNAAVWYYHHCQDRMPIVMVTEDEEAVQQYGSETEGVFVISFKNYLDNFWPDLKAAHELCDSILQSRRERENESQESHGKEYPEHLPLEVLEAGIKSGRYIQGILNVNKHRAQIEAFVRLQGASSKDSDLVSDILIHGMKARNRSIHGDVVVVELLPKNEWKGRTVALCENDCDDKASGESPSEPMPTGRVVGILQKNWRDYVVTFPSKEEVQSQGKNAQKILVTPWDYRIPKIRISTQQAEALQDFRVVVRIDSWESTSVYPNGHFVRVLGRIGDLEGEIATILVENSISVIPFSEAQMCEMPVNTPENPWKVSREEEQKRKDLRKSHLVFSIDPKGCEDVDDTLSIRTLNNGNLELGVHIADVTHFVAPNSYIDIEARTRATTYYLADRRYDMLPSVLSADLCSLLGGVDRYAVSIMWELDKTSYEIKEVWYGRTIIRSAYKLFYEAAQELLDGNFSVVDDIPEFKDLDEKSRQAKLEELVWAIGKLTDIARHVRAKRDGCGALELEGVEVRVQLDDKKNIHDLIPKQPLEVHETVAECMILANHWVAKKIWESFPHQALLRQHPPPHQEFFSELRECAKAKGFFIDTRSNKTLADSLDNANDPHDPIVNRLLRSMATQAMSNALYFSTGSCAEEEFHHYGLALDTYTHFTSPIRRYSDIVVHRLLMAAISKDKKMEIKGNLFSNKDLEELCRHINNRNRAAQHSQKQSTELFQCMYFKDKDPATEERCISDGVIYSIRTNGVLVFIPRFGIKGAAYLKNKDGLVISSGPDSRSAWKPGSLQRFQNKITSTTTDGESVTFHLFDHVTVRISVQASRCHSDTIRLEIISNKPYKIPNTELIHQSSPLLKSELVKEVTKSMEEAQLAQEVKVNIIQEEYQEYCQTKGRSLYTLLEEIRDLALLDVSNNYGI
					

Structure Viewer

Loading PAE data...

(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	50.2	Low	73.6	Confident	244 Å²	244	99.3 Å²	99.3	100%	1.202	49%	0.491	S	S	*	.				0	138.5	0	-76.6	-178.5	-169.1	0	0	107.6
2	L	63.6	Low	72.7	Confident	89 Å²	89	108.9 Å²	108.9	47%	0.466	52%	0.518	S	S	.	.			trans	-69.8	132.7	172.4	-67.7	168.7	0	0	0	108.6	Y26 L27 R28	L2-Y26 HydrophobicContact CB-CD1 4.16Å; L2-Y26 HydrophobicContact CD1-CD1 4.43Å; L2-L27 WeakPolarHBondContact CD2-O 3.12Å; L2-R28 HydrophobicContact CD2-CB 4.21Å; L2-R28 HydrophobicContact CD2-CG 3.82Å
3	Q	81.8	Confident	72	Confident	79 Å²	79	103.6 Å²	103.6	37%	0.369	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	131.8	173.4	174.6	178.5	-5.8	0	0	108.1	E5 L27	Q3-E5 PolarHBondContact NE2-OE1 3.4Å; Q3-L27 HydrophobicContact CB-CB 4.13Å; Q3-L27 HydrophobicContact CG-CD1 4.17Å; Q3-L27 PolarHBondContact N-O 3.46Å; Q3-L27 PolarHBondContact O-N 2.97Å
4	K	83.5	Confident	70	Confident	103 Å²	103	103.2 Å²	103.2	45%	0.448	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.4	-175.7	-178.7	-172.4	179.3	-178.9	0	109.2	E24 Y26	K4-E24 VanDerWaalsContact CE-CG 3.48Å; K4-E24 WeakPolarHBondContact CE-OE1 3.44Å; K4-E24 VanDerWaalsContact NZ-CD 3.34Å; K4-E24 IonicContact NZ-OE1 2.88Å; K4-E24 PolarHBondContact NZ-OE1 2.89Å; K4-Y26 HydrophobicContact CB-CE1 4.42Å; K4-Y26 HydrophobicContact CD-CE1 4.48Å; K4-Y26 HydrophobicContact CG-CE1 4.27Å
5	E	83.7	Confident	69.2	Low	73 Å²	73	106.4 Å²	106.4	34%	0.341	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	164.3	171.1	-63.5	-61.3	157.2	0	0	110.2	Q3 H25 L27 Y126	Q3-E5 PolarHBondContact NE2-OE1 3.4Å; E5-H25 HydrophobicContact CB-CB 4.42Å; E5-H25 PolarHBondContact N-O 3.17Å; E5-H25 PolarHBondContact O-N 3.23Å; E5-L27 HydrophobicContact CG-CD1 3.8Å; E5-L27 HydrophobicContact CG-CG 4.23Å; E5-Y126 HydrophobicContact CB-CE1 4.49Å; E5-Y126 HydrophobicContact CG-CE1 4.14Å
6	E	83.3	Confident	68.4	Low	131 Å²	131	103.3 Å²	103.3	61%	0.612	51%	0.511	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	115.8	175.1	-68.9	-171.6	171.2	0	0	110.9	V22	E6-V22 HydrophobicContact CB-CG1 3.95Å; E6-V22 HydrophobicContact CG-CG1 4.1Å
7	K	78.7	Confident	68.5	Low	53 Å²	53	107.5 Å²	107.5	23%	0.23	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	109.6	172.8	-166.4	169.4	-172.2	172.6	0	109	L9 R23 H25 E120	K7-L9 HydrophobicContact CG-CD2 4.37Å; K7-R23 PolarHBondContact N-O 3.2Å; K7-R23 PolarHBondContact O-N 2.61Å; K7-H25 HydrophobicContact CB-CB 4.16Å; K7-E120 IonicContact NZ-OE2 3.01Å; K7-E120 PolarHBondContact NZ-OE2 3.16Å
8	V	76.3	Confident	68.7	Low	67 Å²	67	106.6 Å²	106.6	41%	0.406	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	119.4	176.1	-173.8	0	0	0	0	109.5	R20 V22	V8-R20 HydrophobicContact CG1-CG 3.65Å; V8-V22 HydrophobicContact CG2-CG2 4.32Å
9	L	71.1	Confident	68.9	Low	48 Å²	48	105.7 Å²	105.7	25%	0.251	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	130.6	175.9	-61.7	172.9	0	0	0	109.2	K7 L11 I21 R23	K7-L9 HydrophobicContact CG-CD2 4.37Å; L9-L11 HydrophobicContact CB-CD2 4.44Å; L9-L11 HydrophobicContact CB-CG 4.4Å; L9-I21 HydrophobicContact CB-CB 4.39Å; L9-I21 PolarHBondContact N-O 3.18Å; L9-I21 PolarHBondContact O-N 3.14Å; L9-R23 HydrophobicContact CD1-CG 4.34Å
10	L	70.7	Confident	69.6	Low	129 Å²	129	109.2 Å²	109.2	68%	0.675	53%	0.526	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	101.9	169.6	-67.4	169.5	0	0	0	107.6	T18 L19 R20	L10-T18 HydrophobicContact CB-CG2 4.31Å; L10-T18 HydrophobicContact CD2-CG2 4.13Å; L10-L19 WeakPolarHBondContact CA-O 3.3Å; L10-R20 HydrophobicContact CD2-CB 4.08Å; L10-R20 HydrophobicContact CD2-CG 4.28Å
11	L	66.8	Low	70.1	Confident	76 Å²	76	106.4 Å²	106.4	40%	0.398	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	138.9	178	-60.3	-170.5	0	0	0	109.8	L9 T18 L19 I21	L9-L11 HydrophobicContact CB-CD2 4.44Å; L9-L11 HydrophobicContact CB-CG 4.4Å; L11-T18 CarbonylContact O-C 3.56Å; L11-L19 PolarHBondContact N-O 3.4Å; L11-L19 PolarHBondContact O-N 3.17Å; L11-I21 HydrophobicContact CB-CD1 4.46Å; L11-I21 HydrophobicContact CD1-CD1 3.49Å; L11-I21 VanDerWaalsContact CD1-CD1 3.49Å; L11-I21 HydrophobicContact CD1-CG1 4.41Å; L11-I21 HydrophobicContact CG-CD1 4.11Å
12	R	63.1	Low	71.7	Confident	215 Å²	215	98.1 Å²	98.1	81%	0.811	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	130.7	166.5	-73.3	-177.1	177.4	177.5	0.1	108.9	R17	R12-R17 CarbonylContact C-O 3.37Å; R12-R17 WeakPolarHBondContact CA-O 3.29Å
13	T	62.8	Low	72.6	Confident	40 Å²	40	100.8 Å²	100.8	25%	0.245	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-73.2	164.8	173.1	62	0	0	0	0	110.7	Q15 G16 R17 L19	T13-Q15 PolarHBondContact O-N 2.83Å; T13-Q15 PolarHBondContact OG1-N 3.06Å; T13-G16 PolarHBondContact O-N 3.12Å; T13-R17 PolarHBondContact N-O 3.41Å; T13-R17 PolarHBondContact OG1-N 3.05Å; T13-R17 VanDerWaalsContact OG1-N 3.11Å; T13-R17 PolarHBondContact OG1-O 3.05Å; T13-L19 HydrophobicContact CG2-CB 4.37Å; T13-L19 HydrophobicContact CG2-CD1 3.14Å; T13-L19 HydrophobicContact CG2-CD2 4.46Å; T13-L19 HydrophobicContact CG2-CG 3.4Å
14	F	44.8	Very low	72.9	Confident	98 Å²	98	102.1 Å²	102.1	43%	0.43	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-17.8	169.4	-154.3	-95.9	0	0	0	113.6	E235 A236	F14-E235 HydrophobicContact CE2-CB 3.8Å; F14-E235 VanDerWaalsContact CE2-OE2 3.29Å; F14-E235 WeakPolarHBondContact CE2-OE2 3.41Å; F14-E235 HydrophobicContact CZ-CB 3.73Å; F14-A236 HydrophobicContact CE1-CB 3.76Å; F14-A236 HydrophobicContact CZ-CB 3.91Å
15	Q	57.7	Low	73	Confident	151 Å²	151	97.8 Å²	97.8	71%	0.706	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	11	176.1	-63.6	178.9	-8.3	0	0	113.2	T13 R17	T13-Q15 PolarHBondContact O-N 2.83Å; T13-Q15 PolarHBondContact OG1-N 3.06Å; Q15-R17 VanDerWaalsContact C-N 3.28Å; Q15-R17 PolarHBondContact O-N 3.1Å
16	G	56.4	Low	73.2	Confident	56 Å²	56	98.8 Å²	98.8	58%	0.577	47%	0.469	S	S	*	.	S	Bend	trans	75.4	6	179.3	0	0	0	0	0	115.5	T13	T13-G16 PolarHBondContact O-N 3.12Å
17	R	70.9	Confident	73.5	Confident	175 Å²	175	92.7 Å²	92.7	66%	0.66	44%	0.441	S	S	*	.			trans	-80.8	138.3	176.4	-62.3	-177.5	-179.4	178.8	0.5	110.1	R12 T13 Q15 L19	R12-R17 CarbonylContact C-O 3.37Å; R12-R17 WeakPolarHBondContact CA-O 3.29Å; T13-R17 PolarHBondContact N-O 3.41Å; T13-R17 PolarHBondContact OG1-N 3.05Å; T13-R17 VanDerWaalsContact OG1-N 3.11Å; T13-R17 PolarHBondContact OG1-O 3.05Å; Q15-R17 VanDerWaalsContact C-N 3.28Å; Q15-R17 PolarHBondContact O-N 3.1Å; R17-L19 PolarHBondContact O-N 2.85Å
18	T	70.6	Confident	73.9	Confident	92 Å²	92	96.6 Å²	96.6	56%	0.564	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	110.4	174	-54.3	0	0	0	0	109	L10 L11	L10-T18 HydrophobicContact CB-CG2 4.31Å; L10-T18 HydrophobicContact CD2-CG2 4.13Å; L11-T18 CarbonylContact O-C 3.56Å
19	L	73.9	Confident	74.2	Confident	89 Å²	89	97 Å²	97	47%	0.466	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	128.8	170.7	-76.2	177.2	0	0	0	110.1	L10 L11 T13 R17 I21	L10-L19 WeakPolarHBondContact CA-O 3.3Å; L11-L19 PolarHBondContact N-O 3.4Å; L11-L19 PolarHBondContact O-N 3.17Å; T13-L19 HydrophobicContact CG2-CB 4.37Å; T13-L19 HydrophobicContact CG2-CD1 3.14Å; T13-L19 HydrophobicContact CG2-CD2 4.46Å; T13-L19 HydrophobicContact CG2-CG 3.4Å; R17-L19 PolarHBondContact O-N 2.85Å; L19-I21 HydrophobicContact CB-CG1 4.37Å
20	R	82.1	Confident	74.7	Confident	176 Å²	176	97.6 Å²	97.6	66%	0.664	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	110.3	165.1	-175.7	179.9	173.3	-169.2	-3.5	108.4	V8 L10	V8-R20 HydrophobicContact CG1-CG 3.65Å; L10-R20 HydrophobicContact CD2-CB 4.08Å; L10-R20 HydrophobicContact CD2-CG 4.28Å
21	I	81.1	Confident	75.5	Confident	51 Å²	51	91.9 Å²	91.9	26%	0.262	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.1	174.5	-56.7	-169.4	0	0	0	107.9	L9 L11 L19 R23	L9-I21 HydrophobicContact CB-CB 4.39Å; L9-I21 PolarHBondContact N-O 3.18Å; L9-I21 PolarHBondContact O-N 3.14Å; L11-I21 HydrophobicContact CB-CD1 4.46Å; L11-I21 HydrophobicContact CD1-CD1 3.49Å; L11-I21 VanDerWaalsContact CD1-CD1 3.49Å; L11-I21 HydrophobicContact CD1-CG1 4.41Å; L11-I21 HydrophobicContact CG-CD1 4.11Å; L19-I21 HydrophobicContact CB-CG1 4.37Å; I21-R23 HydrophobicContact CG2-CG 3.91Å
22	V	83.3	Confident	76.5	Confident	69 Å²	69	90.2 Å²	90.2	42%	0.418	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	120.7	170.1	-174	0	0	0	0	107.2	E6 V8	E6-V22 HydrophobicContact CB-CG1 3.95Å; E6-V22 HydrophobicContact CG-CG1 4.1Å; V8-V22 HydrophobicContact CG2-CG2 4.32Å
23	R	83.3	Confident	77.6	Confident	146 Å²	146	80 Å²	80	55%	0.551	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	137.4	173.3	-65.8	-169.3	178	179.5	-0	109.2	K7 L9 I21 H25	K7-R23 PolarHBondContact N-O 3.2Å; K7-R23 PolarHBondContact O-N 2.61Å; L9-R23 HydrophobicContact CD1-CG 4.34Å; I21-R23 HydrophobicContact CG2-CG 3.91Å; R23-H25 PolarHBondContact O-N 3.15Å
24	E	87.5	Confident	78.8	Confident	107 Å²	107	79.5 Å²	79.5	50%	0.5	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	128.4	168.6	-53.5	-176.3	149.1	0	0	108.7	K4 Y26	K4-E24 VanDerWaalsContact CE-CG 3.48Å; K4-E24 WeakPolarHBondContact CE-OE1 3.44Å; K4-E24 VanDerWaalsContact NZ-CD 3.34Å; K4-E24 IonicContact NZ-OE1 2.88Å; K4-E24 PolarHBondContact NZ-OE1 2.89Å; E24-Y26 HydrophobicContact CB-CD2 4.33Å; E24-Y26 HydrophobicContact CB-CE2 3.64Å; E24-Y26 WeakPolarHBondContact OE2-CE2 3.48Å; E24-Y26 PolarHBondContact OE2-OH 3.19Å
25	H	85.1	Confident	80.8	Confident	12 Å²	12	74.9 Å²	74.9	6%	0.056	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	107	179.1	-169.9	80.9	0	0	0	108.5	E5 K7 R23 E120 F121 Y126	E5-H25 HydrophobicContact CB-CB 4.42Å; E5-H25 PolarHBondContact N-O 3.17Å; E5-H25 PolarHBondContact O-N 3.23Å; K7-H25 HydrophobicContact CB-CB 4.16Å; R23-H25 PolarHBondContact O-N 3.15Å; H25-E120 PolarHBondContact NE2-O 3.48Å; H25-F121 AromaticContact CE1-CD1 3.55Å; H25-F121 AromaticContact CE1-CE1 3.42Å; H25-F121 VanDerWaalsContact CE1-CE1 3.42Å; H25-F121 WeakPolarHBondContact CE1-CE1 3.44Å; H25-F121 AromaticContact ND1-CE1 3.78Å; H25-F121 AromaticContact NE2-CD1 3.93Å; H25-Y126 AromaticContact CD2-CE2 3.64Å; H25-Y126 AromaticContact CD2-CZ 3.9Å; H25-Y126 AromaticContact NE2-CD2 3.6Å; H25-Y126 AromaticContact NE2-CE2 3.42Å; H25-Y126 WeakPolarHBondContact NE2-CE2 3.49Å
26	Y	88.8	Confident	82.2	Confident	93 Å²	93	70.5 Å²	70.5	37%	0.365	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	119.8	-175.1	-68.8	-86.6	0	0	0	110.6	L2 K4 E24	L2-Y26 HydrophobicContact CB-CD1 4.16Å; L2-Y26 HydrophobicContact CD1-CD1 4.43Å; K4-Y26 HydrophobicContact CB-CE1 4.42Å; K4-Y26 HydrophobicContact CD-CE1 4.48Å; K4-Y26 HydrophobicContact CG-CE1 4.27Å; E24-Y26 HydrophobicContact CB-CD2 4.33Å; E24-Y26 HydrophobicContact CB-CE2 3.64Å; E24-Y26 WeakPolarHBondContact OE2-CE2 3.48Å; E24-Y26 PolarHBondContact OE2-OH 3.19Å
27	L	89	Confident	83.6	Confident	3 Å²	3	69.7 Å²	69.7	2%	0.016	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	128.2	173.3	-56.8	-176.9	0	0	0	109.8	L2 Q3 E5 E120 Q123 Y126	L2-L27 WeakPolarHBondContact CD2-O 3.12Å; Q3-L27 HydrophobicContact CB-CB 4.13Å; Q3-L27 HydrophobicContact CG-CD1 4.17Å; Q3-L27 PolarHBondContact N-O 3.46Å; Q3-L27 PolarHBondContact O-N 2.97Å; E5-L27 HydrophobicContact CG-CD1 3.8Å; E5-L27 HydrophobicContact CG-CG 4.23Å; L27-E120 WeakPolarHBondContact CD2-O 2.9Å; L27-Q123 HydrophobicContact CB-CB 4.13Å; L27-Q123 HydrophobicContact CB-CG 4.29Å; L27-Y126 HydrophobicContact CD1-CD1 3.71Å; L27-Y126 HydrophobicContact CD1-CE1 4.4Å; L27-Y126 HydrophobicContact CD1-CG 4.2Å; L27-Y126 HydrophobicContact CD2-CD1 3.72Å; L27-Y126 HydrophobicContact CD2-CD2 3.92Å; L27-Y126 HydrophobicContact CD2-CE1 4.37Å; L27-Y126 HydrophobicContact CD2-CG 3.44Å; L27-Y126 VanDerWaalsContact CD2-CG 3.44Å; L27-Y126 HydrophobicContact CG-CD1 4.31Å; L27-Y126 HydrophobicContact CG-CG 4.46Å
28	R	87.8	Confident	84.2	Confident	136 Å²	136	62 Å²	62	51%	0.513	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-105.9	138.2	-178	-58.1	-178.4	178.2	-139.6	-1.5	108.4	L2 C30 V31 F121 Q122 Q123	L2-R28 HydrophobicContact CD2-CB 4.21Å; L2-R28 HydrophobicContact CD2-CG 3.82Å; R28-C30 VanDerWaalsContact C-N 3.3Å; R28-V31 HydrophobicContact CB-CG2 4.07Å; R28-F121 PolarHBondContact N-O 3.1Å; R28-Q122 PolarHBondContact O-OE1 3.43Å; R28-Q123 VanDerWaalsContact O-CB 3.28Å; R28-Q123 WeakPolarHBondContact O-CB 3.45Å; R28-Q123 PolarHBondContact O-N 2.7Å
29	P	82.8	Confident	84.6	Confident	75 Å²	75	60.5 Å²	60.5	49%	0.487	30%	0.297	S	S	.	.	S	Bend	trans	-73.4	-27.9	173	28.8	-33.6	0	0	0	112	Q122	P29-Q122 PolarHBondContact O-NE2 2.99Å; P29-Q122 VanDerWaalsContact O-NE2 3.1Å; P29-Q122 PolarHBondContact O-OE1 3.13Å
30	C	80.9	Confident	84.7	Confident	61 Å²	61	62.1 Å²	62.1	41%	0.412	30%	0.302	S	S	.	.			trans	-119.9	104.3	-178.3	-54	0	0	0	0	109.7	R28 A43	R28-C30 VanDerWaalsContact C-N 3.3Å; C30-A43 WeakPolarHBondContact CB-O 3.29Å
31	V	87.3	Confident	84	Confident	9 Å²	9	57.4 Å²	57.4	6%	0.055	30%	0.295	C	S	.	.			trans	-112.7	129.5	164.6	173.7	0	0	0	0	107.1	R28 C33 F117 A118 F121 Q122	R28-V31 HydrophobicContact CB-CG2 4.07Å; V31-C33 PolarHBondContact O-N 3.45Å; V31-C33 VanDerWaalsContact O-N 3.13Å; V31-F117 HydrophobicContact CB-CE2 4.32Å; V31-F117 HydrophobicContact CG1-CD2 4.29Å; V31-F117 HydrophobicContact CG1-CE2 3.88Å; V31-F117 HydrophobicContact CG1-CZ 4.5Å; V31-A118 HydrophobicContact CG1-CB 3.88Å; V31-F121 HydrophobicContact CG2-CB 4.34Å; V31-Q122 HydrophobicContact CB-CB 4.04Å; V31-Q122 HydrophobicContact CB-CG 4.49Å; V31-Q122 HydrophobicContact CG2-CB 3.82Å
32	P	87.6	Confident	83.1	Confident	40 Å²	40	60 Å²	60	26%	0.26	32%	0.323	S	S	.	.			trans	-55.7	120.1	-179.9	-25.9	34.9	0	0	0	111.3	H34 S45	P32-H34 PolarHBondContact O-CD2 3.3Å; P32-S45 WeakPolarHBondContact CG-O 3.44Å
33	C	86.5	Confident	82.1	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.32	C	S	.	.			trans	-76.3	-28.4	177.8	64.1	0	0	0	0	111.7	V31 S35 C38 F117 W149 Y150 H153	V31-C33 PolarHBondContact O-N 3.45Å; V31-C33 VanDerWaalsContact O-N 3.13Å; C33-S35 PolarHBondContact O-N 3.06Å; C33-C38 VanDerWaalsContact SG-SG 3.7Å; C33-F117 HydrophobicContact CB-CE2 4.5Å; C33-W149 HydrophobicContact CB-CH2 4.47Å; C33-Y150 HydrophobicContact CB-CE2 4.1Å; C33-Y150 PolarHBondContact O-OH 3.17Å; C33-H153 PolarHBondContact SG-NE2 3.15Å
34	H	87.8	Confident	81.2	Confident	31 Å²	31	52.2 Å²	52.2	14%	0.144	30%	0.297	C	S	.	.			trans	64.2	18.9	-174	-59.9	-80.8	0	0	0	115.2	P32 K49 L50 L51 I115	P32-H34 PolarHBondContact O-CD2 3.3Å; H34-K49 WeakPolarHBondContact CB-O 3.44Å; H34-K49 PolarHBondContact ND1-O 2.79Å; H34-L50 WeakPolarHBondContact O-CA 3.42Å; H34-L51 PolarHBondContact O-N 3.18Å; H34-I115 HydrophobicContact CB-CB 4.13Å; H34-I115 HydrophobicContact CB-CD1 4.16Å; H34-I115 HydrophobicContact CB-CG1 4.12Å; H34-I115 HydrophobicContact CB-CG2 3.97Å
35	S	87.7	Confident	79.9	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.3	C	S	.	.			trans	-95.9	137.9	170.1	177.7	0	0	0	0	111.2	C33 L37 C38 Y58	C33-S35 PolarHBondContact O-N 3.06Å; S35-L37 PolarHBondContact O-N 3.25Å; S35-L37 PolarHBondContact OG-N 3.07Å; S35-L37 VanDerWaalsContact OG-N 3.15Å; S35-C38 WeakPolarHBondContact O-CB 3.43Å; S35-C38 PolarHBondContact O-N 3.4Å; S35-Y58 PolarHBondContact OG-OH 3.23Å
36	P	85.1	Confident	78.7	Confident	59 Å²	59	53.3 Å²	53.3	38%	0.383	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-15.2	170.6	28	-35.6	0	0	0	113.1	C38 L51	P36-C38 VanDerWaalsContact C-N 3.26Å; P36-C38 PolarHBondContact O-N 3.15Å; P36-L51 WeakPolarHBondContact CD-O 3.48Å
37	L	86	Confident	77.3	Confident	40 Å²	40	56.5 Å²	56.5	21%	0.209	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	11.7	178.2	-59.6	175.7	0	0	0	113.1	S35 C154 M158	S35-L37 PolarHBondContact O-N 3.25Å; S35-L37 PolarHBondContact OG-N 3.07Å; S35-L37 VanDerWaalsContact OG-N 3.15Å; L37-C154 HydrophobicContact CB-CB 4.39Å; L37-M158 HydrophobicContact CD1-CB 3.78Å; L37-M158 HydrophobicContact CD1-CE 3.75Å; L37-M158 HydrophobicContact CD1-CG 4.46Å
38	C	83.9	Confident	76.2	Confident	13 Å²	13	58 Å²	58	9%	0.088	35%	0.35	C	S	.	.			trans	-60.7	127	179	-172.9	0	0	0	0	111.1	C33 S35 P36 Q40 C44 H153	C33-C38 VanDerWaalsContact SG-SG 3.7Å; S35-C38 WeakPolarHBondContact O-CB 3.43Å; S35-C38 PolarHBondContact O-N 3.4Å; P36-C38 VanDerWaalsContact C-N 3.26Å; P36-C38 PolarHBondContact O-N 3.15Å; C38-Q40 PolarHBondContact O-N 3.01Å; C38-C44 VanDerWaalsContact SG-SG 3.62Å; C38-H153 PolarHBondContact SG-NE2 2.64Å
39	P	79.9	Confident	75.7	Confident	60 Å²	60	54.6 Å²	54.6	39%	0.39	34%	0.339	S	S	.	.	S	Bend	trans	-72.7	-16.2	178.3	28.1	-35.3	0	0	0	113.1	H153 Q155	P39-H153 WeakPolarHBondContact CD-O 3.28Å; P39-H153 WeakPolarHBondContact CG-O 3.36Å; P39-Q155 HydrophobicContact CB-CG 4.35Å
40	Q	76.4	Confident	75.8	Confident	124 Å²	124	55 Å²	55	58%	0.579	34%	0.337	S	S	*	.			trans	-134.7	66.7	-178	-62.3	-174.6	0.9	0	0	111.8	C38 A42 A43 C44	C38-Q40 PolarHBondContact O-N 3.01Å; Q40-A42 PolarHBondContact O-N 2.92Å; Q40-A43 HydrophobicContact CB-CB 4.05Å; Q40-A43 PolarHBondContact O-N 2.72Å; Q40-C44 PolarHBondContact O-N 3.11Å; Q40-C44 VanDerWaalsContact O-N 3.16Å
41	P	67.3	Low	76	Confident	77 Å²	77	52.4 Å²	52.4	50%	0.5	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-25.9	-175.1	24.5	-32.3	0	0	0	113.2	H46	P41-H46 PolarHBondContact O-CD2 2.8Å
42	A	61.3	Low	75.8	Confident	105 Å²	105	53.8 Å²	53.8	87%	0.868	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-25.4	175.5	0	0	0	0	0	113.6	Q40	Q40-A42 PolarHBondContact O-N 2.92Å
43	A	62.9	Low	75.3	Confident	43 Å²	43	56.2 Å²	56.2	36%	0.355	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-24.2	177.3	0	0	0	0	0	112.2	C30 Q40	C30-A43 WeakPolarHBondContact CB-O 3.29Å; Q40-A43 HydrophobicContact CB-CB 4.05Å; Q40-A43 PolarHBondContact O-N 2.72Å
44	C	64.1	Low	75.1	Confident	8 Å²	8	63 Å²	63	5%	0.054	38%	0.383	C	S	.	.	S	Bend	trans	-94.8	88.2	172.4	-66.3	0	0	0	0	109.3	C38 Q40 H46	C38-C44 VanDerWaalsContact SG-SG 3.62Å; Q40-C44 PolarHBondContact O-N 3.11Å; Q40-C44 VanDerWaalsContact O-N 3.16Å; C44-H46 PolarHBondContact O-CD2 3.15Å; C44-H46 VanDerWaalsContact O-CG 3.26Å; C44-H46 PolarHBondContact O-N 3.01Å; C44-H46 PolarHBondContact O-NE2 3.29Å
45	S	59.3	Low	75.1	Confident	80 Å²	80	62.7 Å²	62.7	56%	0.559	38%	0.384	S	S	*	.			trans	-53.8	110.1	178.6	-165.2	0	0	0	0	111.3	P32 D47	P32-S45 WeakPolarHBondContact CG-O 3.44Å; S45-D47 PolarHBondContact O-N 2.96Å
46	H	60.3	Low	75.2	Confident	62 Å²	62	68.1 Å²	68.1	29%	0.287	42%	0.417	S	S	.	.			trans	-93.5	68.8	-175.4	-64.6	-70.9	0	0	0	111.5	P41 C44 G48	P41-H46 PolarHBondContact O-CD2 2.8Å; C44-H46 PolarHBondContact O-CD2 3.15Å; C44-H46 VanDerWaalsContact O-CG 3.26Å; C44-H46 PolarHBondContact O-N 3.01Å; C44-H46 PolarHBondContact O-NE2 3.29Å; H46-G48 PolarHBondContact O-N 3.01Å
47	D	59.1	Low	75.5	Confident	160 Å²	160	65.8 Å²	65.8	86%	0.856	40%	0.401	S	S	*	.			trans	-85.7	8.9	171.2	-83.8	-18.8	0	0	0	112.9	S45	S45-D47 PolarHBondContact O-N 2.96Å
48	G	65.4	Low	76	Confident	35 Å²	35	63.9 Å²	63.9	36%	0.361	39%	0.391	S	S	.	.	S	Bend	trans	-133.3	172	-173.8	0	0	0	0	0	113.8	H46	H46-G48 PolarHBondContact O-N 3.01Å
49	K	78.1	Confident	76.5	Confident	65 Å²	65	63.3 Å²	63.3	28%	0.283	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-50.4	135.5	178	-172.1	175.4	-170.9	170	0	111.5	H34 D109 A110 H112	H34-K49 WeakPolarHBondContact CB-O 3.44Å; H34-K49 PolarHBondContact ND1-O 2.79Å; K49-D109 PolarHBondContact NZ-O 3.04Å; K49-A110 VanDerWaalsContact NZ-C 3.26Å; K49-A110 PolarHBondContact NZ-O 3.15Å; K49-H112 PolarHBondContact NZ-O 3.38Å
50	L	84.6	Confident	77.4	Confident	83 Å²	83	60.4 Å²	60.4	44%	0.435	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-97.4	146.5	171.8	-68.2	175.4	0	0	0	109.9	H34	H34-L50 WeakPolarHBondContact O-CA 3.42Å
51	L	85.9	Confident	78.3	Confident	6 Å²	6	54.5 Å²	54.5	3%	0.031	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-65.8	150.3	170.1	-67.3	167.7	0	0	0	110.8	H34 P36 Y58 I82 D113 I115	H34-L51 PolarHBondContact O-N 3.18Å; P36-L51 WeakPolarHBondContact CD-O 3.48Å; L51-Y58 HydrophobicContact CB-CE1 3.9Å; L51-Y58 HydrophobicContact CD1-CD1 4.08Å; L51-Y58 HydrophobicContact CD1-CD2 4.22Å; L51-Y58 HydrophobicContact CD1-CE1 3.76Å; L51-Y58 HydrophobicContact CD1-CE2 3.91Å; L51-Y58 HydrophobicContact CD1-CG 4.31Å; L51-Y58 HydrophobicContact CG-CE1 4.38Å; L51-I82 HydrophobicContact CD1-CD1 3.89Å; L51-I82 HydrophobicContact CD1-CG1 3.71Å; L51-D113 WeakPolarHBondContact CA-OD1 3.48Å; L51-I115 HydrophobicContact CD1-CG1 3.92Å; L51-I115 HydrophobicContact CD2-CB 4.34Å; L51-I115 HydrophobicContact CD2-CG1 3.76Å; L51-I115 HydrophobicContact CD2-CG2 3.84Å; L51-I115 HydrophobicContact CG-CG1 3.8Å; L51-I115 HydrophobicContact CG-CG2 3.98Å
52	S	82.3	Confident	79.7	Confident	38 Å²	38	50.9 Å²	50.9	27%	0.266	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-59.6	143	171.5	-173.9	0	0	0	0	111.1	D54 D113	S52-D54 VanDerWaalsContact C-N 3.34Å; S52-D54 PolarHBondContact OG-N 3.33Å; S52-D54 VanDerWaalsContact OG-N 3.1Å; S52-D113 WeakPolarHBondContact CB-OD2 3.16Å; S52-D113 PolarHBondContact N-OD1 3.09Å; S52-D113 VanDerWaalsContact N-OD1 3.11Å; S52-D113 PolarHBondContact N-OD2 3.1Å; S52-D113 VanDerWaalsContact N-OD2 3.15Å
53	S	77.2	Confident	81.2	Confident	92 Å²	92	46.5 Å²	46.5	64%	0.643	28%	0.278	S	S	*	.	S	Bend	trans	-85.7	-12.7	169.3	54.2	0	0	0	0	112.4	V55	S53-V55 VanDerWaalsContact C-N 3.3Å; S53-V55 PolarHBondContact O-N 3.21Å
54	D	82.5	Confident	82.5	Confident	141 Å²	141	47.7 Å²	47.7	75%	0.754	28%	0.275	S	S	*	.	S	Bend	trans	-95.5	47.9	-177.6	-168.3	29.4	0	0	0	111.3	S52	S52-D54 VanDerWaalsContact C-N 3.34Å; S52-D54 PolarHBondContact OG-N 3.33Å; S52-D54 VanDerWaalsContact OG-N 3.1Å
55	V	88.1	Confident	83.9	Confident	26 Å²	26	47.3 Å²	47.3	16%	0.158	27%	0.273	C	S	.	.			trans	-128.2	147.2	175.7	-63.5	0	0	0	0	109.7	S53 Y58 K79 M158	S53-V55 VanDerWaalsContact C-N 3.3Å; S53-V55 PolarHBondContact O-N 3.21Å; V55-Y58 HydrophobicContact CG2-CD1 3.75Å; V55-Y58 HydrophobicContact CG2-CE1 3.5Å; V55-K79 HydrophobicContact CG1-CB 3.72Å; V55-M158 HydrophobicContact CG2-CE 4.28Å; V55-M158 HydrophobicContact CG2-SD 4.44Å
56	T	89.4	Confident	85.5	Confident	114 Å²	114	43.5 Å²	43.5	70%	0.699	25%	0.246	S	C	*	.	S	Bend	trans	-79.9	-23.2	-178.5	58.3	0	0	0	0	112.8
57	H	92.3	Very high	86.8	Confident	9 Å²	9	41.7 Å²	41.7	4%	0.042	24%	0.238	C	C	.	.			trans	-158	163.1	-180	61.3	-76	0	0	0	109.7	M158 P159 V161 Y188 F192	H57-M158 VanDerWaalsContact CA-SD 3.57Å; H57-P159 VanDerWaalsContact CA-O 3.32Å; H57-P159 WeakPolarHBondContact CA-O 3.26Å; H57-P159 HydrophobicContact CB-CB 4.22Å; H57-P159 WeakPolarHBondContact CB-O 3.45Å; H57-V161 HydrophobicContact CB-CG2 4.17Å; H57-Y188 AromaticContact NE2-CE2 3.35Å; H57-Y188 VanDerWaalsContact NE2-CE2 3.35Å; H57-Y188 WeakPolarHBondContact NE2-CE2 3.26Å; H57-Y188 AromaticContact NE2-CZ 3.74Å; H57-Y188 PolarHBondContact NE2-OH 2.98Å; H57-F192 AromaticContact CE1-CD1 3.45Å; H57-F192 VanDerWaalsContact CE1-CD1 3.45Å; H57-F192 WeakPolarHBondContact CE1-CD1 3.47Å; H57-F192 AromaticContact CE1-CE1 3.95Å; H57-F192 AromaticContact CE1-CG 3.92Å; H57-F192 AromaticContact ND1-CD1 3.81Å; H57-F192 AromaticContact ND1-CE1 3.93Å
58	Y	94.9	Very high	88.1	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	144.6	162.8	-63.2	-35	0	0	0	110.7	S35 L51 V55 G80 I82 Y150 M158 P159 I160 V161	S35-Y58 PolarHBondContact OG-OH 3.23Å; L51-Y58 HydrophobicContact CB-CE1 3.9Å; L51-Y58 HydrophobicContact CD1-CD1 4.08Å; L51-Y58 HydrophobicContact CD1-CD2 4.22Å; L51-Y58 HydrophobicContact CD1-CE1 3.76Å; L51-Y58 HydrophobicContact CD1-CE2 3.91Å; L51-Y58 HydrophobicContact CD1-CG 4.31Å; L51-Y58 HydrophobicContact CG-CE1 4.38Å; V55-Y58 HydrophobicContact CG2-CD1 3.75Å; V55-Y58 HydrophobicContact CG2-CE1 3.5Å; Y58-G80 WeakPolarHBondContact CA-O 3.32Å; Y58-I82 HydrophobicContact CD2-CD1 3.75Å; Y58-I82 HydrophobicContact CG-CD1 3.87Å; Y58-Y150 HydrophobicContact CD2-CD1 4.23Å; Y58-Y150 AromaticContact CD2-CE1 3.81Å; Y58-Y150 HydrophobicContact CD2-CE1 3.81Å; Y58-Y150 AromaticContact CE2-CE1 3.89Å; Y58-Y150 HydrophobicContact CE2-CE1 3.89Å; Y58-M158 HydrophobicContact CD1-CG 4.31Å; Y58-M158 HydrophobicContact CD2-CG 3.6Å; Y58-M158 HydrophobicContact CE1-CG 4.41Å; Y58-M158 HydrophobicContact CE2-CB 4.47Å; Y58-M158 HydrophobicContact CE2-CG 3.72Å; Y58-M158 HydrophobicContact CG-CG 3.91Å; Y58-P159 PolarHBondContact N-O 3.35Å; Y58-I160 HydrophobicContact CD2-CD1 3.96Å; Y58-I160 HydrophobicContact CG-CD1 4.35Å; Y58-I160 WeakPolarHBondContact O-CA 3.48Å; Y58-V161 PolarHBondContact O-N 3.39Å
59	V	96	Very high	89.3	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	129.5	177.9	62.4	0	0	0	0	110.6	G80 I81 I82 V161 V163 Y188	V59-G80 PolarHBondContact N-O 3.21Å; V59-I81 HydrophobicContact CG1-CB 4.04Å; V59-I81 HydrophobicContact CG1-CG1 3.65Å; V59-I81 HydrophobicContact CG1-CG2 4.23Å; V59-I82 PolarHBondContact O-N 2.89Å; V59-V161 CarbonylContact C-O 3.52Å; V59-V161 WeakPolarHBondContact CA-O 3.18Å; V59-V163 HydrophobicContact CG2-CG1 4.17Å; V59-V163 HydrophobicContact CG2-CG2 4.05Å; V59-Y188 HydrophobicContact CB-CE2 4.45Å; V59-Y188 HydrophobicContact CG2-CE1 4.24Å; V59-Y188 HydrophobicContact CG2-CE2 4.14Å
60	I	96.9	Very high	89.8	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	100.1	177.9	-64.9	168	0	0	0	108.1	I82 M84 I143 A147 I160 V161 M162 V163	I60-I82 HydrophobicContact CG1-CB 3.93Å; I60-I82 HydrophobicContact CG1-CD1 4.43Å; I60-I82 HydrophobicContact CG1-CG2 4.35Å; I60-M84 HydrophobicContact CB-CE 4.47Å; I60-M84 HydrophobicContact CD1-CE 3.49Å; I60-M84 VanDerWaalsContact CD1-CE 3.49Å; I60-M84 HydrophobicContact CG1-CE 3.9Å; I60-M84 HydrophobicContact CG2-CE 3.69Å; I60-M84 HydrophobicContact CG2-CG 3.86Å; I60-I143 HydrophobicContact CG2-CG2 3.66Å; I60-A147 HydrophobicContact CD1-CB 3.46Å; I60-A147 VanDerWaalsContact CD1-CB 3.46Å; I60-I160 HydrophobicContact CD1-CG2 3.39Å; I60-I160 HydrophobicContact CG1-CG2 4.11Å; I60-V161 PolarHBondContact N-O 2.85Å; I60-M162 WeakPolarHBondContact O-CA 3.39Å; I60-V163 PolarHBondContact O-N 2.76Å; I60-V163 VanDerWaalsContact O-N 3.08Å
61	P	96.7	Very high	89.8	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	131	175.9	29.9	-34	0	0	0	111.6	V65 V66 L73 I81 F83 V163	P61-V65 HydrophobicContact CB-CB 4.24Å; P61-V65 HydrophobicContact CB-CG1 4.02Å; P61-V66 HydrophobicContact CB-CG2 3.67Å; P61-V66 HydrophobicContact CG-CG2 3.63Å; P61-L73 HydrophobicContact CB-CD1 3.98Å; P61-L73 HydrophobicContact CG-CD1 4.12Å; P61-I81 HydrophobicContact CG-CG2 4.07Å; P61-F83 HydrophobicContact CG-CD1 3.8Å; P61-F83 HydrophobicContact CG-CE1 3.73Å; P61-V163 HydrophobicContact CB-CG2 3.88Å
62	D	95.7	Very high	90.1	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	16%	0.156	C	C	.	.			trans	-65.9	160	170.8	-172.3	25.1	0	0	0	111.2	K64 V65 V66 T140 I143 M162 V163 T164	D62-K64 PolarHBondContact O-N 2.95Å; D62-K64 VanDerWaalsContact O-N 3.14Å; D62-V65 PolarHBondContact O-N 3.48Å; D62-V66 WeakPolarHBondContact O-CG2 3.34Å; D62-V66 PolarHBondContact O-N 2.87Å; D62-T140 PolarHBondContact OD2-OG1 3.04Å; D62-I143 VanDerWaalsContact OD1-CD1 3.25Å; D62-I143 WeakPolarHBondContact OD1-CD1 3.45Å; D62-M162 HydrophobicContact CB-CE 4.14Å; D62-V163 WeakPolarHBondContact CB-O 3.45Å; D62-V163 PolarHBondContact N-O 2.83Å; D62-T164 PolarHBondContact OD2-OG1 2.86Å
63	W	92.5	Very high	90.5	Very high	13 Å²	13	25.8 Å²	25.8	5%	0.049	14%	0.144	C	C	.	.	H	α-helix	trans	-55.6	-37.6	-173.8	72.6	-91.1	0	0	0	113.3	Q67 A87 A90 Q94 E136 Q139 T140 I143	W63-Q67 WeakPolarHBondContact O-CB 3.19Å; W63-Q67 PolarHBondContact O-N 3.43Å; W63-Q67 VanDerWaalsContact O-N 3.08Å; W63-A87 HydrophobicContact CB-CB 4.14Å; W63-A90 HydrophobicContact CB-CB 3.69Å; W63-A90 HydrophobicContact CD2-CB 4.42Å; W63-A90 HydrophobicContact CE3-CB 4.29Å; W63-A90 HydrophobicContact CG-CB 4.23Å; W63-Q94 VanDerWaalsContact CZ3-OE1 3.29Å; W63-E136 HydrophobicContact CH2-CG 4.06Å; W63-E136 HydrophobicContact CZ2-CB 3.79Å; W63-E136 HydrophobicContact CZ2-CG 3.63Å; W63-Q139 VanDerWaalsContact CD1-CB 3.43Å; W63-Q139 HydrophobicContact CG-CB 4.07Å; W63-T140 PolarHBondContact NE1-OG1 3.23Å; W63-I143 HydrophobicContact CB-CD1 4.2Å
64	K	91.3	Very high	91	Very high	67 Å²	67	23.6 Å²	23.6	29%	0.291	12%	0.124	S	C	.	.	H	α-helix	trans	-72.1	-34.1	178.6	-166.6	168.4	-179.8	-177.2	0	111.8	D62 Q67 D68 E165	D62-K64 PolarHBondContact O-N 2.95Å; D62-K64 VanDerWaalsContact O-N 3.14Å; K64-Q67 WeakPolarHBondContact O-CB 3.23Å; K64-Q67 PolarHBondContact O-N 3.26Å; K64-D68 WeakPolarHBondContact O-CB 3.34Å; K64-D68 PolarHBondContact O-N 3.15Å; K64-E165 HydrophobicContact CD-CB 4.17Å; K64-E165 HydrophobicContact CG-CB 4.47Å
65	V	93.6	Very high	91.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-69.2	-45.7	175.3	176.9	0	0	0	0	111	P61 D62 Q67 D68 Y69 L73 V163 E165 F185	P61-V65 HydrophobicContact CB-CB 4.24Å; P61-V65 HydrophobicContact CB-CG1 4.02Å; D62-V65 PolarHBondContact O-N 3.48Å; V65-Q67 PolarHBondContact O-N 3.02Å; V65-D68 PolarHBondContact O-N 3.28Å; V65-Y69 HydrophobicContact CB-CD2 4.42Å; V65-Y69 HydrophobicContact CG1-CD2 4.05Å; V65-Y69 WeakPolarHBondContact O-CA 3.47Å; V65-Y69 PolarHBondContact O-N 3.25Å; V65-L73 HydrophobicContact CG1-CD1 4.41Å; V65-V163 HydrophobicContact CB-CG2 4.49Å; V65-V163 HydrophobicContact CG1-CG2 3.95Å; V65-V163 HydrophobicContact CG2-CG2 4.47Å; V65-V163 WeakPolarHBondContact CG2-O 3.39Å; V65-E165 HydrophobicContact CG2-CG 4.07Å; V65-F185 HydrophobicContact CG1-CB 4.29Å; V65-F185 HydrophobicContact CG1-CD1 4.43Å; V65-F185 HydrophobicContact CG1-CD2 3.64Å; V65-F185 HydrophobicContact CG1-CE2 4.02Å; V65-F185 HydrophobicContact CG1-CG 3.86Å; V65-F185 HydrophobicContact CG2-CB 4.28Å
66	V	92.4	Very high	90.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60	-31.8	174.4	-173.3	0	0	0	0	111.2	P61 D62 L70 F83 A87 V91 L103	P61-V66 HydrophobicContact CB-CG2 3.67Å; P61-V66 HydrophobicContact CG-CG2 3.63Å; D62-V66 WeakPolarHBondContact O-CG2 3.34Å; D62-V66 PolarHBondContact O-N 2.87Å; V66-L70 HydrophobicContact CG1-CD1 4.29Å; V66-L70 WeakPolarHBondContact O-CB 3.41Å; V66-F83 HydrophobicContact CB-CE1 4.46Å; V66-F83 HydrophobicContact CG1-CD1 3.98Å; V66-F83 HydrophobicContact CG1-CE1 3.82Å; V66-F83 HydrophobicContact CG2-CD1 3.75Å; V66-F83 HydrophobicContact CG2-CE1 3.83Å; V66-A87 HydrophobicContact CG2-CB 4.06Å; V66-V91 HydrophobicContact CB-CG2 4.12Å; V66-V91 HydrophobicContact CG1-CG2 3.81Å; V66-L103 HydrophobicContact CG1-CD1 4.16Å; V66-L103 HydrophobicContact CG1-CD2 3.83Å
67	Q	87.1	Confident	90.7	Very high	24 Å²	24	20.2 Å²	20.2	11%	0.112	10%	0.099	C	C	.	.	H	α-helix	trans	-73.6	-45.7	178.9	177.3	173	-50.1	0	0	113.4	W63 K64 V65 V91 R95	W63-Q67 WeakPolarHBondContact O-CB 3.19Å; W63-Q67 PolarHBondContact O-N 3.43Å; W63-Q67 VanDerWaalsContact O-N 3.08Å; K64-Q67 WeakPolarHBondContact O-CB 3.23Å; K64-Q67 PolarHBondContact O-N 3.26Å; V65-Q67 PolarHBondContact O-N 3.02Å; Q67-V91 HydrophobicContact CB-CG2 4.35Å; Q67-R95 HydrophobicContact CG-CG 3.8Å
68	D	87.1	Confident	90.6	Very high	21 Å²	21	20 Å²	20	11%	0.112	10%	0.098	C	C	.	.	H	α-helix	trans	-101.4	-18.2	-166.9	-67.9	-23.1	0	0	0	113.7	K64 V65 R95 R210	K64-D68 WeakPolarHBondContact O-CB 3.34Å; K64-D68 PolarHBondContact O-N 3.15Å; V65-D68 PolarHBondContact O-N 3.28Å; D68-R95 IonicContact OD1-NH2 3.88Å; D68-R95 PolarHBondContact OD1-NH2 2.94Å; D68-R210 IonicContact OD2-CZ 3.74Å; D68-R210 IonicContact OD2-NE 3.22Å; D68-R210 IonicContact OD2-NH1 2.76Å
69	Y	90.6	Very high	90.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.119	C	C	.	.			trans	-126.5	25.4	-178.1	-54.6	-77.6	0	0	0	112.9	V65 E71 I72 L73 E165 F185 I206 L207 R210	V65-Y69 HydrophobicContact CB-CD2 4.42Å; V65-Y69 HydrophobicContact CG1-CD2 4.05Å; V65-Y69 WeakPolarHBondContact O-CA 3.47Å; V65-Y69 PolarHBondContact O-N 3.25Å; Y69-E71 PolarHBondContact O-N 3.35Å; Y69-E71 VanDerWaalsContact O-N 3.14Å; Y69-I72 HydrophobicContact CD1-CD1 3.92Å; Y69-I72 PolarHBondContact O-N 3.13Å; Y69-L73 WeakPolarHBondContact O-CG 3.41Å; Y69-L73 PolarHBondContact O-N 3.16Å; Y69-L73 VanDerWaalsContact O-N 3.07Å; Y69-E165 HydrophobicContact CE2-CG 3.82Å; Y69-F185 VanDerWaalsContact CB-CE1 3.48Å; Y69-F185 AromaticContact CD1-CD1 3.82Å; Y69-F185 HydrophobicContact CD1-CD1 3.82Å; Y69-F185 HydrophobicContact CD1-CE1 4.03Å; Y69-F185 HydrophobicContact CD2-CB 4.43Å; Y69-F185 AromaticContact CD2-CD1 3.74Å; Y69-F185 HydrophobicContact CD2-CD1 3.74Å; Y69-F185 HydrophobicContact CD2-CE1 4.34Å; Y69-F185 HydrophobicContact CD2-CG 4.25Å; Y69-F185 HydrophobicContact CE1-CD1 4.32Å; Y69-F185 HydrophobicContact CE2-CB 4.48Å; Y69-F185 HydrophobicContact CE2-CD1 4.29Å; Y69-F185 AromaticContact CG-CD1 3.49Å; Y69-F185 HydrophobicContact CG-CD1 3.49Å; Y69-F185 VanDerWaalsContact CG-CD1 3.49Å; Y69-F185 AromaticContact CG-CE1 3.7Å; Y69-F185 HydrophobicContact CG-CE1 3.7Å; Y69-F185 HydrophobicContact CG-CG 4.39Å; Y69-I206 HydrophobicContact CD1-CD1 4.02Å; Y69-I206 HydrophobicContact CD1-CG2 4.1Å; Y69-I206 HydrophobicContact CE1-CB 4.12Å; Y69-I206 HydrophobicContact CE1-CD1 4.47Å; Y69-I206 HydrophobicContact CE1-CG2 3.63Å; Y69-L207 WeakPolarHBondContact OH-CD2 3.36Å; Y69-R210 PolarHBondContact OH-NH1 3.23Å; Y69-R210 VanDerWaalsContact OH-NH1 3.11Å
70	L	88.4	Confident	90.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-33.2	178.2	-169.3	59	0	0	0	111.6	V66 I72 L73 E74 F83 Q99 K102 L103 L106	V66-L70 HydrophobicContact CG1-CD1 4.29Å; V66-L70 WeakPolarHBondContact O-CB 3.41Å; L70-I72 VanDerWaalsContact C-N 3.3Å; L70-I72 PolarHBondContact O-N 3.49Å; L70-L73 CarbonylContact O-C 3.58Å; L70-L73 PolarHBondContact O-N 3.35Å; L70-E74 VanDerWaalsContact O-CG 3.31Å; L70-E74 WeakPolarHBondContact O-CG 3.42Å; L70-E74 PolarHBondContact O-N 3.26Å; L70-E74 VanDerWaalsContact O-N 3.09Å; L70-F83 HydrophobicContact CD1-CZ 4.5Å; L70-Q99 HydrophobicContact CD2-CG 4.25Å; L70-K102 HydrophobicContact CD2-CD 4.22Å; L70-L103 HydrophobicContact CD1-CD1 3.87Å; L70-L103 HydrophobicContact CD2-CB 4.41Å; L70-L106 HydrophobicContact CD1-CD2 4.14Å
71	E	85.6	Confident	90.1	Very high	29 Å²	29	24.9 Å²	24.9	14%	0.136	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-38.4	175.2	-66.7	88	-179.3	0	0	113.7	Y69 E74 F75 L202 R395	Y69-E71 PolarHBondContact O-N 3.35Å; Y69-E71 VanDerWaalsContact O-N 3.14Å; E71-E74 PolarHBondContact O-N 2.86Å; E71-F75 WeakPolarHBondContact O-CD2 3.39Å; E71-L202 HydrophobicContact CB-CD2 3.88Å; E71-R395 VanDerWaalsContact CD-NH1 3.3Å; E71-R395 IonicContact OE1-CZ 2.9Å; E71-R395 IonicContact OE1-NH1 3.24Å; E71-R395 PolarHBondContact OE1-NH1 3.38Å
72	I	90.7	Very high	90.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-37.2	-179.9	-61	173.8	0	0	0	108.9	Y69 L70 E74 F75 L78 F185 L189 A199 L202 C203 I206	Y69-I72 HydrophobicContact CD1-CD1 3.92Å; Y69-I72 PolarHBondContact O-N 3.13Å; L70-I72 VanDerWaalsContact C-N 3.3Å; L70-I72 PolarHBondContact O-N 3.49Å; I72-E74 PolarHBondContact O-N 3.38Å; I72-E74 VanDerWaalsContact O-N 3.16Å; I72-F75 WeakPolarHBondContact O-CB 3.35Å; I72-F75 VanDerWaalsContact O-CD2 3.29Å; I72-F75 WeakPolarHBondContact O-CD2 3.37Å; I72-F75 PolarHBondContact O-N 3.39Å; I72-F75 VanDerWaalsContact O-N 3.12Å; I72-L78 HydrophobicContact CG2-CD1 4.17Å; I72-L78 WeakPolarHBondContact O-CD1 3.43Å; I72-F185 HydrophobicContact CB-CE1 3.84Å; I72-F185 HydrophobicContact CB-CZ 3.96Å; I72-F185 HydrophobicContact CD1-CE1 3.86Å; I72-F185 HydrophobicContact CG1-CE1 4.43Å; I72-F185 HydrophobicContact CG2-CE1 3.74Å; I72-F185 HydrophobicContact CG2-CZ 3.64Å; I72-L189 HydrophobicContact CD1-CD1 4.46Å; I72-L189 HydrophobicContact CG2-CD1 4.21Å; I72-L189 HydrophobicContact CG2-CD2 4.12Å; I72-A199 HydrophobicContact CG2-CB 4Å; I72-L202 HydrophobicContact CD1-CB 4.43Å; I72-L202 HydrophobicContact CD1-CG 4.21Å; I72-L202 HydrophobicContact CG1-CB 4.38Å; I72-L202 HydrophobicContact CG1-CD2 3.73Å; I72-L202 HydrophobicContact CG1-CG 3.96Å; I72-C203 HydrophobicContact CD1-CB 3.68Å; I72-I206 HydrophobicContact CD1-CD1 4.25Å
73	L	91.1	Very high	90.1	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.016	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-9.7	174.4	-61.1	173.9	0	0	0	113.8	P61 V65 Y69 L70 I81 F83 F185	P61-L73 HydrophobicContact CB-CD1 3.98Å; P61-L73 HydrophobicContact CG-CD1 4.12Å; V65-L73 HydrophobicContact CG1-CD1 4.41Å; Y69-L73 WeakPolarHBondContact O-CG 3.41Å; Y69-L73 PolarHBondContact O-N 3.16Å; Y69-L73 VanDerWaalsContact O-N 3.07Å; L70-L73 CarbonylContact O-C 3.58Å; L70-L73 PolarHBondContact O-N 3.35Å; L73-I81 HydrophobicContact CB-CD1 4.46Å; L73-I81 HydrophobicContact CD2-CD1 4.39Å; L73-F83 HydrophobicContact CB-CZ 4.41Å; L73-F83 HydrophobicContact CD1-CE1 3.97Å; L73-F83 HydrophobicContact CD1-CZ 4.29Å; L73-F185 HydrophobicContact CD2-CE2 3.89Å; L73-F185 HydrophobicContact CD2-CZ 4.03Å; L73-F185 HydrophobicContact CG-CZ 4.4Å
74	E	88.3	Confident	90.2	Very high	47 Å²	47	24.2 Å²	24.2	22%	0.22	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-8.2	173.5	-78.7	166.7	-171.4	0	0	113.1	L70 E71 I72 P76 K102 L106 H112	L70-E74 VanDerWaalsContact O-CG 3.31Å; L70-E74 WeakPolarHBondContact O-CG 3.42Å; L70-E74 PolarHBondContact O-N 3.26Å; L70-E74 VanDerWaalsContact O-N 3.09Å; E71-E74 PolarHBondContact O-N 2.86Å; I72-E74 PolarHBondContact O-N 3.38Å; I72-E74 VanDerWaalsContact O-N 3.16Å; E74-P76 WeakPolarHBondContact O-CD 3.49Å; E74-K102 WeakPolarHBondContact OE1-CD 3.23Å; E74-K102 WeakPolarHBondContact OE1-CE 3.26Å; E74-K102 IonicContact OE1-NZ 2.65Å; E74-K102 PolarHBondContact OE1-NZ 2.98Å; E74-K102 WeakPolarHBondContact OE2-CE 3.39Å; E74-K102 IonicContact OE2-NZ 3.39Å; E74-K102 PolarHBondContact OE2-NZ 3.28Å; E74-L106 HydrophobicContact CG-CD1 4.12Å; E74-L106 HydrophobicContact CG-CD2 4.17Å; E74-H112 PolarHBondContact O-CD2 2.93Å; E74-H112 VanDerWaalsContact O-CD2 3.26Å; E74-H112 PolarHBondContact O-NE2 3.42Å
75	F	86.3	Confident	90.3	Very high	49 Å²	49	21.9 Å²	21.9	22%	0.215	11%	0.107	C	C	.	.			trans	-65.4	122	176.3	-83.2	-99.2	0	0	0	110.3	E71 I72 E77 L78 L196 A198 L202	E71-F75 WeakPolarHBondContact O-CD2 3.39Å; I72-F75 WeakPolarHBondContact O-CB 3.35Å; I72-F75 VanDerWaalsContact O-CD2 3.29Å; I72-F75 WeakPolarHBondContact O-CD2 3.37Å; I72-F75 PolarHBondContact O-N 3.39Å; I72-F75 VanDerWaalsContact O-N 3.12Å; F75-E77 WeakPolarHBondContact CB-OE2 3.18Å; F75-E77 PolarHBondContact O-N 2.92Å; F75-E77 VanDerWaalsContact O-N 3.09Å; F75-L78 HydrophobicContact CB-CG 4.35Å; F75-L78 PolarHBondContact O-N 3.45Å; F75-L196 HydrophobicContact CD1-CD1 4.46Å; F75-A198 HydrophobicContact CE1-CB 4.04Å; F75-A198 HydrophobicContact CZ-CB 4.18Å; F75-L202 HydrophobicContact CE2-CD2 4.25Å
76	P	81.4	Confident	90.3	Very high	71 Å²	71	21.9 Å²	21.9	46%	0.461	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-20.6	-179.4	-24.3	34.3	0	0	0	114.4	E74 L78	E74-P76 WeakPolarHBondContact O-CD 3.49Å; P76-L78 VanDerWaalsContact C-N 3.28Å
77	E	86.8	Confident	90.4	Very high	90 Å²	90	21.9 Å²	21.9	42%	0.421	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-32.7	174.4	-61.6	84.4	172.5	0	0	111.8	F75 K79 W193 L196	F75-E77 WeakPolarHBondContact CB-OE2 3.18Å; F75-E77 PolarHBondContact O-N 2.92Å; F75-E77 VanDerWaalsContact O-N 3.09Å; E77-K79 PolarHBondContact O-N 3.07Å; E77-K79 VanDerWaalsContact O-N 3.12Å; E77-W193 WeakPolarHBondContact O-CH2 3.15Å; E77-L196 HydrophobicContact CB-CD1 4.35Å; E77-L196 HydrophobicContact CB-CD2 4.35Å; E77-L196 HydrophobicContact CG-CD1 4.05Å
78	L	89.8	Confident	90.6	Very high	4 Å²	4	21 Å²	21	2%	0.021	10%	0.104	C	C	.	.			trans	-79	95.4	176.5	-61	-175.9	0	0	0	110.1	I72 F75 P76 I81 Y188 W193 L196	I72-L78 HydrophobicContact CG2-CD1 4.17Å; I72-L78 WeakPolarHBondContact O-CD1 3.43Å; F75-L78 HydrophobicContact CB-CG 4.35Å; F75-L78 PolarHBondContact O-N 3.45Å; P76-L78 VanDerWaalsContact C-N 3.28Å; L78-I81 HydrophobicContact CB-CD1 4.11Å; L78-I81 WeakPolarHBondContact O-CD1 3.25Å; L78-Y188 HydrophobicContact CD2-CE1 4.37Å; L78-W193 HydrophobicContact CD2-CD2 3.75Å; L78-W193 VanDerWaalsContact CD2-CE2 3.46Å; L78-W193 HydrophobicContact CD2-CG 3.81Å; L78-W193 HydrophobicContact CD2-CZ2 4.04Å; L78-W193 VanDerWaalsContact CD2-NE1 3.33Å; L78-L196 HydrophobicContact CD2-CD2 4.49Å
79	K	90.6	Very high	90.7	Very high	101 Å²	101	22.6 Å²	22.6	44%	0.439	11%	0.11	S	C	.	.			trans	-98.4	165.1	179.1	-64.1	178.6	-178.1	176	0	112.1	V55 E77 D113	V55-K79 HydrophobicContact CG1-CB 3.72Å; E77-K79 PolarHBondContact O-N 3.07Å; E77-K79 VanDerWaalsContact O-N 3.12Å; K79-D113 HydrophobicContact CB-CB 3.98Å; K79-D113 HydrophobicContact CG-CB 4.07Å
80	G	91.9	Very high	90.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	73.7	28.7	176	0	0	0	0	0	115.3	Y58 V59 D113	Y58-G80 WeakPolarHBondContact CA-O 3.32Å; V59-G80 PolarHBondContact N-O 3.21Å; G80-D113 PolarHBondContact N-O 2.7Å; G80-D113 VanDerWaalsContact N-O 3.09Å; G80-D113 PolarHBondContact N-OD2 3.34Å
81	I	95.3	Very high	90.5	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.015	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	125.7	-175.1	-48.6	178.7	0	0	0	111.3	V59 P61 L73 L78 F83 D113 C114 I115	V59-I81 HydrophobicContact CG1-CB 4.04Å; V59-I81 HydrophobicContact CG1-CG1 3.65Å; V59-I81 HydrophobicContact CG1-CG2 4.23Å; P61-I81 HydrophobicContact CG-CG2 4.07Å; L73-I81 HydrophobicContact CB-CD1 4.46Å; L73-I81 HydrophobicContact CD2-CD1 4.39Å; L78-I81 HydrophobicContact CB-CD1 4.11Å; L78-I81 WeakPolarHBondContact O-CD1 3.25Å; I81-F83 HydrophobicContact CB-CE2 4.38Å; I81-F83 HydrophobicContact CG2-CD2 4.03Å; I81-F83 HydrophobicContact CG2-CE1 4.16Å; I81-F83 HydrophobicContact CG2-CE2 3.65Å; I81-F83 HydrophobicContact CG2-CG 4.46Å; I81-F83 HydrophobicContact CG2-CZ 3.72Å; I81-D113 PolarHBondContact N-O 3.06Å; I81-C114 HydrophobicContact CB-CB 3.8Å; I81-C114 HydrophobicContact CG2-CB 4.48Å; I81-C114 CarbonylContact O-C 3.54Å; I81-C114 WeakPolarHBondContact O-CA 3.33Å; I81-I115 PolarHBondContact O-N 2.83Å
82	I	95.9	Very high	90.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	102.6	176.1	-60.7	166.5	0	0	0	109.1	L51 Y58 V59 I60 M84 I115 F117 Y150	L51-I82 HydrophobicContact CD1-CD1 3.89Å; L51-I82 HydrophobicContact CD1-CG1 3.71Å; Y58-I82 HydrophobicContact CD2-CD1 3.75Å; Y58-I82 HydrophobicContact CG-CD1 3.87Å; V59-I82 PolarHBondContact O-N 2.89Å; I60-I82 HydrophobicContact CG1-CB 3.93Å; I60-I82 HydrophobicContact CG1-CD1 4.43Å; I60-I82 HydrophobicContact CG1-CG2 4.35Å; I82-M84 HydrophobicContact CG2-CE 3.88Å; I82-M84 HydrophobicContact CG2-SD 4.31Å; I82-M84 PolarHBondContact O-N 3.29Å; I82-I115 HydrophobicContact CB-CD1 4.39Å; I82-I115 HydrophobicContact CG1-CD1 4.14Å; I82-I115 HydrophobicContact CG1-CG1 4.14Å; I82-I115 HydrophobicContact CG2-CD1 3.87Å; I82-F117 HydrophobicContact CG2-CB 3.86Å; I82-Y150 HydrophobicContact CD1-CD1 3.87Å; I82-Y150 HydrophobicContact CD1-CD2 4.31Å; I82-Y150 HydrophobicContact CD1-CE1 3.47Å; I82-Y150 VanDerWaalsContact CD1-CE1 3.47Å; I82-Y150 HydrophobicContact CD1-CE2 3.95Å; I82-Y150 HydrophobicContact CD1-CG 4.26Å; I82-Y150 VanDerWaalsContact CD1-CZ 3.5Å; I82-Y150 HydrophobicContact CG2-CE2 4.38Å
83	F	95.5	Very high	89.9	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	120	172.1	-67.7	-74.6	0	0	0	110	P61 V66 L70 L73 I81 L103 L106 L107 C114 I115 L116 F117	P61-F83 HydrophobicContact CG-CD1 3.8Å; P61-F83 HydrophobicContact CG-CE1 3.73Å; V66-F83 HydrophobicContact CB-CE1 4.46Å; V66-F83 HydrophobicContact CG1-CD1 3.98Å; V66-F83 HydrophobicContact CG1-CE1 3.82Å; V66-F83 HydrophobicContact CG2-CD1 3.75Å; V66-F83 HydrophobicContact CG2-CE1 3.83Å; L70-F83 HydrophobicContact CD1-CZ 4.5Å; L73-F83 HydrophobicContact CB-CZ 4.41Å; L73-F83 HydrophobicContact CD1-CE1 3.97Å; L73-F83 HydrophobicContact CD1-CZ 4.29Å; I81-F83 HydrophobicContact CB-CE2 4.38Å; I81-F83 HydrophobicContact CG2-CD2 4.03Å; I81-F83 HydrophobicContact CG2-CE1 4.16Å; I81-F83 HydrophobicContact CG2-CE2 3.65Å; I81-F83 HydrophobicContact CG2-CG 4.46Å; I81-F83 HydrophobicContact CG2-CZ 3.72Å; F83-L103 HydrophobicContact CD1-CD1 3.88Å; F83-L103 HydrophobicContact CD2-CD1 4.13Å; F83-L103 HydrophobicContact CE1-CD1 3.74Å; F83-L103 HydrophobicContact CE2-CD1 3.99Å; F83-L103 HydrophobicContact CG-CD1 4.06Å; F83-L103 HydrophobicContact CZ-CD1 3.8Å; F83-L106 HydrophobicContact CE2-CD2 4Å; F83-L106 HydrophobicContact CZ-CD2 3.98Å; F83-L107 HydrophobicContact CB-CD2 4.45Å; F83-L107 HydrophobicContact CD2-CD2 3.77Å; F83-L107 HydrophobicContact CD2-CG 4.44Å; F83-C114 HydrophobicContact CD2-CB 4.09Å; F83-C114 HydrophobicContact CE2-CB 3.81Å; F83-I115 PolarHBondContact N-O 2.7Å; F83-L116 WeakPolarHBondContact O-CA 3.32Å; F83-F117 PolarHBondContact O-N 2.84Å
84	M	95.1	Very high	89.2	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	141.7	174.1	-64.2	-59.8	174.1	0	0	110.8	I60 I82 T86 A87 C88 F117 N119 I143 A146	I60-M84 HydrophobicContact CB-CE 4.47Å; I60-M84 HydrophobicContact CD1-CE 3.49Å; I60-M84 VanDerWaalsContact CD1-CE 3.49Å; I60-M84 HydrophobicContact CG1-CE 3.9Å; I60-M84 HydrophobicContact CG2-CE 3.69Å; I60-M84 HydrophobicContact CG2-CG 3.86Å; I82-M84 HydrophobicContact CG2-CE 3.88Å; I82-M84 HydrophobicContact CG2-SD 4.31Å; I82-M84 PolarHBondContact O-N 3.29Å; M84-T86 PolarHBondContact O-N 3.4Å; M84-A87 HydrophobicContact CB-CB 4.42Å; M84-A87 WeakPolarHBondContact O-CB 3.44Å; M84-A87 PolarHBondContact O-N 2.99Å; M84-C88 PolarHBondContact O-N 3.39Å; M84-C88 PolarHBondContact O-SG 3.11Å; M84-F117 HydrophobicContact CE-CD1 4.31Å; M84-F117 HydrophobicContact SD-CB 4.09Å; M84-F117 HydrophobicContact SD-CD1 3.69Å; M84-F117 HydrophobicContact SD-CG 4.38Å; M84-N119 HydrophobicContact SD-CB 3.95Å; M84-I143 HydrophobicContact CB-CG1 4.02Å; M84-I143 HydrophobicContact CG-CG1 4.19Å; M84-I143 HydrophobicContact CG-CG2 4.08Å; M84-A146 HydrophobicContact CE-CB 3.88Å; M84-A146 HydrophobicContact SD-CB 3.91Å
85	Q	94.1	Very high	88.3	Confident	17 Å²	17	38.4 Å²	38.4	8%	0.079	18%	0.179	C	C	.	.	H	α-helix	trans	-52.7	-40.7	174.1	167.9	-174.4	5.8	0	0	111.8	A87 C88 Q89 F117 A118 N119	Q85-A87 VanDerWaalsContact C-N 3.33Å; Q85-A87 PolarHBondContact O-N 2.9Å; Q85-C88 PolarHBondContact O-N 2.68Å; Q85-Q89 HydrophobicContact CG-CG 4.31Å; Q85-Q89 WeakPolarHBondContact O-CB 3.2Å; Q85-Q89 WeakPolarHBondContact O-CG 3.43Å; Q85-Q89 PolarHBondContact O-N 3.06Å; Q85-F117 PolarHBondContact N-O 3.09Å; Q85-A118 VanDerWaalsContact OE1-CA 3.31Å; Q85-N119 WeakPolarHBondContact CB-OD1 3.32Å; Q85-N119 PolarHBondContact N-OD1 3.09Å; Q85-N119 VanDerWaalsContact N-OD1 3.12Å
86	T	93.6	Very high	87.6	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-58.2	-43.2	176.1	-59.1	0	0	0	0	112.2	M84 A90 N119 E120 W138 Q139 I143	M84-T86 PolarHBondContact O-N 3.4Å; T86-A90 WeakPolarHBondContact O-CB 3.41Å; T86-A90 PolarHBondContact O-N 2.91Å; T86-N119 PolarHBondContact N-OD1 2.89Å; T86-N119 VanDerWaalsContact N-OD1 3.14Å; T86-N119 PolarHBondContact OG1-ND2 2.98Å; T86-N119 PolarHBondContact OG1-OD1 3.16Å; T86-E120 WeakPolarHBondContact OG1-CG 3.28Å; T86-E120 PolarHBondContact OG1-OE1 2.69Å; T86-W138 HydrophobicContact CG2-CH2 4.37Å; T86-W138 HydrophobicContact CG2-CZ3 4.16Å; T86-Q139 HydrophobicContact CG2-CB 3.96Å; T86-Q139 HydrophobicContact CG2-CG 3.77Å; T86-I143 HydrophobicContact CG2-CD1 4.45Å; T86-I143 HydrophobicContact CG2-CG1 4.41Å
87	A	93.4	Very high	87	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.5	-45.6	176.8	0	0	0	0	0	111.8	W63 V66 M84 Q85 Q89 A90 V91 I143	W63-A87 HydrophobicContact CB-CB 4.14Å; V66-A87 HydrophobicContact CG2-CB 4.06Å; M84-A87 HydrophobicContact CB-CB 4.42Å; M84-A87 WeakPolarHBondContact O-CB 3.44Å; M84-A87 PolarHBondContact O-N 2.99Å; Q85-A87 VanDerWaalsContact C-N 3.33Å; Q85-A87 PolarHBondContact O-N 2.9Å; A87-Q89 VanDerWaalsContact C-N 3.34Å; A87-Q89 PolarHBondContact O-N 3Å; A87-A90 WeakPolarHBondContact O-CB 3.15Å; A87-A90 PolarHBondContact O-N 3.28Å; A87-V91 WeakPolarHBondContact O-CG2 3.34Å; A87-V91 PolarHBondContact O-N 3.22Å; A87-V91 VanDerWaalsContact O-N 3.08Å; A87-I143 HydrophobicContact CB-CD1 3.94Å
88	C	91.4	Very high	86	Confident	5 Å²	5	44.5 Å²	44.5	3%	0.034	20%	0.196	C	C	.	.	H	α-helix	trans	-61.3	-40.9	178	-63.2	0	0	0	0	112.7	M84 Q85 V91 Q92 Y100 L103 L116	M84-C88 PolarHBondContact O-N 3.39Å; M84-C88 PolarHBondContact O-SG 3.11Å; Q85-C88 PolarHBondContact O-N 2.68Å; C88-V91 PolarHBondContact O-N 3.07Å; C88-Q92 PolarHBondContact O-N 3.18Å; C88-Q92 VanDerWaalsContact O-N 3.1Å; C88-Y100 HydrophobicContact CB-CE2 4.16Å; C88-Y100 WeakPolarHBondContact O-CD2 3.45Å; C88-L103 HydrophobicContact CB-CD2 4.03Å; C88-L103 VanDerWaalsContact SG-CD2 3.58Å; C88-L116 HydrophobicContact CB-CD1 4.28Å; C88-L116 WeakPolarHBondContact SG-CD1 3.44Å
89	Q	89	Confident	85.2	Confident	55 Å²	55	46.4 Å²	46.4	26%	0.257	21%	0.205	S	C	.	.	H	α-helix	trans	-68.2	-37	176.6	-72.2	-175.2	2.6	0	0	112	Q85 A87 Q92 H93	Q85-Q89 HydrophobicContact CG-CG 4.31Å; Q85-Q89 WeakPolarHBondContact O-CB 3.2Å; Q85-Q89 WeakPolarHBondContact O-CG 3.43Å; Q85-Q89 PolarHBondContact O-N 3.06Å; A87-Q89 VanDerWaalsContact C-N 3.34Å; A87-Q89 PolarHBondContact O-N 3Å; Q89-Q92 WeakPolarHBondContact O-CB 3.41Å; Q89-Q92 PolarHBondContact O-N 3.49Å; Q89-H93 PolarHBondContact O-CD2 3.02Å; Q89-H93 PolarHBondContact O-N 2.74Å
90	A	88.4	Confident	84.8	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-58.7	-47.9	173.9	0	0	0	0	0	111.3	W63 T86 A87 Q92 H93 Q94 Q139	W63-A90 HydrophobicContact CB-CB 3.69Å; W63-A90 HydrophobicContact CD2-CB 4.42Å; W63-A90 HydrophobicContact CE3-CB 4.29Å; W63-A90 HydrophobicContact CG-CB 4.23Å; T86-A90 WeakPolarHBondContact O-CB 3.41Å; T86-A90 PolarHBondContact O-N 2.91Å; A87-A90 WeakPolarHBondContact O-CB 3.15Å; A87-A90 PolarHBondContact O-N 3.28Å; A90-Q92 VanDerWaalsContact C-N 3.31Å; A90-Q92 PolarHBondContact O-N 3.47Å; A90-H93 PolarHBondContact O-N 3.41Å; A90-H93 VanDerWaalsContact O-N 3.14Å; A90-Q94 WeakPolarHBondContact O-CB 3.42Å; A90-Q94 WeakPolarHBondContact O-CG 3.28Å; A90-Q94 PolarHBondContact O-N 2.97Å; A90-Q139 VanDerWaalsContact CB-NE2 3.27Å
91	V	86.2	Confident	84.1	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.8	-42.4	176.7	174	0	0	0	0	111.3	V66 Q67 A87 C88 H93 Q94 R95 G96 Q99	V66-V91 HydrophobicContact CB-CG2 4.12Å; V66-V91 HydrophobicContact CG1-CG2 3.81Å; Q67-V91 HydrophobicContact CB-CG2 4.35Å; A87-V91 WeakPolarHBondContact O-CG2 3.34Å; A87-V91 PolarHBondContact O-N 3.22Å; A87-V91 VanDerWaalsContact O-N 3.08Å; C88-V91 PolarHBondContact O-N 3.07Å; V91-H93 VanDerWaalsContact C-N 3.31Å; V91-H93 PolarHBondContact O-N 2.87Å; V91-Q94 PolarHBondContact O-N 3.09Å; V91-R95 HydrophobicContact CG1-CB 4.45Å; V91-R95 PolarHBondContact O-N 2.93Å; V91-G96 PolarHBondContact O-N 2.9Å; V91-Q99 HydrophobicContact CG1-CB 4.08Å; V91-Q99 HydrophobicContact CG1-CG 3.82Å
92	Q	83.7	Confident	83.4	Confident	73 Å²	73	49.4 Å²	49.4	34%	0.341	22%	0.22	S	C	.	.	H	α-helix	trans	-60.3	-41.2	176.6	-171.9	-178.9	-0.6	0	0	112.3	C88 Q89 A90 G96 Y100	C88-Q92 PolarHBondContact O-N 3.18Å; C88-Q92 VanDerWaalsContact O-N 3.1Å; Q89-Q92 WeakPolarHBondContact O-CB 3.41Å; Q89-Q92 PolarHBondContact O-N 3.49Å; A90-Q92 VanDerWaalsContact C-N 3.31Å; A90-Q92 PolarHBondContact O-N 3.47Å; Q92-G96 VanDerWaalsContact O-CA 3.22Å; Q92-G96 WeakPolarHBondContact O-CA 3.42Å; Q92-G96 PolarHBondContact O-N 3.4Å; Q92-Y100 HydrophobicContact CB-CD1 4.4Å; Q92-Y100 HydrophobicContact CB-CD2 3.78Å; Q92-Y100 HydrophobicContact CB-CE2 4.37Å; Q92-Y100 HydrophobicContact CB-CG 3.79Å; Q92-Y100 HydrophobicContact CG-CD1 4.05Å; Q92-Y100 HydrophobicContact CG-CD2 4.33Å; Q92-Y100 HydrophobicContact CG-CG 3.91Å
93	H	79.8	Confident	83	Confident	139 Å²	139	49.4 Å²	49.4	64%	0.644	22%	0.22	S	C	*	.	H	α-helix	trans	-75.7	-37.4	-178.7	-67.4	-179	0	0	0	112.5	Q89 A90 V91	Q89-H93 PolarHBondContact O-CD2 3.02Å; Q89-H93 PolarHBondContact O-N 2.74Å; A90-H93 PolarHBondContact O-N 3.41Å; A90-H93 VanDerWaalsContact O-N 3.14Å; V91-H93 VanDerWaalsContact C-N 3.31Å; V91-H93 PolarHBondContact O-N 2.87Å
94	Q	77.9	Confident	82.5	Confident	86 Å²	86	54.9 Å²	54.9	40%	0.402	24%	0.241	S	C	.	.	H	α-helix	trans	-90.3	-42.8	-174	-64.5	-167	28.3	0	0	114	W63 A90 V91	W63-Q94 VanDerWaalsContact CZ3-OE1 3.29Å; A90-Q94 WeakPolarHBondContact O-CB 3.42Å; A90-Q94 WeakPolarHBondContact O-CG 3.28Å; A90-Q94 PolarHBondContact O-N 2.97Å; V91-Q94 PolarHBondContact O-N 3.09Å
95	R	69.3	Low	81.8	Confident	111 Å²	111	59.5 Å²	59.5	42%	0.419	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-4.9	-177.9	-64	-69	-168.1	158.3	6.1	113.2	Q67 D68 V91 Q99	Q67-R95 HydrophobicContact CG-CG 3.8Å; D68-R95 IonicContact OD1-NH2 3.88Å; D68-R95 PolarHBondContact OD1-NH2 2.94Å; V91-R95 HydrophobicContact CG1-CB 4.45Å; V91-R95 PolarHBondContact O-N 2.93Å; R95-Q99 HydrophobicContact CB-CB 3.74Å; R95-Q99 HydrophobicContact CB-CG 4.1Å
96	G	69.6	Low	81.4	Confident	27 Å²	27	59.2 Å²	59.2	28%	0.278	26%	0.264	S	S	.	.	H	α-helix	trans	80.6	-172.4	176.6	0	0	0	0	0	114.3	V91 Q92 R98 Y100	V91-G96 PolarHBondContact O-N 2.9Å; Q92-G96 VanDerWaalsContact O-CA 3.22Å; Q92-G96 WeakPolarHBondContact O-CA 3.42Å; Q92-G96 PolarHBondContact O-N 3.4Å; G96-R98 PolarHBondContact O-N 3.43Å; G96-Y100 PolarHBondContact O-N 3.41Å
97	R	68.9	Low	81.1	Confident	183 Å²	183	60.6 Å²	60.6	69%	0.691	27%	0.272	S	S	*	.	H	α-helix	trans	-70.1	-28.9	-168.2	-163.6	171.4	-177.7	173.9	-1.1	114.2	N101	R97-N101 WeakPolarHBondContact O-CB 3.45Å; R97-N101 PolarHBondContact O-N 3.38Å; R97-N101 PolarHBondContact O-OD1 3Å
98	R	67.3	Low	80.4	Confident	128 Å²	128	67.5 Å²	67.5	48%	0.483	30%	0.302	S	S	.	.	H	α-helix	trans	-66.1	-49.9	-178.9	-174.4	177.5	177.2	-159.9	-11.3	111.5	G96 Y100 N101 K102 K340 W342	G96-R98 PolarHBondContact O-N 3.43Å; R98-Y100 VanDerWaalsContact C-N 3.33Å; R98-N101 PolarHBondContact O-N 3.33Å; R98-K102 PolarHBondContact O-N 2.66Å; R98-K340 PolarHBondContact NH1-O 3.45Å; R98-W342 PolarHBondContact NH1-O 3.36Å; R98-W342 VanDerWaalsContact NH1-O 3.15Å; R98-W342 PolarHBondContact NH2-O 2.68Å
99	Q	72.8	Confident	79.7	Confident	44 Å²	44	68.4 Å²	68.4	21%	0.206	31%	0.306	C	S	.	.	H	α-helix	trans	-66.5	-38.8	178.8	-161.8	70.3	-3.5	0	0	111.3	L70 V91 R95 N101 K102 L103	L70-Q99 HydrophobicContact CD2-CG 4.25Å; V91-Q99 HydrophobicContact CG1-CB 4.08Å; V91-Q99 HydrophobicContact CG1-CG 3.82Å; R95-Q99 HydrophobicContact CB-CB 3.74Å; R95-Q99 HydrophobicContact CB-CG 4.1Å; Q99-N101 VanDerWaalsContact C-N 3.34Å; Q99-N101 PolarHBondContact O-N 3.2Å; Q99-K102 WeakPolarHBondContact O-CB 3.36Å; Q99-K102 PolarHBondContact O-N 3.35Å; Q99-K102 VanDerWaalsContact O-N 3.16Å; Q99-L103 PolarHBondContact O-N 3.47Å
100	Y	81.2	Confident	78.9	Confident	40 Å²	40	67.4 Å²	67.4	16%	0.157	31%	0.307	C	S	.	.	H	α-helix	trans	-61.1	-41.6	172.3	-179.7	-113.3	0	0	0	112.5	C88 Q92 G96 R98 K102 L103 R104	C88-Y100 HydrophobicContact CB-CE2 4.16Å; C88-Y100 WeakPolarHBondContact O-CD2 3.45Å; Q92-Y100 HydrophobicContact CB-CD1 4.4Å; Q92-Y100 HydrophobicContact CB-CD2 3.78Å; Q92-Y100 HydrophobicContact CB-CE2 4.37Å; Q92-Y100 HydrophobicContact CB-CG 3.79Å; Q92-Y100 HydrophobicContact CG-CD1 4.05Å; Q92-Y100 HydrophobicContact CG-CD2 4.33Å; Q92-Y100 HydrophobicContact CG-CG 3.91Å; G96-Y100 PolarHBondContact O-N 3.41Å; R98-Y100 VanDerWaalsContact C-N 3.33Å; Y100-K102 VanDerWaalsContact C-N 3.33Å; Y100-K102 PolarHBondContact O-N 2.7Å; Y100-L103 PolarHBondContact O-N 2.86Å; Y100-R104 HydrophobicContact CD1-CG 4.35Å; Y100-R104 VanDerWaalsContact CE1-CD 3.44Å; Y100-R104 HydrophobicContact CE1-CG 4.03Å; Y100-R104 HydrophobicContact CE2-CG 4.2Å; Y100-R104 WeakPolarHBondContact O-CB 3.12Å; Y100-R104 WeakPolarHBondContact O-CG 3.4Å; Y100-R104 PolarHBondContact O-N 3.33Å
101	N	77.1	Confident	78.3	Confident	65 Å²	65	71.2 Å²	71.2	35%	0.348	32%	0.321	S	S	.	.	H	α-helix	trans	-65.2	-36.3	174.3	-73.5	-8.8	0	0	0	111.8	R97 R98 Q99 R104 N105	R97-N101 WeakPolarHBondContact O-CB 3.45Å; R97-N101 PolarHBondContact O-N 3.38Å; R97-N101 PolarHBondContact O-OD1 3Å; R98-N101 PolarHBondContact O-N 3.33Å; Q99-N101 VanDerWaalsContact C-N 3.34Å; Q99-N101 PolarHBondContact O-N 3.2Å; N101-R104 PolarHBondContact O-N 3.16Å; N101-N105 WeakPolarHBondContact O-CB 3.39Å; N101-N105 PolarHBondContact O-N 3.25Å; N101-N105 PolarHBondContact O-ND2 3.32Å; N101-N105 PolarHBondContact O-OD1 2.85Å
102	K	80.9	Confident	78.2	Confident	62 Å²	62	72.6 Å²	72.6	27%	0.27	33%	0.328	S	S	.	.	H	α-helix	trans	-59	-50.6	172.8	-162.4	-173.3	-171.1	-142.3	0	110.7	L70 E74 R98 Q99 Y100 R104 N105 L106	L70-K102 HydrophobicContact CD2-CD 4.22Å; E74-K102 WeakPolarHBondContact OE1-CD 3.23Å; E74-K102 WeakPolarHBondContact OE1-CE 3.26Å; E74-K102 IonicContact OE1-NZ 2.65Å; E74-K102 PolarHBondContact OE1-NZ 2.98Å; E74-K102 WeakPolarHBondContact OE2-CE 3.39Å; E74-K102 IonicContact OE2-NZ 3.39Å; E74-K102 PolarHBondContact OE2-NZ 3.28Å; R98-K102 PolarHBondContact O-N 2.66Å; Q99-K102 WeakPolarHBondContact O-CB 3.36Å; Q99-K102 PolarHBondContact O-N 3.35Å; Q99-K102 VanDerWaalsContact O-N 3.16Å; Y100-K102 VanDerWaalsContact C-N 3.33Å; Y100-K102 PolarHBondContact O-N 2.7Å; K102-R104 VanDerWaalsContact C-N 3.34Å; K102-R104 PolarHBondContact O-N 3.15Å; K102-N105 PolarHBondContact O-N 3.05Å; K102-N105 VanDerWaalsContact O-N 3.14Å; K102-L106 PolarHBondContact O-N 3.39Å
103	L	87.3	Confident	78.4	Confident	0 Å²	0	70 Å²	70	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-60.4	-40.2	174.9	-179.8	60.8	0	0	0	112.6	V66 L70 F83 C88 Q99 Y100 N105 L106 L107	V66-L103 HydrophobicContact CG1-CD1 4.16Å; V66-L103 HydrophobicContact CG1-CD2 3.83Å; L70-L103 HydrophobicContact CD1-CD1 3.87Å; L70-L103 HydrophobicContact CD2-CB 4.41Å; F83-L103 HydrophobicContact CD1-CD1 3.88Å; F83-L103 HydrophobicContact CD2-CD1 4.13Å; F83-L103 HydrophobicContact CE1-CD1 3.74Å; F83-L103 HydrophobicContact CE2-CD1 3.99Å; F83-L103 HydrophobicContact CG-CD1 4.06Å; F83-L103 HydrophobicContact CZ-CD1 3.8Å; C88-L103 HydrophobicContact CB-CD2 4.03Å; C88-L103 VanDerWaalsContact SG-CD2 3.58Å; Q99-L103 PolarHBondContact O-N 3.47Å; Y100-L103 PolarHBondContact O-N 2.86Å; L103-N105 VanDerWaalsContact C-N 3.34Å; L103-N105 PolarHBondContact O-N 3.1Å; L103-L106 HydrophobicContact CD1-CD2 4.39Å; L103-L106 WeakPolarHBondContact O-CB 3.26Å; L103-L106 PolarHBondContact O-N 3.47Å; L103-L107 HydrophobicContact CG-CD1 4.49Å; L103-L107 WeakPolarHBondContact O-CG 3.5Å; L103-L107 PolarHBondContact O-N 3.13Å
104	R	85.4	Confident	79	Confident	116 Å²	116	63.4 Å²	63.4	44%	0.438	29%	0.286	S	S	.	.	H	α-helix	trans	-67.1	-34.4	175.1	-75.1	-164.5	75	159.4	7.7	113.1	Y100 N101 K102 K108	Y100-R104 HydrophobicContact CD1-CG 4.35Å; Y100-R104 VanDerWaalsContact CE1-CD 3.44Å; Y100-R104 HydrophobicContact CE1-CG 4.03Å; Y100-R104 HydrophobicContact CE2-CG 4.2Å; Y100-R104 WeakPolarHBondContact O-CB 3.12Å; Y100-R104 WeakPolarHBondContact O-CG 3.4Å; Y100-R104 PolarHBondContact O-N 3.33Å; N101-R104 PolarHBondContact O-N 3.16Å; K102-R104 VanDerWaalsContact C-N 3.34Å; K102-R104 PolarHBondContact O-N 3.15Å; R104-K108 VanDerWaalsContact O-CG 3.31Å; R104-K108 WeakPolarHBondContact O-CG 3.35Å; R104-K108 PolarHBondContact O-N 3.11Å; R104-K108 VanDerWaalsContact O-N 3.15Å
105	N	80.6	Confident	79.7	Confident	97 Å²	97	59.7 Å²	59.7	52%	0.519	27%	0.269	S	S	.	.	H	α-helix	trans	-70.6	-39.4	175.7	-71.3	-12.5	0	0	0	110.3	N101 K102 L103 L107 K108 D109	N101-N105 WeakPolarHBondContact O-CB 3.39Å; N101-N105 PolarHBondContact O-N 3.25Å; N101-N105 PolarHBondContact O-ND2 3.32Å; N101-N105 PolarHBondContact O-OD1 2.85Å; K102-N105 PolarHBondContact O-N 3.05Å; K102-N105 VanDerWaalsContact O-N 3.14Å; L103-N105 VanDerWaalsContact C-N 3.34Å; L103-N105 PolarHBondContact O-N 3.1Å; N105-L107 PolarHBondContact O-N 2.78Å; N105-K108 PolarHBondContact O-N 2.92Å; N105-K108 VanDerWaalsContact O-N 3.13Å; N105-D109 PolarHBondContact O-N 3.48Å
106	L	85.4	Confident	80.8	Confident	10 Å²	10	58 Å²	58	5%	0.052	27%	0.267	C	S	.	.	H	α-helix	trans	-55.9	-49.2	171.2	-178.4	64.4	0	0	0	111.3	L70 E74 F83 K102 L103 K108 D109 H112	L70-L106 HydrophobicContact CD1-CD2 4.14Å; E74-L106 HydrophobicContact CG-CD1 4.12Å; E74-L106 HydrophobicContact CG-CD2 4.17Å; F83-L106 HydrophobicContact CE2-CD2 4Å; F83-L106 HydrophobicContact CZ-CD2 3.98Å; K102-L106 PolarHBondContact O-N 3.39Å; L103-L106 HydrophobicContact CD1-CD2 4.39Å; L103-L106 WeakPolarHBondContact O-CB 3.26Å; L103-L106 PolarHBondContact O-N 3.47Å; L106-K108 PolarHBondContact O-N 3.03Å; L106-D109 WeakPolarHBondContact O-CB 3.29Å; L106-D109 PolarHBondContact O-N 3.31Å; L106-D109 VanDerWaalsContact O-N 3.1Å; L106-H112 HydrophobicContact CD1-CB 3.67Å; L106-H112 VanDerWaalsContact CD1-CD2 3.48Å; L106-H112 WeakPolarHBondContact CD1-CD2 3.42Å
107	L	86.7	Confident	82	Confident	30 Å²	30	56.7 Å²	56.7	16%	0.157	25%	0.254	C	S	.	.	H	α-helix	trans	-62	-27	176.7	-73.5	167.2	0	0	0	114.3	F83 L103 N105 I115 L116	F83-L107 HydrophobicContact CB-CD2 4.45Å; F83-L107 HydrophobicContact CD2-CD2 3.77Å; F83-L107 HydrophobicContact CD2-CG 4.44Å; L103-L107 HydrophobicContact CG-CD1 4.49Å; L103-L107 WeakPolarHBondContact O-CG 3.5Å; L103-L107 PolarHBondContact O-N 3.13Å; N105-L107 PolarHBondContact O-N 2.78Å; L107-I115 VanDerWaalsContact CD2-C 3.41Å; L107-L116 HydrophobicContact CD1-CB 3.98Å; L107-L116 HydrophobicContact CD1-CD1 4.46Å; L107-L116 HydrophobicContact CD2-CB 4.03Å
108	K	79.3	Confident	83.1	Confident	146 Å²	146	49.2 Å²	49.2	64%	0.635	23%	0.231	S	C	*	.	H	α-helix	trans	-87	-21	176.9	-74.3	175.8	178	-174.3	0	112.6	R104 N105 L106 A110	R104-K108 VanDerWaalsContact O-CG 3.31Å; R104-K108 WeakPolarHBondContact O-CG 3.35Å; R104-K108 PolarHBondContact O-N 3.11Å; R104-K108 VanDerWaalsContact O-N 3.15Å; N105-K108 PolarHBondContact O-N 2.92Å; N105-K108 VanDerWaalsContact O-N 3.13Å; L106-K108 PolarHBondContact O-N 3.03Å; K108-A110 PolarHBondContact O-N 3.26Å
109	D	76.3	Confident	84.3	Confident	23 Å²	23	43.1 Å²	43.1	12%	0.123	21%	0.208	C	C	.	.			trans	-72.5	118.8	-177.4	-167.3	-24.5	0	0	0	109.4	K49 N105 L106 R111 H112	K49-D109 PolarHBondContact NZ-O 3.04Å; N105-D109 PolarHBondContact O-N 3.48Å; L106-D109 WeakPolarHBondContact O-CB 3.29Å; L106-D109 PolarHBondContact O-N 3.31Å; L106-D109 VanDerWaalsContact O-N 3.1Å; D109-R111 PolarHBondContact O-N 3.24Å; D109-R111 VanDerWaalsContact OD1-CB 3.31Å; D109-R111 WeakPolarHBondContact OD1-CB 3.4Å; D109-R111 WeakPolarHBondContact OD1-CG 3.2Å; D109-R111 IonicContact OD1-CZ 3.62Å; D109-R111 PolarHBondContact OD1-N 3.27Å; D109-R111 IonicContact OD1-NE 3.72Å; D109-R111 PolarHBondContact OD1-NE 2.87Å; D109-R111 IonicContact OD1-NH2 2.73Å; D109-R111 IonicContact OD2-CZ 2.97Å; D109-R111 IonicContact OD2-NE 3.09Å; D109-R111 PolarHBondContact OD2-NE 2.73Å; D109-R111 VanDerWaalsContact OD2-NE 3.1Å; D109-R111 IonicContact OD2-NH2 3.74Å; D109-R111 PolarHBondContact OD2-NH2 2.97Å; D109-H112 PolarHBondContact O-N 3.08Å; D109-H112 IonicContact OD2-CE1 3.86Å; D109-H112 IonicContact OD2-ND1 3.58Å; D109-H112 PolarHBondContact OD2-ND1 2.91Å
110	A	73.3	Confident	85.2	Confident	34 Å²	34	41.2 Å²	41.2	28%	0.281	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-20.9	-178.1	0	0	0	0	0	112.1	K49 K108 Y517	K49-A110 VanDerWaalsContact NZ-C 3.26Å; K49-A110 PolarHBondContact NZ-O 3.15Å; K108-A110 PolarHBondContact O-N 3.26Å; A110-Y517 HydrophobicContact CB-CD1 3.82Å; A110-Y517 HydrophobicContact CB-CE1 3.29Å
111	R	75.1	Confident	85.7	Confident	81 Å²	81	42.9 Å²	42.9	31%	0.306	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-28.6	179.8	-60.6	175.1	-67.2	-168.7	-3.2	114.8	D109 E521	D109-R111 PolarHBondContact O-N 3.24Å; D109-R111 VanDerWaalsContact OD1-CB 3.31Å; D109-R111 WeakPolarHBondContact OD1-CB 3.4Å; D109-R111 WeakPolarHBondContact OD1-CG 3.2Å; D109-R111 IonicContact OD1-CZ 3.62Å; D109-R111 PolarHBondContact OD1-N 3.27Å; D109-R111 IonicContact OD1-NE 3.72Å; D109-R111 PolarHBondContact OD1-NE 2.87Å; D109-R111 IonicContact OD1-NH2 2.73Å; D109-R111 IonicContact OD2-CZ 2.97Å; D109-R111 IonicContact OD2-NE 3.09Å; D109-R111 PolarHBondContact OD2-NE 2.73Å; D109-R111 VanDerWaalsContact OD2-NE 3.1Å; D109-R111 IonicContact OD2-NH2 3.74Å; D109-R111 PolarHBondContact OD2-NH2 2.97Å; R111-E521 IonicContact CZ-OE2 3.96Å; R111-E521 IonicContact NH1-OE2 3.59Å; R111-E521 PolarHBondContact NH1-OE2 2.72Å
112	H	84.1	Confident	86.3	Confident	30 Å²	30	40.1 Å²	40.1	14%	0.139	19%	0.193	C	C	.	.	S	Bend	trans	-99.1	113.9	-175.2	-63.3	87.2	0	0	0	110.5	K49 E74 L106 D109 C114	K49-H112 PolarHBondContact NZ-O 3.38Å; E74-H112 PolarHBondContact O-CD2 2.93Å; E74-H112 VanDerWaalsContact O-CD2 3.26Å; E74-H112 PolarHBondContact O-NE2 3.42Å; L106-H112 HydrophobicContact CD1-CB 3.67Å; L106-H112 VanDerWaalsContact CD1-CD2 3.48Å; L106-H112 WeakPolarHBondContact CD1-CD2 3.42Å; D109-H112 PolarHBondContact O-N 3.08Å; D109-H112 IonicContact OD2-CE1 3.86Å; D109-H112 IonicContact OD2-ND1 3.58Å; D109-H112 PolarHBondContact OD2-ND1 2.91Å; H112-C114 VanDerWaalsContact C-N 3.25Å; H112-C114 PolarHBondContact O-N 3.37Å
113	D	88.4	Confident	86.7	Confident	18 Å²	18	40.8 Å²	40.8	10%	0.096	20%	0.197	C	C	.	.			trans	-72.1	78.7	-177.5	-174.1	34.1	0	0	0	112.1	L51 S52 K79 G80 I81	L51-D113 WeakPolarHBondContact CA-OD1 3.48Å; S52-D113 WeakPolarHBondContact CB-OD2 3.16Å; S52-D113 PolarHBondContact N-OD1 3.09Å; S52-D113 VanDerWaalsContact N-OD1 3.11Å; S52-D113 PolarHBondContact N-OD2 3.1Å; S52-D113 VanDerWaalsContact N-OD2 3.15Å; K79-D113 HydrophobicContact CB-CB 3.98Å; K79-D113 HydrophobicContact CG-CB 4.07Å; G80-D113 PolarHBondContact N-O 2.7Å; G80-D113 VanDerWaalsContact N-O 3.09Å; G80-D113 PolarHBondContact N-OD2 3.34Å; I81-D113 PolarHBondContact N-O 3.06Å
114	C	92.3	Very high	86.8	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.007	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	149.7	-178.9	68.3	0	0	0	0	112.2	I81 F83 H112	I81-C114 HydrophobicContact CB-CB 3.8Å; I81-C114 HydrophobicContact CG2-CB 4.48Å; I81-C114 CarbonylContact O-C 3.54Å; I81-C114 WeakPolarHBondContact O-CA 3.33Å; F83-C114 HydrophobicContact CD2-CB 4.09Å; F83-C114 HydrophobicContact CE2-CB 3.81Å; H112-C114 VanDerWaalsContact C-N 3.25Å; H112-C114 PolarHBondContact O-N 3.37Å
115	I	92.8	Very high	87	Confident	8 Å²	8	39.2 Å²	39.2	4%	0.041	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	161.2	179.2	65.1	92.9	0	0	0	111.7	H34 L51 I81 I82 F83 L107 F117	H34-I115 HydrophobicContact CB-CB 4.13Å; H34-I115 HydrophobicContact CB-CD1 4.16Å; H34-I115 HydrophobicContact CB-CG1 4.12Å; H34-I115 HydrophobicContact CB-CG2 3.97Å; L51-I115 HydrophobicContact CD1-CG1 3.92Å; L51-I115 HydrophobicContact CD2-CB 4.34Å; L51-I115 HydrophobicContact CD2-CG1 3.76Å; L51-I115 HydrophobicContact CD2-CG2 3.84Å; L51-I115 HydrophobicContact CG-CG1 3.8Å; L51-I115 HydrophobicContact CG-CG2 3.98Å; I81-I115 PolarHBondContact O-N 2.83Å; I82-I115 HydrophobicContact CB-CD1 4.39Å; I82-I115 HydrophobicContact CG1-CD1 4.14Å; I82-I115 HydrophobicContact CG1-CG1 4.14Å; I82-I115 HydrophobicContact CG2-CD1 3.87Å; F83-I115 PolarHBondContact N-O 2.7Å; L107-I115 VanDerWaalsContact CD2-C 3.41Å; I115-F117 HydrophobicContact CD1-CB 4.1Å
116	L	92.4	Very high	87.5	Confident	75 Å²	75	36.3 Å²	36.3	39%	0.393	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	119.8	172.8	175.7	68.1	0	0	0	109.1	F83 C88 L107	F83-L116 WeakPolarHBondContact O-CA 3.32Å; C88-L116 HydrophobicContact CB-CD1 4.28Å; C88-L116 WeakPolarHBondContact SG-CD1 3.44Å; L107-L116 HydrophobicContact CD1-CB 3.98Å; L107-L116 HydrophobicContact CD1-CD1 4.46Å; L107-L116 HydrophobicContact CD2-CB 4.03Å
117	F	93.5	Very high	87.7	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	123.2	173.2	-175.3	-112.5	0	0	0	111.2	V31 C33 I82 F83 M84 Q85 I115 N119 Q122 W149 Y150	V31-F117 HydrophobicContact CB-CE2 4.32Å; V31-F117 HydrophobicContact CG1-CD2 4.29Å; V31-F117 HydrophobicContact CG1-CE2 3.88Å; V31-F117 HydrophobicContact CG1-CZ 4.5Å; C33-F117 HydrophobicContact CB-CE2 4.5Å; I82-F117 HydrophobicContact CG2-CB 3.86Å; F83-F117 PolarHBondContact O-N 2.84Å; M84-F117 HydrophobicContact CE-CD1 4.31Å; M84-F117 HydrophobicContact SD-CB 4.09Å; M84-F117 HydrophobicContact SD-CD1 3.69Å; M84-F117 HydrophobicContact SD-CG 4.38Å; Q85-F117 PolarHBondContact N-O 3.09Å; I115-F117 HydrophobicContact CD1-CB 4.1Å; F117-N119 HydrophobicContact CD1-CB 3.87Å; F117-N119 HydrophobicContact CE1-CB 4Å; F117-N119 PolarHBondContact O-N 2.6Å; F117-Q122 HydrophobicContact CZ-CB 4.05Å; F117-Q122 HydrophobicContact CZ-CG 4.06Å; F117-W149 HydrophobicContact CE1-CE3 4.05Å; F117-W149 AromaticContact CE1-CZ3 3.93Å; F117-W149 HydrophobicContact CE1-CZ3 3.93Å; F117-W149 HydrophobicContact CE2-CH2 4.18Å; F117-W149 AromaticContact CE2-CZ3 3.77Å; F117-W149 HydrophobicContact CE2-CZ3 3.77Å; F117-W149 AromaticContact CZ-CE3 3.77Å; F117-W149 HydrophobicContact CZ-CE3 3.77Å; F117-W149 AromaticContact CZ-CH2 3.83Å; F117-W149 HydrophobicContact CZ-CH2 3.83Å; F117-W149 AromaticContact CZ-CZ3 3.23Å; F117-W149 HydrophobicContact CZ-CZ3 3.23Å; F117-Y150 HydrophobicContact CD1-CD2 4.4Å; F117-Y150 HydrophobicContact CD2-CE2 4.13Å; F117-Y150 HydrophobicContact CE2-CE2 4.49Å; F117-Y150 HydrophobicContact CG-CD2 4.44Å; F117-Y150 HydrophobicContact CG-CE2 4.17Å
118	A	92.5	Very high	87.7	Confident	25 Å²	25	40 Å²	40	21%	0.207	21%	0.208	C	C	.	.			trans	-82	63.7	-177.9	0	0	0	0	0	112.3	V31 Q85 E120 F121 Q122	V31-A118 HydrophobicContact CG1-CB 3.88Å; Q85-A118 VanDerWaalsContact OE1-CA 3.31Å; A118-E120 VanDerWaalsContact C-N 3.27Å; A118-E120 PolarHBondContact O-N 2.74Å; A118-F121 HydrophobicContact CB-CD2 4.07Å; A118-F121 PolarHBondContact O-N 3.17Å; A118-Q122 PolarHBondContact O-N 3.44Å
119	N	93.6	Very high	88.2	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-56	-36	-174.5	66	-50.8	0	0	0	113.3	M84 Q85 T86 F117 F121 Q122 C125 S142 A146	M84-N119 HydrophobicContact SD-CB 3.95Å; Q85-N119 WeakPolarHBondContact CB-OD1 3.32Å; Q85-N119 PolarHBondContact N-OD1 3.09Å; Q85-N119 VanDerWaalsContact N-OD1 3.12Å; T86-N119 PolarHBondContact N-OD1 2.89Å; T86-N119 VanDerWaalsContact N-OD1 3.14Å; T86-N119 PolarHBondContact OG1-ND2 2.98Å; T86-N119 PolarHBondContact OG1-OD1 3.16Å; F117-N119 HydrophobicContact CD1-CB 3.87Å; F117-N119 HydrophobicContact CE1-CB 4Å; F117-N119 PolarHBondContact O-N 2.6Å; N119-F121 VanDerWaalsContact C-N 3.27Å; N119-F121 PolarHBondContact O-N 3.42Å; N119-Q122 PolarHBondContact O-N 3.47Å; N119-C125 HydrophobicContact CB-CB 4.37Å; N119-C125 WeakPolarHBondContact O-CB 3.36Å; N119-S142 PolarHBondContact ND2-OG 2.99Å; N119-A146 HydrophobicContact CB-CB 3.67Å
120	E	91.6	Very high	88.7	Confident	4 Å²	4	43.7 Å²	43.7	2%	0.019	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-68.9	-24	178.9	-68.3	-171.1	-151.4	0	0	113.5	K7 H25 L27 T86 A118 Y126 W138	K7-E120 IonicContact NZ-OE2 3.01Å; K7-E120 PolarHBondContact NZ-OE2 3.16Å; H25-E120 PolarHBondContact NE2-O 3.48Å; L27-E120 WeakPolarHBondContact CD2-O 2.9Å; T86-E120 WeakPolarHBondContact OG1-CG 3.28Å; T86-E120 PolarHBondContact OG1-OE1 2.69Å; A118-E120 VanDerWaalsContact C-N 3.27Å; A118-E120 PolarHBondContact O-N 2.74Å; E120-Y126 HydrophobicContact CB-CD2 4.43Å; E120-Y126 WeakPolarHBondContact O-CD2 3.49Å; E120-W138 WeakPolarHBondContact OE1-CH2 3.4Å
121	F	90.4	Very high	89.2	Confident	76 Å²	76	54.2 Å²	54.2	33%	0.333	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-93.6	-10.5	177.6	-62.7	-49	0	0	0	112.9	H25 R28 V31 A118 N119	H25-F121 AromaticContact CE1-CD1 3.55Å; H25-F121 AromaticContact CE1-CE1 3.42Å; H25-F121 VanDerWaalsContact CE1-CE1 3.42Å; H25-F121 WeakPolarHBondContact CE1-CE1 3.44Å; H25-F121 AromaticContact ND1-CE1 3.78Å; H25-F121 AromaticContact NE2-CD1 3.93Å; R28-F121 PolarHBondContact N-O 3.1Å; V31-F121 HydrophobicContact CG2-CB 4.34Å; A118-F121 HydrophobicContact CB-CD2 4.07Å; A118-F121 PolarHBondContact O-N 3.17Å; N119-F121 VanDerWaalsContact C-N 3.27Å; N119-F121 PolarHBondContact O-N 3.42Å
122	Q	90.9	Very high	89.7	Confident	7 Å²	7	54.5 Å²	54.5	3%	0.033	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-83.6	122	179.1	179.2	60.2	-20.8	0	0	110.6	R28 P29 V31 F117 A118 N119 C124 C125 Y126 W149	R28-Q122 PolarHBondContact O-OE1 3.43Å; P29-Q122 PolarHBondContact O-NE2 2.99Å; P29-Q122 VanDerWaalsContact O-NE2 3.1Å; P29-Q122 PolarHBondContact O-OE1 3.13Å; V31-Q122 HydrophobicContact CB-CB 4.04Å; V31-Q122 HydrophobicContact CB-CG 4.49Å; V31-Q122 HydrophobicContact CG2-CB 3.82Å; F117-Q122 HydrophobicContact CZ-CB 4.05Å; F117-Q122 HydrophobicContact CZ-CG 4.06Å; A118-Q122 PolarHBondContact O-N 3.44Å; N119-Q122 PolarHBondContact O-N 3.47Å; Q122-C124 VanDerWaalsContact C-N 3.28Å; Q122-C124 PolarHBondContact O-N 2.83Å; Q122-C125 HydrophobicContact CB-CB 4.05Å; Q122-C125 HydrophobicContact CG-CB 4.19Å; Q122-C125 VanDerWaalsContact CG-SG 3.5Å; Q122-C125 PolarHBondContact O-N 2.92Å; Q122-Y126 PolarHBondContact O-N 2.83Å; Q122-W149 HydrophobicContact CG-CZ2 4.24Å
123	Q	89.3	Confident	89.9	Confident	76 Å²	76	54.4 Å²	54.4	36%	0.355	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-39	-171.1	-175.7	179.3	-3.4	0	0	113	L27 R28	L27-Q123 HydrophobicContact CB-CB 4.13Å; L27-Q123 HydrophobicContact CB-CG 4.29Å; R28-Q123 VanDerWaalsContact O-CB 3.28Å; R28-Q123 WeakPolarHBondContact O-CB 3.45Å; R28-Q123 PolarHBondContact O-N 2.7Å
124	C	88.3	Confident	89.9	Confident	82 Å²	82	55.9 Å²	55.9	55%	0.554	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-16.1	179.4	-58.3	0	0	0	0	113.9	Q122 W149	Q122-C124 VanDerWaalsContact C-N 3.28Å; Q122-C124 PolarHBondContact O-N 2.83Å; C124-W149 VanDerWaalsContact CB-CD1 3.43Å; C124-W149 HydrophobicContact CB-CG 4.43Å
125	C	90.9	Very high	89.7	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-25.1	-179.3	-55	0	0	0	0	112.7	N119 Q122 L127 N145 A146 W149	N119-C125 HydrophobicContact CB-CB 4.37Å; N119-C125 WeakPolarHBondContact O-CB 3.36Å; Q122-C125 HydrophobicContact CB-CB 4.05Å; Q122-C125 HydrophobicContact CG-CB 4.19Å; Q122-C125 VanDerWaalsContact CG-SG 3.5Å; Q122-C125 PolarHBondContact O-N 2.92Å; C125-L127 PolarHBondContact O-N 2.68Å; C125-N145 PolarHBondContact O-ND2 3.15Å; C125-A146 HydrophobicContact CB-CB 4.18Å; C125-W149 VanDerWaalsContact SG-CE3 3.52Å
126	Y	90.4	Very high	89.5	Confident	37 Å²	37	64.3 Å²	64.3	15%	0.145	33%	0.334	C	S	.	.			trans	-64.6	122.1	-173.5	177.5	-103.9	0	0	0	111.9	E5 H25 L27 E120 Q122 P128	E5-Y126 HydrophobicContact CB-CE1 4.49Å; E5-Y126 HydrophobicContact CG-CE1 4.14Å; H25-Y126 AromaticContact CD2-CE2 3.64Å; H25-Y126 AromaticContact CD2-CZ 3.9Å; H25-Y126 AromaticContact NE2-CD2 3.6Å; H25-Y126 AromaticContact NE2-CE2 3.42Å; H25-Y126 WeakPolarHBondContact NE2-CE2 3.49Å; L27-Y126 HydrophobicContact CD1-CD1 3.71Å; L27-Y126 HydrophobicContact CD1-CE1 4.4Å; L27-Y126 HydrophobicContact CD1-CG 4.2Å; L27-Y126 HydrophobicContact CD2-CD1 3.72Å; L27-Y126 HydrophobicContact CD2-CD2 3.92Å; L27-Y126 HydrophobicContact CD2-CE1 4.37Å; L27-Y126 HydrophobicContact CD2-CG 3.44Å; L27-Y126 VanDerWaalsContact CD2-CG 3.44Å; L27-Y126 HydrophobicContact CG-CD1 4.31Å; L27-Y126 HydrophobicContact CG-CG 4.46Å; E120-Y126 HydrophobicContact CB-CD2 4.43Å; E120-Y126 WeakPolarHBondContact O-CD2 3.49Å; Q122-Y126 PolarHBondContact O-N 2.83Å; Y126-P128 HydrophobicContact CE1-CB 4.34Å
127	L	89.9	Confident	89.4	Confident	42 Å²	42	65.4 Å²	65.4	22%	0.22	34%	0.335	C	S	.	.			trans	-119.5	122.3	172.1	-75	177	0	0	0	110.4	C125 W138 R141 N145	C125-L127 PolarHBondContact O-N 2.68Å; L127-W138 PolarHBondContact O-NE1 3.09Å; L127-R141 HydrophobicContact CD1-CG 4.39Å; L127-N145 HydrophobicContact CD1-CB 3.27Å; L127-N145 VanDerWaalsContact CD1-CG 3.42Å; L127-N145 HydrophobicContact CG-CB 4.13Å
128	P	87.1	Confident	89.4	Confident	75 Å²	75	66 Å²	66	49%	0.487	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-69.8	151.4	172.7	29.8	-33.5	0	0	0	111	Y126 R141	Y126-P128 HydrophobicContact CE1-CB 4.34Å; P128-R141 PolarHBondContact O-NH2 3.38Å; P128-R141 VanDerWaalsContact O-NH2 3.14Å
129	R	88.4	Confident	89.4	Confident	128 Å²	128	65.2 Å²	65.2	48%	0.483	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-69.7	130.3	174.2	-178.6	170.3	170.5	-168	-4.5	110.4	E133 W138	R129-E133 HydrophobicContact CG-CB 4.3Å; R129-E133 PolarHBondContact NE-O 3.26Å; R129-E133 PolarHBondContact NH2-O 2.85Å; R129-W138 HydrophobicContact CB-CB 4.34Å; R129-W138 HydrophobicContact CB-CD2 4.17Å; R129-W138 HydrophobicContact CB-CG 3.75Å; R129-W138 HydrophobicContact CG-CB 3.98Å; R129-W138 HydrophobicContact CG-CG 3.94Å
130	E	88.3	Confident	89.4	Confident	119 Å²	119	65.4 Å²	65.4	56%	0.556	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-76.7	157	-179.5	-70.8	177.5	-164.4	0	0	111.6	G132 E133 R141	E130-G132 PolarHBondContact O-N 3.47Å; E130-E133 HydrophobicContact CB-CB 4.04Å; E130-E133 PolarHBondContact N-OE2 3.08Å; E130-E133 WeakPolarHBondContact O-CB 3.42Å; E130-E133 PolarHBondContact O-N 3.11Å; E130-R141 IonicContact OE1-CZ 3.38Å; E130-R141 IonicContact OE1-NH1 3.22Å; E130-R141 IonicContact OE1-NH2 2.77Å
131	R	83.8	Confident	89.5	Confident	254 Å²	254	67 Å²	67	96%	0.958	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	121.8	179.2	-68.5	-175.9	-177.4	178.7	2.3	109.6	E133	R131-E133 VanDerWaalsContact C-N 3.3Å
132	G	84.3	Confident	89.7	Confident	88 Å²	88	63.5 Å²	63.5	91%	0.907	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.3	-8	-179.5	0	0	0	0	0	114.5	E130	E130-G132 PolarHBondContact O-N 3.47Å
133	E	89.1	Confident	89.9	Confident	27 Å²	27	63.1 Å²	63.1	13%	0.126	32%	0.32	C	S	.	.			trans	-69	139	173.9	-170.5	-177.8	-156.5	0	0	110.3	R129 E130 R131 K137 W138 R141	R129-E133 HydrophobicContact CG-CB 4.3Å; R129-E133 PolarHBondContact NE-O 3.26Å; R129-E133 PolarHBondContact NH2-O 2.85Å; E130-E133 HydrophobicContact CB-CB 4.04Å; E130-E133 PolarHBondContact N-OE2 3.08Å; E130-E133 WeakPolarHBondContact O-CB 3.42Å; E130-E133 PolarHBondContact O-N 3.11Å; R131-E133 VanDerWaalsContact C-N 3.3Å; E133-K137 HydrophobicContact CG-CB 4.07Å; E133-W138 HydrophobicContact CG-CB 4.22Å; E133-W138 VanDerWaalsContact OE1-CA 3.31Å; E133-W138 WeakPolarHBondContact OE1-CA 3.37Å; E133-W138 PolarHBondContact OE1-N 3.15Å; E133-R141 VanDerWaalsContact CD-NH2 3.34Å; E133-R141 IonicContact OE1-CZ 2.64Å; E133-R141 IonicContact OE1-NE 3.53Å; E133-R141 PolarHBondContact OE1-NE 3.45Å; E133-R141 IonicContact OE1-NH2 3.36Å; E133-R141 PolarHBondContact OE1-NH2 2.89Å; E133-R141 VanDerWaalsContact OE1-NH2 3.16Å; E133-R141 IonicContact OE2-CZ 2.73Å; E133-R141 IonicContact OE2-NE 3.29Å; E133-R141 IonicContact OE2-NH2 2.9Å; E133-R141 PolarHBondContact OE2-NH2 3.48Å
134	S	87.9	Confident	90.1	Very high	49 Å²	49	60.2 Å²	60.2	34%	0.343	31%	0.305	S	S	.	.			trans	-70.9	161	173.8	76.3	0	0	0	0	111	E136 K137 W138	S134-E136 VanDerWaalsContact C-N 3.27Å; S134-E136 PolarHBondContact O-N 2.77Å; S134-K137 WeakPolarHBondContact OG-CB 3.4Å; S134-K137 WeakPolarHBondContact OG-CG 3.13Å; S134-K137 PolarHBondContact OG-N 2.9Å; S134-K137 VanDerWaalsContact OG-N 3.15Å; S134-W138 WeakPolarHBondContact O-CB 3.17Å; S134-W138 PolarHBondContact O-N 2.8Å
135	M	87.2	Confident	90.3	Very high	76 Å²	76	58.5 Å²	58.5	37%	0.374	29%	0.291	S	S	.	.	H	α-helix	trans	-63	-39.5	176.9	-172.9	69	-174.3	0	0	111.1	W138 Q139	M135-W138 HydrophobicContact CE-CE3 3.69Å; M135-W138 HydrophobicContact CE-CZ3 3.42Å; M135-W138 VanDerWaalsContact CE-CZ3 3.42Å; M135-W138 PolarHBondContact O-N 2.91Å; M135-W138 HydrophobicContact SD-CE3 3.83Å; M135-W138 HydrophobicContact SD-CZ3 4.15Å; M135-Q139 HydrophobicContact CE-CG 4.28Å; M135-Q139 VanDerWaalsContact O-CG 3.23Å; M135-Q139 WeakPolarHBondContact O-CG 3.32Å; M135-Q139 PolarHBondContact O-N 3Å
136	E	89.3	Confident	90.5	Very high	111 Å²	111	58.5 Å²	58.5	52%	0.519	29%	0.291	S	S	.	.	H	α-helix	trans	-65.8	-47.6	-177.6	-63.6	173.4	-175.5	0	0	111.6	W63 S134 W138 Q139 T140	W63-E136 HydrophobicContact CH2-CG 4.06Å; W63-E136 HydrophobicContact CZ2-CB 3.79Å; W63-E136 HydrophobicContact CZ2-CG 3.63Å; S134-E136 VanDerWaalsContact C-N 3.27Å; S134-E136 PolarHBondContact O-N 2.77Å; E136-W138 VanDerWaalsContact C-N 3.32Å; E136-W138 PolarHBondContact O-N 3.17Å; E136-Q139 WeakPolarHBondContact O-CB 3.19Å; E136-Q139 PolarHBondContact O-N 2.94Å; E136-Q139 VanDerWaalsContact O-N 3.17Å; E136-T140 PolarHBondContact O-N 3.33Å; E136-T140 VanDerWaalsContact O-N 3.14Å; E136-T140 PolarHBondContact O-OG1 2.96Å
137	K	90.6	Very high	90.6	Very high	98 Å²	98	56.8 Å²	56.8	43%	0.426	28%	0.284	S	S	.	.	H	α-helix	trans	-61.6	-41.6	176.7	-72.7	-168.6	172.9	-151	0	111.9	E133 S134 Q139 T140 R141 E168	E133-K137 HydrophobicContact CG-CB 4.07Å; S134-K137 WeakPolarHBondContact OG-CB 3.4Å; S134-K137 WeakPolarHBondContact OG-CG 3.13Å; S134-K137 PolarHBondContact OG-N 2.9Å; S134-K137 VanDerWaalsContact OG-N 3.15Å; K137-Q139 PolarHBondContact O-N 3.18Å; K137-T140 PolarHBondContact O-N 2.93Å; K137-R141 WeakPolarHBondContact O-CB 3.47Å; K137-R141 PolarHBondContact O-N 2.9Å; K137-E168 IonicContact NZ-OE2 2.89Å; K137-E168 PolarHBondContact NZ-OE2 2.85Å
138	W	92.6	Very high	90.8	Very high	12 Å²	12	55.5 Å²	55.5	5%	0.045	28%	0.278	C	S	.	.	H	α-helix	trans	-62.2	-41.7	175.3	172.2	68.5	0	0	0	112.4	T86 E120 L127 R129 E133 S134 M135 E136 R141 S142	T86-W138 HydrophobicContact CG2-CH2 4.37Å; T86-W138 HydrophobicContact CG2-CZ3 4.16Å; E120-W138 WeakPolarHBondContact OE1-CH2 3.4Å; L127-W138 PolarHBondContact O-NE1 3.09Å; R129-W138 HydrophobicContact CB-CB 4.34Å; R129-W138 HydrophobicContact CB-CD2 4.17Å; R129-W138 HydrophobicContact CB-CG 3.75Å; R129-W138 HydrophobicContact CG-CB 3.98Å; R129-W138 HydrophobicContact CG-CG 3.94Å; E133-W138 HydrophobicContact CG-CB 4.22Å; E133-W138 VanDerWaalsContact OE1-CA 3.31Å; E133-W138 WeakPolarHBondContact OE1-CA 3.37Å; E133-W138 PolarHBondContact OE1-N 3.15Å; S134-W138 WeakPolarHBondContact O-CB 3.17Å; S134-W138 PolarHBondContact O-N 2.8Å; M135-W138 HydrophobicContact CE-CE3 3.69Å; M135-W138 HydrophobicContact CE-CZ3 3.42Å; M135-W138 VanDerWaalsContact CE-CZ3 3.42Å; M135-W138 PolarHBondContact O-N 2.91Å; M135-W138 HydrophobicContact SD-CE3 3.83Å; M135-W138 HydrophobicContact SD-CZ3 4.15Å; E136-W138 VanDerWaalsContact C-N 3.32Å; E136-W138 PolarHBondContact O-N 3.17Å; W138-R141 PolarHBondContact O-N 3.44Å; W138-S142 WeakPolarHBondContact O-CB 3.44Å; W138-S142 PolarHBondContact O-N 2.94Å
139	Q	93.5	Very high	91.1	Very high	8 Å²	8	53.9 Å²	53.9	4%	0.037	26%	0.263	C	S	.	.	H	α-helix	trans	-61.1	-49.2	179.5	-74.8	167.6	-39.1	0	0	111.1	W63 T86 A90 M135 E136 K137 S142 I143	W63-Q139 VanDerWaalsContact CD1-CB 3.43Å; W63-Q139 HydrophobicContact CG-CB 4.07Å; T86-Q139 HydrophobicContact CG2-CB 3.96Å; T86-Q139 HydrophobicContact CG2-CG 3.77Å; A90-Q139 VanDerWaalsContact CB-NE2 3.27Å; M135-Q139 HydrophobicContact CE-CG 4.28Å; M135-Q139 VanDerWaalsContact O-CG 3.23Å; M135-Q139 WeakPolarHBondContact O-CG 3.32Å; M135-Q139 PolarHBondContact O-N 3Å; E136-Q139 WeakPolarHBondContact O-CB 3.19Å; E136-Q139 PolarHBondContact O-N 2.94Å; E136-Q139 VanDerWaalsContact O-N 3.17Å; K137-Q139 PolarHBondContact O-N 3.18Å; Q139-S142 PolarHBondContact O-N 3.46Å; Q139-I143 WeakPolarHBondContact O-CD1 3.35Å; Q139-I143 VanDerWaalsContact O-CG1 3.26Å; Q139-I143 WeakPolarHBondContact O-CG1 3.42Å; Q139-I143 PolarHBondContact O-N 3.38Å
140	T	93.6	Very high	91.2	Very high	4 Å²	4	47.8 Å²	47.8	3%	0.025	24%	0.24	C	C	.	.	H	α-helix	trans	-61.9	-46.3	178.4	-53.7	0	0	0	0	111.5	D62 W63 E136 K137 S142 I143 Y144 M162 A169	D62-T140 PolarHBondContact OD2-OG1 3.04Å; W63-T140 PolarHBondContact NE1-OG1 3.23Å; E136-T140 PolarHBondContact O-N 3.33Å; E136-T140 VanDerWaalsContact O-N 3.14Å; E136-T140 PolarHBondContact O-OG1 2.96Å; K137-T140 PolarHBondContact O-N 2.93Å; T140-S142 PolarHBondContact O-N 3.03Å; T140-I143 PolarHBondContact O-N 3.46Å; T140-Y144 PolarHBondContact O-N 3.05Å; T140-M162 HydrophobicContact CG2-CE 3.88Å; T140-A169 HydrophobicContact CG2-CB 3.76Å
141	R	93.3	Very high	91.3	Very high	39 Å²	39	44.1 Å²	44.1	15%	0.147	22%	0.221	C	C	.	.	H	α-helix	trans	-62.8	-41.1	177.8	-176	172.5	63.2	89.7	-0.2	113	L127 P128 E130 E133 K137 W138 I143 Y144 N145	L127-R141 HydrophobicContact CD1-CG 4.39Å; P128-R141 PolarHBondContact O-NH2 3.38Å; P128-R141 VanDerWaalsContact O-NH2 3.14Å; E130-R141 IonicContact OE1-CZ 3.38Å; E130-R141 IonicContact OE1-NH1 3.22Å; E130-R141 IonicContact OE1-NH2 2.77Å; E133-R141 VanDerWaalsContact CD-NH2 3.34Å; E133-R141 IonicContact OE1-CZ 2.64Å; E133-R141 IonicContact OE1-NE 3.53Å; E133-R141 PolarHBondContact OE1-NE 3.45Å; E133-R141 IonicContact OE1-NH2 3.36Å; E133-R141 PolarHBondContact OE1-NH2 2.89Å; E133-R141 VanDerWaalsContact OE1-NH2 3.16Å; E133-R141 IonicContact OE2-CZ 2.73Å; E133-R141 IonicContact OE2-NE 3.29Å; E133-R141 IonicContact OE2-NH2 2.9Å; E133-R141 PolarHBondContact OE2-NH2 3.48Å; K137-R141 WeakPolarHBondContact O-CB 3.47Å; K137-R141 PolarHBondContact O-N 2.9Å; W138-R141 PolarHBondContact O-N 3.44Å; R141-I143 VanDerWaalsContact C-N 3.33Å; R141-Y144 PolarHBondContact O-N 3.08Å; R141-N145 PolarHBondContact O-N 3.23Å
142	S	94.2	Very high	91.7	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.007	20%	0.196	C	C	.	.	H	α-helix	trans	-62.6	-40.2	175.9	-179.9	0	0	0	0	112	N119 W138 Q139 T140 A146	N119-S142 PolarHBondContact ND2-OG 2.99Å; W138-S142 WeakPolarHBondContact O-CB 3.44Å; W138-S142 PolarHBondContact O-N 2.94Å; Q139-S142 PolarHBondContact O-N 3.46Å; T140-S142 PolarHBondContact O-N 3.03Å; S142-A146 WeakPolarHBondContact O-CB 3.34Å; S142-A146 PolarHBondContact O-N 3.47Å; S142-A146 VanDerWaalsContact O-N 3.16Å
143	I	95.1	Very high	91.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-68.3	-43.9	178	-70.5	164.4	0	0	0	110.8	I60 D62 W63 M84 T86 A87 Q139 T140 R141 A146 A147 M162	I60-I143 HydrophobicContact CG2-CG2 3.66Å; D62-I143 VanDerWaalsContact OD1-CD1 3.25Å; D62-I143 WeakPolarHBondContact OD1-CD1 3.45Å; W63-I143 HydrophobicContact CB-CD1 4.2Å; M84-I143 HydrophobicContact CB-CG1 4.02Å; M84-I143 HydrophobicContact CG-CG1 4.19Å; M84-I143 HydrophobicContact CG-CG2 4.08Å; T86-I143 HydrophobicContact CG2-CD1 4.45Å; T86-I143 HydrophobicContact CG2-CG1 4.41Å; A87-I143 HydrophobicContact CB-CD1 3.94Å; Q139-I143 WeakPolarHBondContact O-CD1 3.35Å; Q139-I143 VanDerWaalsContact O-CG1 3.26Å; Q139-I143 WeakPolarHBondContact O-CG1 3.42Å; Q139-I143 PolarHBondContact O-N 3.38Å; T140-I143 PolarHBondContact O-N 3.46Å; R141-I143 VanDerWaalsContact C-N 3.33Å; I143-A146 PolarHBondContact O-N 3.32Å; I143-A147 PolarHBondContact O-N 3.1Å; I143-M162 HydrophobicContact CB-CE 4.33Å; I143-M162 HydrophobicContact CG2-CE 3.91Å; I143-M162 HydrophobicContact CG2-SD 4.26Å
144	Y	94.4	Very high	91.8	Very high	14 Å²	14	32.5 Å²	32.5	6%	0.055	15%	0.153	C	C	.	.	H	α-helix	trans	-60.2	-47.7	176.3	176.5	-107.4	0	0	0	112.4	T140 R141 A146 A147 V148 M162 Y173 E176 V180 V182	T140-Y144 PolarHBondContact O-N 3.05Å; R141-Y144 PolarHBondContact O-N 3.08Å; Y144-A146 VanDerWaalsContact C-N 3.26Å; Y144-A146 PolarHBondContact O-N 2.89Å; Y144-A147 WeakPolarHBondContact O-CA 3.43Å; Y144-A147 VanDerWaalsContact O-CB 3.27Å; Y144-A147 WeakPolarHBondContact O-CB 3.4Å; Y144-A147 PolarHBondContact O-N 3Å; Y144-V148 HydrophobicContact CD1-CG2 4.41Å; Y144-V148 HydrophobicContact CE1-CG2 3.97Å; Y144-V148 HydrophobicContact CE2-CG2 4.08Å; Y144-V148 PolarHBondContact O-N 2.92Å; Y144-M162 HydrophobicContact CD2-SD 3.92Å; Y144-M162 HydrophobicContact CG-SD 4.33Å; Y144-Y173 AromaticContact CD1-CD1 3.51Å; Y144-Y173 HydrophobicContact CD1-CD1 3.51Å; Y144-Y173 HydrophobicContact CD1-CD2 4.26Å; Y144-Y173 AromaticContact CD1-CE1 3.52Å; Y144-Y173 HydrophobicContact CD1-CE1 3.52Å; Y144-Y173 HydrophobicContact CD1-CE2 4.28Å; Y144-Y173 AromaticContact CD1-CG 3.9Å; Y144-Y173 HydrophobicContact CD1-CG 3.9Å; Y144-Y173 AromaticContact CD1-CZ 3.92Å; Y144-Y173 HydrophobicContact CD2-CD1 4.31Å; Y144-Y173 HydrophobicContact CD2-CD2 4.2Å; Y144-Y173 AromaticContact CD2-CG 3.91Å; Y144-Y173 HydrophobicContact CD2-CG 3.91Å; Y144-Y173 AromaticContact CE1-CD1 3.19Å; Y144-Y173 HydrophobicContact CE1-CD1 3.19Å; Y144-Y173 AromaticContact CE1-CE1 3.54Å; Y144-Y173 HydrophobicContact CE1-CE1 3.54Å; Y144-Y173 AromaticContact CE1-CG 3.8Å; Y144-Y173 HydrophobicContact CE1-CG 3.8Å; Y144-Y173 HydrophobicContact CE2-CD1 4.07Å; Y144-Y173 AromaticContact CE2-CG 3.84Å; Y144-Y173 HydrophobicContact CE2-CG 3.84Å; Y144-Y173 HydrophobicContact CG-CD1 4.04Å; Y144-Y173 HydrophobicContact CG-CD2 4.02Å; Y144-Y173 HydrophobicContact CG-CE1 4.24Å; Y144-Y173 HydrophobicContact CG-CE2 4.24Å; Y144-Y173 AromaticContact CG-CG 3.93Å; Y144-Y173 HydrophobicContact CG-CG 3.93Å; Y144-Y173 AromaticContact CZ-CD1 3.48Å; Y144-Y173 VanDerWaalsContact CZ-CD1 3.48Å; Y144-Y173 AromaticContact CZ-CG 3.74Å; Y144-E176 WeakPolarHBondContact CE1-OE2 3.49Å; Y144-E176 WeakPolarHBondContact OH-CB 3.45Å; Y144-E176 PolarHBondContact OH-OE2 3.31Å; Y144-V180 HydrophobicContact CD2-CG1 4.35Å; Y144-V180 HydrophobicContact CE2-CB 4.41Å; Y144-V180 HydrophobicContact CE2-CG1 4.09Å; Y144-V182 HydrophobicContact CD2-CG2 3.85Å; Y144-V182 HydrophobicContact CE2-CG2 3.72Å
145	N	93.3	Very high	91.7	Very high	47 Å²	47	35.3 Å²	35.3	25%	0.251	16%	0.161	S	C	.	.	H	α-helix	trans	-60.5	-37.2	177.5	-176	72.3	0	0	0	112.6	C125 L127 R141 A147 W149	C125-N145 PolarHBondContact O-ND2 3.15Å; L127-N145 HydrophobicContact CD1-CB 3.27Å; L127-N145 VanDerWaalsContact CD1-CG 3.42Å; L127-N145 HydrophobicContact CG-CB 4.13Å; R141-N145 PolarHBondContact O-N 3.23Å; N145-A147 VanDerWaalsContact C-N 3.34Å; N145-W149 PolarHBondContact O-N 3.36Å; N145-W149 VanDerWaalsContact O-N 3.07Å
146	A	93.8	Very high	91.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-67.1	-35.5	173.7	0	0	0	0	0	112.2	M84 N119 C125 S142 I143 Y144 W149 Y150	M84-A146 HydrophobicContact CE-CB 3.88Å; M84-A146 HydrophobicContact SD-CB 3.91Å; N119-A146 HydrophobicContact CB-CB 3.67Å; C125-A146 HydrophobicContact CB-CB 4.18Å; S142-A146 WeakPolarHBondContact O-CB 3.34Å; S142-A146 PolarHBondContact O-N 3.47Å; S142-A146 VanDerWaalsContact O-N 3.16Å; I143-A146 PolarHBondContact O-N 3.32Å; Y144-A146 VanDerWaalsContact C-N 3.26Å; Y144-A146 PolarHBondContact O-N 2.89Å; A146-W149 PolarHBondContact O-N 3.45Å; A146-Y150 WeakPolarHBondContact O-CB 3.49Å; A146-Y150 PolarHBondContact O-N 2.93Å
147	A	93.9	Very high	91.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.9	-46.3	175.5	0	0	0	0	0	112.2	I60 I143 Y144 N145 W149 Y150 Y151 I160 V180	I60-A147 HydrophobicContact CD1-CB 3.46Å; I60-A147 VanDerWaalsContact CD1-CB 3.46Å; I143-A147 PolarHBondContact O-N 3.1Å; Y144-A147 WeakPolarHBondContact O-CA 3.43Å; Y144-A147 VanDerWaalsContact O-CB 3.27Å; Y144-A147 WeakPolarHBondContact O-CB 3.4Å; Y144-A147 PolarHBondContact O-N 3Å; N145-A147 VanDerWaalsContact C-N 3.34Å; A147-W149 VanDerWaalsContact C-N 3.35Å; A147-W149 PolarHBondContact O-N 3.38Å; A147-Y150 WeakPolarHBondContact O-CB 3.47Å; A147-Y150 PolarHBondContact O-N 3.27Å; A147-Y150 VanDerWaalsContact O-N 3.12Å; A147-Y151 PolarHBondContact O-N 2.82Å; A147-I160 HydrophobicContact CB-CG2 4.01Å; A147-V180 HydrophobicContact CB-CG1 4.04Å
148	V	93.1	Very high	91.5	Very high	16 Å²	16	34.7 Å²	34.7	10%	0.097	15%	0.154	C	C	.	.	H	α-helix	trans	-58.4	-47.1	174.2	171.6	0	0	0	0	110.9	Y144 Y150 Y151 H152 E178 V180	Y144-V148 HydrophobicContact CD1-CG2 4.41Å; Y144-V148 HydrophobicContact CE1-CG2 3.97Å; Y144-V148 HydrophobicContact CE2-CG2 4.08Å; Y144-V148 PolarHBondContact O-N 2.92Å; V148-Y150 VanDerWaalsContact C-N 3.27Å; V148-Y150 PolarHBondContact O-N 3.03Å; V148-Y151 PolarHBondContact O-N 3.39Å; V148-H152 PolarHBondContact O-CD2 2.9Å; V148-H152 PolarHBondContact O-N 3.42Å; V148-E178 WeakPolarHBondContact CG1-OE2 3.13Å; V148-V180 HydrophobicContact CB-CG2 4.42Å; V148-V180 HydrophobicContact CG2-CG2 3.91Å
149	W	92.6	Very high	91.5	Very high	41 Å²	41	36.6 Å²	36.6	16%	0.155	17%	0.168	C	C	.	.	H	α-helix	trans	-58.2	-42	175.3	177.2	84.9	0	0	0	112	C33 F117 Q122 C124 C125 N145 A146 A147 H152 H153	C33-W149 HydrophobicContact CB-CH2 4.47Å; F117-W149 HydrophobicContact CE1-CE3 4.05Å; F117-W149 AromaticContact CE1-CZ3 3.93Å; F117-W149 HydrophobicContact CE1-CZ3 3.93Å; F117-W149 HydrophobicContact CE2-CH2 4.18Å; F117-W149 AromaticContact CE2-CZ3 3.77Å; F117-W149 HydrophobicContact CE2-CZ3 3.77Å; F117-W149 AromaticContact CZ-CE3 3.77Å; F117-W149 HydrophobicContact CZ-CE3 3.77Å; F117-W149 AromaticContact CZ-CH2 3.83Å; F117-W149 HydrophobicContact CZ-CH2 3.83Å; F117-W149 AromaticContact CZ-CZ3 3.23Å; F117-W149 HydrophobicContact CZ-CZ3 3.23Å; Q122-W149 HydrophobicContact CG-CZ2 4.24Å; C124-W149 VanDerWaalsContact CB-CD1 3.43Å; C124-W149 HydrophobicContact CB-CG 4.43Å; C125-W149 VanDerWaalsContact SG-CE3 3.52Å; N145-W149 PolarHBondContact O-N 3.36Å; N145-W149 VanDerWaalsContact O-N 3.07Å; A146-W149 PolarHBondContact O-N 3.45Å; A147-W149 VanDerWaalsContact C-N 3.35Å; A147-W149 PolarHBondContact O-N 3.38Å; W149-H152 PolarHBondContact O-N 2.74Å; W149-H153 HydrophobicContact CD2-CB 4.28Å; W149-H153 HydrophobicContact CE3-CB 4.23Å; W149-H153 HydrophobicContact CH2-CB 4.01Å; W149-H153 AromaticContact CH2-CD2 3.93Å; W149-H153 AromaticContact CH2-CG 3.59Å; W149-H153 AromaticContact CH2-ND1 3.66Å; W149-H153 HydrophobicContact CZ2-CB 4.05Å; W149-H153 AromaticContact CZ2-CG 3.77Å; W149-H153 AromaticContact CZ2-ND1 3.51Å; W149-H153 HydrophobicContact CZ3-CB 4.09Å; W149-H153 WeakPolarHBondContact O-CB 3.17Å; W149-H153 PolarHBondContact O-N 3.28Å
150	Y	90.9	Very high	91.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-65.7	-40.2	-177.8	-146.3	-76.4	0	0	0	111.7	C33 Y58 I82 F117 A146 A147 V148 H153 C154 I160	C33-Y150 HydrophobicContact CB-CE2 4.1Å; C33-Y150 PolarHBondContact O-OH 3.17Å; Y58-Y150 HydrophobicContact CD2-CD1 4.23Å; Y58-Y150 AromaticContact CD2-CE1 3.81Å; Y58-Y150 HydrophobicContact CD2-CE1 3.81Å; Y58-Y150 AromaticContact CE2-CE1 3.89Å; Y58-Y150 HydrophobicContact CE2-CE1 3.89Å; I82-Y150 HydrophobicContact CD1-CD1 3.87Å; I82-Y150 HydrophobicContact CD1-CD2 4.31Å; I82-Y150 HydrophobicContact CD1-CE1 3.47Å; I82-Y150 VanDerWaalsContact CD1-CE1 3.47Å; I82-Y150 HydrophobicContact CD1-CE2 3.95Å; I82-Y150 HydrophobicContact CD1-CG 4.26Å; I82-Y150 VanDerWaalsContact CD1-CZ 3.5Å; I82-Y150 HydrophobicContact CG2-CE2 4.38Å; F117-Y150 HydrophobicContact CD1-CD2 4.4Å; F117-Y150 HydrophobicContact CD2-CE2 4.13Å; F117-Y150 HydrophobicContact CE2-CE2 4.49Å; F117-Y150 HydrophobicContact CG-CD2 4.44Å; F117-Y150 HydrophobicContact CG-CE2 4.17Å; A146-Y150 WeakPolarHBondContact O-CB 3.49Å; A146-Y150 PolarHBondContact O-N 2.93Å; A147-Y150 WeakPolarHBondContact O-CB 3.47Å; A147-Y150 PolarHBondContact O-N 3.27Å; A147-Y150 VanDerWaalsContact O-N 3.12Å; V148-Y150 VanDerWaalsContact C-N 3.27Å; V148-Y150 PolarHBondContact O-N 3.03Å; Y150-H153 PolarHBondContact O-N 3.24Å; Y150-C154 PolarHBondContact O-N 2.95Å; Y150-C154 PolarHBondContact O-SG 2.73Å; Y150-I160 HydrophobicContact CD1-CD1 4.19Å
151	Y	91.8	Very high	91.6	Very high	42 Å²	42	36 Å²	36	17%	0.165	17%	0.165	C	C	.	.	H	α-helix	trans	-56.6	-54.3	173.8	176.1	-108.4	0	0	0	111.7	A147 V148 H153 C154 D156 M158 I160 E178	A147-Y151 PolarHBondContact O-N 2.82Å; V148-Y151 PolarHBondContact O-N 3.39Å; Y151-H153 VanDerWaalsContact C-N 3.33Å; Y151-H153 PolarHBondContact O-N 2.78Å; Y151-C154 PolarHBondContact O-N 3.3Å; Y151-D156 HydrophobicContact CE1-CB 3.9Å; Y151-D156 VanDerWaalsContact CE1-OD1 3.25Å; Y151-D156 WeakPolarHBondContact CE1-OD1 3.4Å; Y151-D156 HydrophobicContact CE2-CB 4.32Å; Y151-D156 PolarHBondContact O-N 2.78Å; Y151-M158 VanDerWaalsContact CD2-O 3.29Å; Y151-M158 WeakPolarHBondContact CD2-O 3.21Å; Y151-I160 HydrophobicContact CD2-CG1 4.28Å; Y151-I160 HydrophobicContact CG-CG1 4.5Å; Y151-E178 WeakPolarHBondContact CD1-O 3.42Å; Y151-E178 WeakPolarHBondContact CE1-O 3.11Å
152	H	91.1	Very high	91.6	Very high	93 Å²	93	34.2 Å²	34.2	43%	0.431	16%	0.158	S	C	.	.	H	α-helix	trans	-66	-34.9	178.5	-68.3	-45.9	0	0	0	112.9	V148 W149 C154 Q155 D156	V148-H152 PolarHBondContact O-CD2 2.9Å; V148-H152 PolarHBondContact O-N 3.42Å; W149-H152 PolarHBondContact O-N 2.74Å; H152-C154 VanDerWaalsContact C-N 3.27Å; H152-C154 PolarHBondContact O-N 2.76Å; H152-Q155 WeakPolarHBondContact O-CA 3.45Å; H152-Q155 PolarHBondContact O-N 3.49Å; H152-D156 WeakPolarHBondContact CA-OD1 3.38Å; H152-D156 IonicContact CE1-OD1 2.68Å; H152-D156 IonicContact CG-OD1 3.21Å; H152-D156 IonicContact ND1-OD1 3.58Å; H152-D156 PolarHBondContact ND1-OD1 2.94Å
153	H	88.9	Confident	91.7	Very high	31 Å²	31	34.1 Å²	34.1	14%	0.144	16%	0.158	C	C	.	.	H	α-helix	trans	-62.3	-36.8	175.8	-176.2	75	0	0	0	111.7	C33 C38 P39 W149 Y150 Y151 Q155	C33-H153 PolarHBondContact SG-NE2 3.15Å; C38-H153 PolarHBondContact SG-NE2 2.64Å; P39-H153 WeakPolarHBondContact CD-O 3.28Å; P39-H153 WeakPolarHBondContact CG-O 3.36Å; W149-H153 HydrophobicContact CD2-CB 4.28Å; W149-H153 HydrophobicContact CE3-CB 4.23Å; W149-H153 HydrophobicContact CH2-CB 4.01Å; W149-H153 AromaticContact CH2-CD2 3.93Å; W149-H153 AromaticContact CH2-CG 3.59Å; W149-H153 AromaticContact CH2-ND1 3.66Å; W149-H153 HydrophobicContact CZ2-CB 4.05Å; W149-H153 AromaticContact CZ2-CG 3.77Å; W149-H153 AromaticContact CZ2-ND1 3.51Å; W149-H153 HydrophobicContact CZ3-CB 4.09Å; W149-H153 WeakPolarHBondContact O-CB 3.17Å; W149-H153 PolarHBondContact O-N 3.28Å; Y150-H153 PolarHBondContact O-N 3.24Å; Y151-H153 VanDerWaalsContact C-N 3.33Å; Y151-H153 PolarHBondContact O-N 2.78Å; H153-Q155 PolarHBondContact O-N 3.05Å; H153-Q155 VanDerWaalsContact O-N 3.16Å
154	C	87.5	Confident	91.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	16.8	172.6	-69.3	0	0	0	0	113.7	L37 Y150 Y151 H152 D156 R157 M158	L37-C154 HydrophobicContact CB-CB 4.39Å; Y150-C154 PolarHBondContact O-N 2.95Å; Y150-C154 PolarHBondContact O-SG 2.73Å; Y151-C154 PolarHBondContact O-N 3.3Å; H152-C154 VanDerWaalsContact C-N 3.27Å; H152-C154 PolarHBondContact O-N 2.76Å; C154-D156 PolarHBondContact O-N 2.99Å; C154-R157 WeakPolarHBondContact O-CB 3.19Å; C154-R157 PolarHBondContact O-N 2.92Å; C154-M158 HydrophobicContact CB-CB 4.11Å
155	Q	86.1	Confident	91.5	Very high	108 Å²	108	35.5 Å²	35.5	51%	0.505	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	34.1	179.3	-55.1	-179.2	-35.1	0	0	113.1	P39 H152 H153 R157	P39-Q155 HydrophobicContact CB-CG 4.35Å; H152-Q155 WeakPolarHBondContact O-CA 3.45Å; H152-Q155 PolarHBondContact O-N 3.49Å; H153-Q155 PolarHBondContact O-N 3.05Å; H153-Q155 VanDerWaalsContact O-N 3.16Å; Q155-R157 HydrophobicContact CB-CG 4.3Å; Q155-R157 WeakPolarHBondContact O-CG 3.34Å; Q155-R157 PolarHBondContact O-N 3.34Å
156	D	87.4	Confident	91.4	Very high	85 Å²	85	35.2 Å²	35.2	46%	0.455	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	12.2	-179.9	-46.9	-38	0	0	0	113.8	Y151 H152 C154	Y151-D156 HydrophobicContact CE1-CB 3.9Å; Y151-D156 VanDerWaalsContact CE1-OD1 3.25Å; Y151-D156 WeakPolarHBondContact CE1-OD1 3.4Å; Y151-D156 HydrophobicContact CE2-CB 4.32Å; Y151-D156 PolarHBondContact O-N 2.78Å; H152-D156 WeakPolarHBondContact CA-OD1 3.38Å; H152-D156 IonicContact CE1-OD1 2.68Å; H152-D156 IonicContact CG-OD1 3.21Å; H152-D156 IonicContact ND1-OD1 3.58Å; H152-D156 PolarHBondContact ND1-OD1 2.94Å; C154-D156 PolarHBondContact O-N 2.99Å
157	R	85.8	Confident	91.1	Very high	175 Å²	175	42.6 Å²	42.6	66%	0.66	20%	0.198	S	C	*	.			trans	-86.9	-18.2	-176	-63.6	-178.6	64.2	-172.4	-2.6	114.2	C154 Q155	C154-R157 WeakPolarHBondContact O-CB 3.19Å; C154-R157 PolarHBondContact O-N 2.92Å; Q155-R157 HydrophobicContact CB-CG 4.3Å; Q155-R157 WeakPolarHBondContact O-CG 3.34Å; Q155-R157 PolarHBondContact O-N 3.34Å
158	M	89.7	Confident	90.9	Very high	13 Å²	13	48 Å²	48	6%	0.064	22%	0.223	C	C	.	.	S	Bend	trans	-123.3	109.4	-176.3	-175.6	58.4	66.7	0	0	109.5	L37 V55 H57 Y58 Y151 C154	L37-M158 HydrophobicContact CD1-CB 3.78Å; L37-M158 HydrophobicContact CD1-CE 3.75Å; L37-M158 HydrophobicContact CD1-CG 4.46Å; V55-M158 HydrophobicContact CG2-CE 4.28Å; V55-M158 HydrophobicContact CG2-SD 4.44Å; H57-M158 VanDerWaalsContact CA-SD 3.57Å; Y58-M158 HydrophobicContact CD1-CG 4.31Å; Y58-M158 HydrophobicContact CD2-CG 3.6Å; Y58-M158 HydrophobicContact CE1-CG 4.41Å; Y58-M158 HydrophobicContact CE2-CB 4.47Å; Y58-M158 HydrophobicContact CE2-CG 3.72Å; Y58-M158 HydrophobicContact CG-CG 3.91Å; Y151-M158 VanDerWaalsContact CD2-O 3.29Å; Y151-M158 WeakPolarHBondContact CD2-O 3.21Å; C154-M158 HydrophobicContact CB-CB 4.11Å
159	P	91.6	Very high	90.6	Very high	51 Å²	51	47.4 Å²	47.4	33%	0.331	22%	0.22	S	C	.	.			trans	-57.6	143.4	173.6	-23.2	33.7	0	0	0	111.5	H57 Y58 F181	H57-P159 VanDerWaalsContact CA-O 3.32Å; H57-P159 WeakPolarHBondContact CA-O 3.26Å; H57-P159 HydrophobicContact CB-CB 4.22Å; H57-P159 WeakPolarHBondContact CB-O 3.45Å; Y58-P159 PolarHBondContact N-O 3.35Å; P159-F181 HydrophobicContact CB-CE2 4.36Å
160	I	93.6	Very high	90.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	130.7	177.9	-57.3	-59.3	0	0	0	108.8	Y58 I60 A147 Y150 Y151 G179 V180 F181	Y58-I160 HydrophobicContact CD2-CD1 3.96Å; Y58-I160 HydrophobicContact CG-CD1 4.35Å; Y58-I160 WeakPolarHBondContact O-CA 3.48Å; I60-I160 HydrophobicContact CD1-CG2 3.39Å; I60-I160 HydrophobicContact CG1-CG2 4.11Å; A147-I160 HydrophobicContact CB-CG2 4.01Å; Y150-I160 HydrophobicContact CD1-CD1 4.19Å; Y151-I160 HydrophobicContact CD2-CG1 4.28Å; Y151-I160 HydrophobicContact CG-CG1 4.5Å; I160-G179 PolarHBondContact N-O 2.95Å; I160-V180 HydrophobicContact CB-CG2 4.24Å; I160-V180 HydrophobicContact CG2-CG1 4.28Å; I160-V180 CarbonylContact O-C 3.48Å; I160-V180 WeakPolarHBondContact O-CA 3.16Å; I160-F181 PolarHBondContact O-N 3.38Å
161	V	94.8	Very high	90.3	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	109.6	174.6	-173.9	0	0	0	0	108.7	H57 Y58 V59 I60 V163 F181 I183 Y188 F192	H57-V161 HydrophobicContact CB-CG2 4.17Å; Y58-V161 PolarHBondContact O-N 3.39Å; V59-V161 CarbonylContact C-O 3.52Å; V59-V161 WeakPolarHBondContact CA-O 3.18Å; I60-V161 PolarHBondContact N-O 2.85Å; V161-V163 HydrophobicContact CG1-CG1 4.21Å; V161-F181 CarbonylContact C-O 3.59Å; V161-F181 WeakPolarHBondContact CA-O 3.3Å; V161-F181 HydrophobicContact CG2-CB 4.44Å; V161-I183 HydrophobicContact CG1-CD1 3.82Å; V161-I183 HydrophobicContact CG1-CG1 3.94Å; V161-Y188 HydrophobicContact CB-CE2 4.44Å; V161-Y188 HydrophobicContact CG1-CD2 3.75Å; V161-Y188 HydrophobicContact CG1-CE2 4.12Å; V161-F192 HydrophobicContact CG1-CE2 4.3Å; V161-F192 HydrophobicContact CG2-CE2 4.16Å; V161-F192 HydrophobicContact CG2-CZ 3.84Å
162	M	95.2	Very high	90.1	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	124.8	171.7	179.4	178.6	168.6	0	0	109.2	I60 D62 T140 I143 Y144 V180 F181 V182 I183	I60-M162 WeakPolarHBondContact O-CA 3.39Å; D62-M162 HydrophobicContact CB-CE 4.14Å; T140-M162 HydrophobicContact CG2-CE 3.88Å; I143-M162 HydrophobicContact CB-CE 4.33Å; I143-M162 HydrophobicContact CG2-CE 3.91Å; I143-M162 HydrophobicContact CG2-SD 4.26Å; Y144-M162 HydrophobicContact CD2-SD 3.92Å; Y144-M162 HydrophobicContact CG-SD 4.33Å; M162-V180 HydrophobicContact CB-CG1 4.28Å; M162-F181 PolarHBondContact N-O 2.86Å; M162-V182 HydrophobicContact CB-CG2 4.23Å; M162-V182 WeakPolarHBondContact O-CA 3.44Å; M162-V182 HydrophobicContact SD-CG2 4.49Å; M162-I183 PolarHBondContact O-N 3.43Å
163	V	95.9	Very high	89.9	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.7	178	-65	0	0	0	0	110.5	V59 I60 P61 D62 V65 V161 I183 F185 Y188	V59-V163 HydrophobicContact CG2-CG1 4.17Å; V59-V163 HydrophobicContact CG2-CG2 4.05Å; I60-V163 PolarHBondContact O-N 2.76Å; I60-V163 VanDerWaalsContact O-N 3.08Å; P61-V163 HydrophobicContact CB-CG2 3.88Å; D62-V163 WeakPolarHBondContact CB-O 3.45Å; D62-V163 PolarHBondContact N-O 2.83Å; V65-V163 HydrophobicContact CB-CG2 4.49Å; V65-V163 HydrophobicContact CG1-CG2 3.95Å; V65-V163 HydrophobicContact CG2-CG2 4.47Å; V65-V163 WeakPolarHBondContact CG2-O 3.39Å; V161-V163 HydrophobicContact CG1-CG1 4.21Å; V163-I183 WeakPolarHBondContact CA-O 3.26Å; V163-I183 HydrophobicContact CG1-CG1 4.33Å; V163-F185 HydrophobicContact CB-CD2 3.97Å; V163-F185 HydrophobicContact CG1-CD2 4.27Å; V163-F185 HydrophobicContact CG2-CD2 3.82Å; V163-F185 HydrophobicContact CG2-CE2 4.33Å; V163-Y188 HydrophobicContact CG1-CD1 4.07Å; V163-Y188 HydrophobicContact CG1-CD2 3.95Å; V163-Y188 HydrophobicContact CG1-CG 3.58Å
164	T	94	Very high	89.4	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.006	27%	0.27	C	S	.	.			trans	-144.5	152.5	-178.2	-175.7	0	0	0	0	112.2	D62 D166 A169 V170 V182 I183 S184	D62-T164 PolarHBondContact OD2-OG1 2.86Å; T164-D166 PolarHBondContact OG1-N 3.09Å; T164-D166 VanDerWaalsContact OG1-N 3.14Å; T164-A169 HydrophobicContact CG2-CB 4.29Å; T164-V170 HydrophobicContact CG2-CG2 3.69Å; T164-V182 HydrophobicContact CG2-CG1 3.81Å; T164-I183 PolarHBondContact N-O 2.81Å; T164-I183 VanDerWaalsContact N-O 3.08Å; T164-S184 WeakPolarHBondContact O-CA 3.29Å
165	E	91.4	Very high	88.7	Confident	42 Å²	42	58.7 Å²	58.7	20%	0.196	30%	0.299	C	S	.	.	S	Bend	trans	-99.4	9.4	172.8	-63.5	-63.6	121.3	0	0	112.2	K64 V65 Y69 F185 R210	K64-E165 HydrophobicContact CD-CB 4.17Å; K64-E165 HydrophobicContact CG-CB 4.47Å; V65-E165 HydrophobicContact CG2-CG 4.07Å; Y69-E165 HydrophobicContact CE2-CG 3.82Å; E165-F185 WeakPolarHBondContact OE1-CB 3.48Å; E165-F185 PolarHBondContact OE1-N 3.26Å; E165-R210 IonicContact OE2-NH1 3.25Å
166	D	90.1	Very high	88.1	Confident	41 Å²	41	57.2 Å²	57.2	22%	0.219	29%	0.292	C	S	.	.			trans	-89	103.8	173.6	-175.1	-10.2	0	0	0	109.8	T164 E168 A169 V170	T164-D166 PolarHBondContact OG1-N 3.09Å; T164-D166 VanDerWaalsContact OG1-N 3.14Å; D166-E168 VanDerWaalsContact C-N 3.26Å; D166-E168 PolarHBondContact O-N 2.68Å; D166-E168 WeakPolarHBondContact OD1-CB 3.43Å; D166-E168 PolarHBondContact OD1-N 3.19Å; D166-A169 HydrophobicContact CB-CB 3.83Å; D166-A169 PolarHBondContact O-N 3.39Å; D166-A169 PolarHBondContact OD1-N 2.65Å; D166-V170 WeakPolarHBondContact O-CG2 3.4Å; D166-V170 PolarHBondContact O-N 2.83Å
167	E	87.9	Confident	86.8	Confident	154 Å²	154	59 Å²	59	72%	0.72	31%	0.307	S	S	*	.	H	α-helix	trans	-61.8	-33	-179.8	-65.1	-174.5	178.4	0	0	112.7	A169 V170 Q171	E167-A169 VanDerWaalsContact C-N 3.35Å; E167-V170 PolarHBondContact O-N 3.06Å; E167-Q171 WeakPolarHBondContact O-CG 3.48Å; E167-Q171 PolarHBondContact O-N 2.86Å; E167-Q171 VanDerWaalsContact O-N 3.07Å
168	E	89.4	Confident	85.9	Confident	115 Å²	115	55 Å²	55	54%	0.537	30%	0.295	S	S	.	.	H	α-helix	trans	-65.4	-43	176.4	-63.7	-178.3	179.7	0	0	109.9	K137 D166 Q171 Q172	K137-E168 IonicContact NZ-OE2 2.89Å; K137-E168 PolarHBondContact NZ-OE2 2.85Å; D166-E168 VanDerWaalsContact C-N 3.26Å; D166-E168 PolarHBondContact O-N 2.68Å; D166-E168 WeakPolarHBondContact OD1-CB 3.43Å; D166-E168 PolarHBondContact OD1-N 3.19Å; E168-Q171 PolarHBondContact O-N 2.92Å; E168-Q172 WeakPolarHBondContact O-CB 3.39Å; E168-Q172 PolarHBondContact O-N 2.88Å
169	A	87.5	Confident	85.3	Confident	3 Å²	3	55.1 Å²	55.1	3%	0.025	30%	0.3	C	S	.	.	H	α-helix	trans	-66.4	-39.8	178.1	0	0	0	0	0	112.4	T140 T164 D166 E167 Y173	T140-A169 HydrophobicContact CG2-CB 3.76Å; T164-A169 HydrophobicContact CG2-CB 4.29Å; D166-A169 HydrophobicContact CB-CB 3.83Å; D166-A169 PolarHBondContact O-N 3.39Å; D166-A169 PolarHBondContact OD1-N 2.65Å; E167-A169 VanDerWaalsContact C-N 3.35Å; A169-Y173 HydrophobicContact CB-CD2 3.97Å; A169-Y173 HydrophobicContact CB-CE2 4.09Å; A169-Y173 WeakPolarHBondContact O-CB 3.38Å; A169-Y173 VanDerWaalsContact O-CD2 3.27Å; A169-Y173 WeakPolarHBondContact O-CD2 3.28Å; A169-Y173 PolarHBondContact O-N 3.44Å
170	V	89.1	Confident	85.2	Confident	42 Å²	42	52.9 Å²	52.9	26%	0.255	29%	0.285	S	S	.	.	H	α-helix	trans	-61.6	-44.7	175.1	174.9	0	0	0	0	110.9	T164 D166 E167 G174 V182	T164-V170 HydrophobicContact CG2-CG2 3.69Å; D166-V170 WeakPolarHBondContact O-CG2 3.4Å; D166-V170 PolarHBondContact O-N 2.83Å; E167-V170 PolarHBondContact O-N 3.06Å; V170-G174 VanDerWaalsContact O-CA 3.3Å; V170-G174 WeakPolarHBondContact O-CA 3.37Å; V170-G174 PolarHBondContact O-N 2.83Å; V170-V182 HydrophobicContact CG2-CG1 4.37Å
171	Q	87.6	Confident	85.1	Confident	149 Å²	149	58.7 Å²	58.7	70%	0.696	31%	0.31	S	S	*	.	H	α-helix	trans	-67.1	-44.4	179.6	-71.9	176.4	16.6	0	0	112.3	E167 E168	E167-Q171 WeakPolarHBondContact O-CG 3.48Å; E167-Q171 PolarHBondContact O-N 2.86Å; E167-Q171 VanDerWaalsContact O-N 3.07Å; E168-Q171 PolarHBondContact O-N 2.92Å
172	Q	87.9	Confident	85	Confident	102 Å²	102	58.9 Å²	58.9	48%	0.477	31%	0.312	S	S	.	.	H	α-helix	trans	-65.6	-62	-179.1	-177.5	-178.8	-15.2	0	0	110.7	E168 S175	E168-Q172 WeakPolarHBondContact O-CB 3.39Å; E168-Q172 PolarHBondContact O-N 2.88Å; Q172-S175 PolarHBondContact O-OG 2.85Å
173	Y	86.6	Confident	85	Confident	21 Å²	21	60.4 Å²	60.4	8%	0.082	32%	0.32	C	S	.	.	H	α-helix	trans	-82.5	-23.4	-169.3	-58.5	-53	0	0	0	113.5	Y144 A169 S175 E176	Y144-Y173 AromaticContact CD1-CD1 3.51Å; Y144-Y173 HydrophobicContact CD1-CD1 3.51Å; Y144-Y173 HydrophobicContact CD1-CD2 4.26Å; Y144-Y173 AromaticContact CD1-CE1 3.52Å; Y144-Y173 HydrophobicContact CD1-CE1 3.52Å; Y144-Y173 HydrophobicContact CD1-CE2 4.28Å; Y144-Y173 AromaticContact CD1-CG 3.9Å; Y144-Y173 HydrophobicContact CD1-CG 3.9Å; Y144-Y173 AromaticContact CD1-CZ 3.92Å; Y144-Y173 HydrophobicContact CD2-CD1 4.31Å; Y144-Y173 HydrophobicContact CD2-CD2 4.2Å; Y144-Y173 AromaticContact CD2-CG 3.91Å; Y144-Y173 HydrophobicContact CD2-CG 3.91Å; Y144-Y173 AromaticContact CE1-CD1 3.19Å; Y144-Y173 HydrophobicContact CE1-CD1 3.19Å; Y144-Y173 AromaticContact CE1-CE1 3.54Å; Y144-Y173 HydrophobicContact CE1-CE1 3.54Å; Y144-Y173 AromaticContact CE1-CG 3.8Å; Y144-Y173 HydrophobicContact CE1-CG 3.8Å; Y144-Y173 HydrophobicContact CE2-CD1 4.07Å; Y144-Y173 AromaticContact CE2-CG 3.84Å; Y144-Y173 HydrophobicContact CE2-CG 3.84Å; Y144-Y173 HydrophobicContact CG-CD1 4.04Å; Y144-Y173 HydrophobicContact CG-CD2 4.02Å; Y144-Y173 HydrophobicContact CG-CE1 4.24Å; Y144-Y173 HydrophobicContact CG-CE2 4.24Å; Y144-Y173 AromaticContact CG-CG 3.93Å; Y144-Y173 HydrophobicContact CG-CG 3.93Å; Y144-Y173 AromaticContact CZ-CD1 3.48Å; Y144-Y173 VanDerWaalsContact CZ-CD1 3.48Å; Y144-Y173 AromaticContact CZ-CG 3.74Å; A169-Y173 HydrophobicContact CB-CD2 3.97Å; A169-Y173 HydrophobicContact CB-CE2 4.09Å; A169-Y173 WeakPolarHBondContact O-CB 3.38Å; A169-Y173 VanDerWaalsContact O-CD2 3.27Å; A169-Y173 WeakPolarHBondContact O-CD2 3.28Å; A169-Y173 PolarHBondContact O-N 3.44Å; Y173-S175 PolarHBondContact O-N 2.93Å; Y173-S175 VanDerWaalsContact O-N 3.1Å; Y173-E176 WeakPolarHBondContact CD1-OE2 3.43Å; Y173-E176 PolarHBondContact O-N 2.75Å; Y173-E176 VanDerWaalsContact O-N 3.08Å
174	G	78.9	Confident	84.9	Confident	42 Å²	42	61.8 Å²	61.8	43%	0.433	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.2	174.3	0	0	0	0	0	113.4	V170	V170-G174 VanDerWaalsContact O-CA 3.3Å; V170-G174 WeakPolarHBondContact O-CA 3.37Å; V170-G174 PolarHBondContact O-N 2.83Å
175	S	73.3	Confident	84.8	Confident	88 Å²	88	61.8 Å²	61.8	62%	0.615	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-11.2	177.6	72.8	0	0	0	0	114.7	Q172 Y173	Q172-S175 PolarHBondContact O-OG 2.85Å; Y173-S175 PolarHBondContact O-N 2.93Å; Y173-S175 VanDerWaalsContact O-N 3.1Å
176	E	71.7	Confident	84.9	Confident	76 Å²	76	63.2 Å²	63.2	36%	0.355	34%	0.335	S	S	.	.	S	Bend	trans	-83.4	-13.6	-168.7	-68.6	-177.7	-175.5	0	0	113.7	Y144 Y173 E178	Y144-E176 WeakPolarHBondContact CE1-OE2 3.49Å; Y144-E176 WeakPolarHBondContact OH-CB 3.45Å; Y144-E176 PolarHBondContact OH-OE2 3.31Å; Y173-E176 WeakPolarHBondContact CD1-OE2 3.43Å; Y173-E176 PolarHBondContact O-N 2.75Å; Y173-E176 VanDerWaalsContact O-N 3.08Å; E176-E178 VanDerWaalsContact C-N 3.25Å; E176-E178 PolarHBondContact O-N 2.71Å
177	T	60.3	Low	85	Confident	124 Å²	124	65 Å²	65	76%	0.761	34%	0.344	S	S	*	.			trans	50.2	24.1	166.9	60.5	0	0	0	0	118.1	G179	T177-G179 PolarHBondContact O-N 3.32Å
178	E	67.2	Low	85.2	Confident	90 Å²	90	57.7 Å²	57.7	42%	0.421	31%	0.31	S	S	.	.	S	Bend	trans	-78.3	31.5	176.5	-59.4	-167.9	156.9	0	0	113.4	V148 Y151 E176 V180	V148-E178 WeakPolarHBondContact CG1-OE2 3.13Å; Y151-E178 WeakPolarHBondContact CD1-O 3.42Å; Y151-E178 WeakPolarHBondContact CE1-O 3.11Å; E176-E178 VanDerWaalsContact C-N 3.25Å; E176-E178 PolarHBondContact O-N 2.71Å; E178-V180 PolarHBondContact O-N 2.92Å
179	G	78	Confident	85.4	Confident	15 Å²	15	52.3 Å²	52.3	16%	0.155	29%	0.285	C	S	.	.	S	Bend	trans	72.2	2.6	-175.7	0	0	0	0	0	115.3	I160 T177	I160-G179 PolarHBondContact N-O 2.95Å; T177-G179 PolarHBondContact O-N 3.32Å
180	V	89.4	Confident	85.7	Confident	5 Å²	5	55.4 Å²	55.4	3%	0.03	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	118	169.5	-175.5	0	0	0	0	109.2	Y144 A147 V148 I160 M162 E178 V182	Y144-V180 HydrophobicContact CD2-CG1 4.35Å; Y144-V180 HydrophobicContact CE2-CB 4.41Å; Y144-V180 HydrophobicContact CE2-CG1 4.09Å; A147-V180 HydrophobicContact CB-CG1 4.04Å; V148-V180 HydrophobicContact CB-CG2 4.42Å; V148-V180 HydrophobicContact CG2-CG2 3.91Å; I160-V180 HydrophobicContact CB-CG2 4.24Å; I160-V180 HydrophobicContact CG2-CG1 4.28Å; I160-V180 CarbonylContact O-C 3.48Å; I160-V180 WeakPolarHBondContact O-CA 3.16Å; M162-V180 HydrophobicContact CB-CG1 4.28Å; E178-V180 PolarHBondContact O-N 2.92Å; V180-V182 HydrophobicContact CG1-CG2 4.31Å
181	F	91.8	Very high	85.8	Confident	121 Å²	121	58.6 Å²	58.6	53%	0.531	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	117.2	176.3	-61.3	-81.1	0	0	0	109.8	P159 I160 V161 M162	P159-F181 HydrophobicContact CB-CE2 4.36Å; I160-F181 PolarHBondContact O-N 3.38Å; V161-F181 CarbonylContact C-O 3.59Å; V161-F181 WeakPolarHBondContact CA-O 3.3Å; V161-F181 HydrophobicContact CG2-CB 4.44Å; M162-F181 PolarHBondContact N-O 2.86Å
182	V	92.9	Very high	85.9	Confident	6 Å²	6	55.4 Å²	55.4	4%	0.036	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	113.4	177.5	-170.2	0	0	0	0	109.5	Y144 M162 T164 V170 V180	Y144-V182 HydrophobicContact CD2-CG2 3.85Å; Y144-V182 HydrophobicContact CE2-CG2 3.72Å; M162-V182 HydrophobicContact CB-CG2 4.23Å; M162-V182 WeakPolarHBondContact O-CA 3.44Å; M162-V182 HydrophobicContact SD-CG2 4.49Å; T164-V182 HydrophobicContact CG2-CG1 3.81Å; V170-V182 HydrophobicContact CG2-CG1 4.37Å; V180-V182 HydrophobicContact CG1-CG2 4.31Å
183	I	93.9	Very high	86.1	Confident	32 Å²	32	53.8 Å²	53.8	16%	0.164	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	162.8	-176.2	59.2	178.6	0	0	0	111.6	V161 M162 V163 T164 N187 Y188 F192	V161-I183 HydrophobicContact CG1-CD1 3.82Å; V161-I183 HydrophobicContact CG1-CG1 3.94Å; M162-I183 PolarHBondContact O-N 3.43Å; V163-I183 WeakPolarHBondContact CA-O 3.26Å; V163-I183 HydrophobicContact CG1-CG1 4.33Å; T164-I183 PolarHBondContact N-O 2.81Å; T164-I183 VanDerWaalsContact N-O 3.08Å; I183-N187 HydrophobicContact CB-CB 4.45Å; I183-Y188 HydrophobicContact CD1-CD2 4.21Å; I183-Y188 HydrophobicContact CD1-CG 4.5Å; I183-F192 HydrophobicContact CD1-CE2 4.02Å
184	S	94	Very high	86.2	Confident	29 Å²	29	56.4 Å²	56.4	20%	0.203	31%	0.31	C	S	.	.			trans	-66.7	154.5	170.9	69.8	0	0	0	0	111.3	T164 K186 N187 Y188	T164-S184 WeakPolarHBondContact O-CA 3.29Å; S184-K186 VanDerWaalsContact C-N 3.26Å; S184-K186 PolarHBondContact O-N 3.46Å; S184-N187 PolarHBondContact O-N 2.77Å; S184-N187 WeakPolarHBondContact OG-CB 3.4Å; S184-N187 PolarHBondContact OG-N 2.99Å; S184-N187 PolarHBondContact OG-ND2 3.28Å; S184-N187 PolarHBondContact OG-OD1 2.87Å; S184-Y188 PolarHBondContact O-N 3.37Å
185	F	92.8	Very high	86.7	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-64.7	-34.3	-178.8	-169.7	-118.6	0	0	0	112.2	V65 Y69 I72 L73 V163 E165 Y188 L189	V65-F185 HydrophobicContact CG1-CB 4.29Å; V65-F185 HydrophobicContact CG1-CD1 4.43Å; V65-F185 HydrophobicContact CG1-CD2 3.64Å; V65-F185 HydrophobicContact CG1-CE2 4.02Å; V65-F185 HydrophobicContact CG1-CG 3.86Å; V65-F185 HydrophobicContact CG2-CB 4.28Å; Y69-F185 VanDerWaalsContact CB-CE1 3.48Å; Y69-F185 AromaticContact CD1-CD1 3.82Å; Y69-F185 HydrophobicContact CD1-CD1 3.82Å; Y69-F185 HydrophobicContact CD1-CE1 4.03Å; Y69-F185 HydrophobicContact CD2-CB 4.43Å; Y69-F185 AromaticContact CD2-CD1 3.74Å; Y69-F185 HydrophobicContact CD2-CD1 3.74Å; Y69-F185 HydrophobicContact CD2-CE1 4.34Å; Y69-F185 HydrophobicContact CD2-CG 4.25Å; Y69-F185 HydrophobicContact CE1-CD1 4.32Å; Y69-F185 HydrophobicContact CE2-CB 4.48Å; Y69-F185 HydrophobicContact CE2-CD1 4.29Å; Y69-F185 AromaticContact CG-CD1 3.49Å; Y69-F185 HydrophobicContact CG-CD1 3.49Å; Y69-F185 VanDerWaalsContact CG-CD1 3.49Å; Y69-F185 AromaticContact CG-CE1 3.7Å; Y69-F185 HydrophobicContact CG-CE1 3.7Å; Y69-F185 HydrophobicContact CG-CG 4.39Å; I72-F185 HydrophobicContact CB-CE1 3.84Å; I72-F185 HydrophobicContact CB-CZ 3.96Å; I72-F185 HydrophobicContact CD1-CE1 3.86Å; I72-F185 HydrophobicContact CG1-CE1 4.43Å; I72-F185 HydrophobicContact CG2-CE1 3.74Å; I72-F185 HydrophobicContact CG2-CZ 3.64Å; L73-F185 HydrophobicContact CD2-CE2 3.89Å; L73-F185 HydrophobicContact CD2-CZ 4.03Å; L73-F185 HydrophobicContact CG-CZ 4.4Å; V163-F185 HydrophobicContact CB-CD2 3.97Å; V163-F185 HydrophobicContact CG1-CD2 4.27Å; V163-F185 HydrophobicContact CG2-CD2 3.82Å; V163-F185 HydrophobicContact CG2-CE2 4.33Å; E165-F185 WeakPolarHBondContact OE1-CB 3.48Å; E165-F185 PolarHBondContact OE1-N 3.26Å; F185-Y188 HydrophobicContact CD2-CD1 4.21Å; F185-Y188 HydrophobicContact CE2-CD1 4.03Å; F185-Y188 HydrophobicContact CE2-CE1 4.49Å; F185-Y188 WeakPolarHBondContact O-CB 3.15Å; F185-Y188 PolarHBondContact O-N 3.41Å; F185-L189 HydrophobicContact CD1-CD1 4.44Å; F185-L189 HydrophobicContact CE1-CD1 4.1Å; F185-L189 HydrophobicContact CZ-CD2 4.49Å; F185-L189 PolarHBondContact O-N 3.05Å
186	K	91.9	Very high	87.4	Confident	73 Å²	73	58.6 Å²	58.6	32%	0.317	31%	0.305	S	S	.	.	H	α-helix	trans	-62	-49.5	173.3	179.7	163.8	-179.6	153.3	0	112.2	S184 Y188 L189 D190 D204 L207	S184-K186 VanDerWaalsContact C-N 3.26Å; S184-K186 PolarHBondContact O-N 3.46Å; K186-Y188 PolarHBondContact O-N 3.4Å; K186-L189 PolarHBondContact O-N 3.43Å; K186-L189 VanDerWaalsContact O-N 3.11Å; K186-D190 PolarHBondContact O-N 2.82Å; K186-D204 IonicContact NZ-OD1 3.19Å; K186-D204 PolarHBondContact NZ-OD1 3.28Å; K186-L207 HydrophobicContact CB-CD1 4.43Å; K186-L207 HydrophobicContact CD-CD1 3.88Å
187	N	92.6	Very high	88	Confident	78 Å²	78	62.4 Å²	62.4	42%	0.417	32%	0.32	S	S	.	.	H	α-helix	trans	-62.9	-31.4	178.8	-69.1	-0.7	0	0	0	111.8	I183 S184 N191	I183-N187 HydrophobicContact CB-CB 4.45Å; S184-N187 PolarHBondContact O-N 2.77Å; S184-N187 WeakPolarHBondContact OG-CB 3.4Å; S184-N187 PolarHBondContact OG-N 2.99Å; S184-N187 PolarHBondContact OG-ND2 3.28Å; S184-N187 PolarHBondContact OG-OD1 2.87Å; N187-N191 VanDerWaalsContact O-CB 3.22Å; N187-N191 WeakPolarHBondContact O-CB 3.45Å; N187-N191 PolarHBondContact O-N 3.34Å; N187-N191 PolarHBondContact O-ND2 3.08Å; N187-N191 VanDerWaalsContact O-ND2 3.1Å
188	Y	93.6	Very high	89.1	Confident	1 Å²	1	58.9 Å²	58.9	0%	0.004	30%	0.304	C	S	.	.	H	α-helix	trans	-62.3	-47.4	173.6	172	-107	0	0	0	112.2	H57 V59 L78 V161 V163 I183 S184 F185 K186 N191 F192 W193	H57-Y188 AromaticContact NE2-CE2 3.35Å; H57-Y188 VanDerWaalsContact NE2-CE2 3.35Å; H57-Y188 WeakPolarHBondContact NE2-CE2 3.26Å; H57-Y188 AromaticContact NE2-CZ 3.74Å; H57-Y188 PolarHBondContact NE2-OH 2.98Å; V59-Y188 HydrophobicContact CB-CE2 4.45Å; V59-Y188 HydrophobicContact CG2-CE1 4.24Å; V59-Y188 HydrophobicContact CG2-CE2 4.14Å; L78-Y188 HydrophobicContact CD2-CE1 4.37Å; V161-Y188 HydrophobicContact CB-CE2 4.44Å; V161-Y188 HydrophobicContact CG1-CD2 3.75Å; V161-Y188 HydrophobicContact CG1-CE2 4.12Å; V163-Y188 HydrophobicContact CG1-CD1 4.07Å; V163-Y188 HydrophobicContact CG1-CD2 3.95Å; V163-Y188 HydrophobicContact CG1-CG 3.58Å; I183-Y188 HydrophobicContact CD1-CD2 4.21Å; I183-Y188 HydrophobicContact CD1-CG 4.5Å; S184-Y188 PolarHBondContact O-N 3.37Å; F185-Y188 HydrophobicContact CD2-CD1 4.21Å; F185-Y188 HydrophobicContact CE2-CD1 4.03Å; F185-Y188 HydrophobicContact CE2-CE1 4.49Å; F185-Y188 WeakPolarHBondContact O-CB 3.15Å; F185-Y188 PolarHBondContact O-N 3.41Å; K186-Y188 PolarHBondContact O-N 3.4Å; Y188-N191 PolarHBondContact O-N 2.73Å; Y188-F192 HydrophobicContact CD2-CB 4.44Å; Y188-F192 AromaticContact CD2-CD2 3.43Å; Y188-F192 HydrophobicContact CD2-CD2 3.43Å; Y188-F192 VanDerWaalsContact CD2-CD2 3.43Å; Y188-F192 AromaticContact CD2-CE2 3.97Å; Y188-F192 HydrophobicContact CD2-CE2 3.97Å; Y188-F192 HydrophobicContact CD2-CG 4.17Å; Y188-F192 HydrophobicContact CE2-CB 4.16Å; Y188-F192 AromaticContact CE2-CD2 3.72Å; Y188-F192 HydrophobicContact CE2-CD2 3.72Å; Y188-F192 HydrophobicContact CE2-CE2 4.34Å; Y188-F192 HydrophobicContact CE2-CG 4.03Å; Y188-F192 HydrophobicContact CG-CD2 4.39Å; Y188-F192 WeakPolarHBondContact O-CB 3.22Å; Y188-F192 WeakPolarHBondContact O-CD2 3.47Å; Y188-F192 PolarHBondContact O-N 3.37Å; Y188-W193 AromaticContact CE1-CD1 3.83Å; Y188-W193 AromaticContact CE1-NE1 3.81Å; Y188-W193 AromaticContact CZ-CD1 3.88Å; Y188-W193 AromaticContact CZ-NE1 3.46Å; Y188-W193 PolarHBondContact OH-NE1 2.92Å; Y188-W193 VanDerWaalsContact OH-NE1 3.09Å
189	L	93.1	Very high	90	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-62.3	-46.3	176.1	-65.8	176.2	0	0	0	111.4	I72 F185 K186 N191 W193 A199 H200 C203	I72-L189 HydrophobicContact CD1-CD1 4.46Å; I72-L189 HydrophobicContact CG2-CD1 4.21Å; I72-L189 HydrophobicContact CG2-CD2 4.12Å; F185-L189 HydrophobicContact CD1-CD1 4.44Å; F185-L189 HydrophobicContact CE1-CD1 4.1Å; F185-L189 HydrophobicContact CZ-CD2 4.49Å; F185-L189 PolarHBondContact O-N 3.05Å; K186-L189 PolarHBondContact O-N 3.43Å; K186-L189 VanDerWaalsContact O-N 3.11Å; L189-N191 VanDerWaalsContact C-N 3.31Å; L189-N191 PolarHBondContact O-N 2.77Å; L189-W193 CarbonylContact O-C 3.28Å; L189-W193 VanDerWaalsContact O-CA 3.28Å; L189-W193 WeakPolarHBondContact O-CA 3.47Å; L189-W193 PolarHBondContact O-N 2.68Å; L189-A199 HydrophobicContact CD2-CB 4.33Å; L189-H200 PolarHBondContact O-CE1 3.34Å; L189-H200 PolarHBondContact O-NE2 3.34Å; L189-C203 HydrophobicContact CD1-CB 3.76Å
190	D	92.8	Very high	90.4	Very high	67 Å²	67	55.5 Å²	55.5	36%	0.358	28%	0.284	S	S	.	.	H	α-helix	trans	-61.5	-39.1	-178.9	-67.1	-28.9	0	0	0	112	K186 H200	K186-D190 PolarHBondContact O-N 2.82Å; D190-H200 PolarHBondContact N-NE2 3.27Å; D190-H200 IonicContact OD1-CD2 3.68Å; D190-H200 PolarHBondContact OD1-CD2 2.97Å; D190-H200 VanDerWaalsContact OD1-CD2 3.29Å; D190-H200 IonicContact OD1-NE2 2.72Å; D190-H200 PolarHBondContact OD1-NE2 3.3Å
191	N	91.4	Very high	90.1	Very high	110 Å²	110	59.5 Å²	59.5	59%	0.588	30%	0.302	S	S	*	.	H	α-helix	trans	-83.7	-43	-174.7	-70.6	-24.6	0	0	0	113.6	N187 Y188 L189	N187-N191 VanDerWaalsContact O-CB 3.22Å; N187-N191 WeakPolarHBondContact O-CB 3.45Å; N187-N191 PolarHBondContact O-N 3.34Å; N187-N191 PolarHBondContact O-ND2 3.08Å; N187-N191 VanDerWaalsContact O-ND2 3.1Å; Y188-N191 PolarHBondContact O-N 2.73Å; L189-N191 VanDerWaalsContact C-N 3.31Å; L189-N191 PolarHBondContact O-N 2.77Å
192	F	90.1	Very high	89.8	Confident	81 Å²	81	54 Å²	54	36%	0.355	28%	0.278	S	S	.	.	H	α-helix	trans	-101.7	-21.3	-171.4	-67.1	-85	0	0	0	113.1	H57 V161 I183 Y188 P194	H57-F192 AromaticContact CE1-CD1 3.45Å; H57-F192 VanDerWaalsContact CE1-CD1 3.45Å; H57-F192 WeakPolarHBondContact CE1-CD1 3.47Å; H57-F192 AromaticContact CE1-CE1 3.95Å; H57-F192 AromaticContact CE1-CG 3.92Å; H57-F192 AromaticContact ND1-CD1 3.81Å; H57-F192 AromaticContact ND1-CE1 3.93Å; V161-F192 HydrophobicContact CG1-CE2 4.3Å; V161-F192 HydrophobicContact CG2-CE2 4.16Å; V161-F192 HydrophobicContact CG2-CZ 3.84Å; I183-F192 HydrophobicContact CD1-CE2 4.02Å; Y188-F192 HydrophobicContact CD2-CB 4.44Å; Y188-F192 AromaticContact CD2-CD2 3.43Å; Y188-F192 HydrophobicContact CD2-CD2 3.43Å; Y188-F192 VanDerWaalsContact CD2-CD2 3.43Å; Y188-F192 AromaticContact CD2-CE2 3.97Å; Y188-F192 HydrophobicContact CD2-CE2 3.97Å; Y188-F192 HydrophobicContact CD2-CG 4.17Å; Y188-F192 HydrophobicContact CE2-CB 4.16Å; Y188-F192 AromaticContact CE2-CD2 3.72Å; Y188-F192 HydrophobicContact CE2-CD2 3.72Å; Y188-F192 HydrophobicContact CE2-CE2 4.34Å; Y188-F192 HydrophobicContact CE2-CG 4.03Å; Y188-F192 HydrophobicContact CG-CD2 4.39Å; Y188-F192 WeakPolarHBondContact O-CB 3.22Å; Y188-F192 WeakPolarHBondContact O-CD2 3.47Å; Y188-F192 PolarHBondContact O-N 3.37Å; F192-P194 VanDerWaalsContact C-CD 3.48Å
193	W	91.2	Very high	89.6	Confident	69 Å²	69	53.9 Å²	53.9	26%	0.261	28%	0.277	S	S	.	.			trans	-134.3	38.7	-172.2	-58.1	101.2	0	0	0	114.1	E77 L78 Y188 L189 D195 L196 H200	E77-W193 WeakPolarHBondContact O-CH2 3.15Å; L78-W193 HydrophobicContact CD2-CD2 3.75Å; L78-W193 VanDerWaalsContact CD2-CE2 3.46Å; L78-W193 HydrophobicContact CD2-CG 3.81Å; L78-W193 HydrophobicContact CD2-CZ2 4.04Å; L78-W193 VanDerWaalsContact CD2-NE1 3.33Å; Y188-W193 AromaticContact CE1-CD1 3.83Å; Y188-W193 AromaticContact CE1-NE1 3.81Å; Y188-W193 AromaticContact CZ-CD1 3.88Å; Y188-W193 AromaticContact CZ-NE1 3.46Å; Y188-W193 PolarHBondContact OH-NE1 2.92Å; Y188-W193 VanDerWaalsContact OH-NE1 3.09Å; L189-W193 CarbonylContact O-C 3.28Å; L189-W193 VanDerWaalsContact O-CA 3.28Å; L189-W193 WeakPolarHBondContact O-CA 3.47Å; L189-W193 PolarHBondContact O-N 2.68Å; W193-D195 PolarHBondContact O-N 3.04Å; W193-L196 HydrophobicContact CB-CB 4.13Å; W193-L196 WeakPolarHBondContact O-CB 3.15Å; W193-L196 PolarHBondContact O-N 2.8Å; W193-H200 PolarHBondContact O-CE1 3.47Å
194	P	89.3	Confident	89.2	Confident	76 Å²	76	55.9 Å²	55.9	49%	0.494	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.6	-171.1	25.7	-36.1	0	0	0	114	F192 L196	F192-P194 VanDerWaalsContact C-CD 3.48Å; P194-L196 VanDerWaalsContact C-N 3.34Å
195	D	88.9	Confident	88.6	Confident	150 Å²	150	55.1 Å²	55.1	80%	0.802	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-13.2	179.4	-62.8	-47	0	0	0	113.4	W193 K197	W193-D195 PolarHBondContact O-N 3.04Å; D195-K197 PolarHBondContact O-N 3.18Å
196	L	88.6	Confident	88.2	Confident	26 Å²	26	55.6 Å²	55.6	14%	0.136	29%	0.286	C	S	.	.			trans	-81.9	67.5	-178.9	-165.6	64.2	0	0	0	111	F75 E77 L78 W193 P194 A198 A199 H200	F75-L196 HydrophobicContact CD1-CD1 4.46Å; E77-L196 HydrophobicContact CB-CD1 4.35Å; E77-L196 HydrophobicContact CB-CD2 4.35Å; E77-L196 HydrophobicContact CG-CD1 4.05Å; L78-L196 HydrophobicContact CD2-CD2 4.49Å; W193-L196 HydrophobicContact CB-CB 4.13Å; W193-L196 WeakPolarHBondContact O-CB 3.15Å; W193-L196 PolarHBondContact O-N 2.8Å; P194-L196 VanDerWaalsContact C-N 3.34Å; L196-A198 VanDerWaalsContact C-N 3.29Å; L196-A198 PolarHBondContact O-N 3.2Å; L196-A199 HydrophobicContact CB-CB 4.35Å; L196-A199 HydrophobicContact CD2-CB 3.56Å; L196-A199 HydrophobicContact CG-CB 3.67Å; L196-A199 PolarHBondContact O-N 3.3Å; L196-A199 VanDerWaalsContact O-N 3.09Å; L196-H200 PolarHBondContact O-N 3.42Å; L196-H200 PolarHBondContact O-ND1 3.21Å
197	K	85.3	Confident	87.9	Confident	155 Å²	155	53.3 Å²	53.3	67%	0.674	28%	0.277	S	S	*	.	H	α-helix	trans	-54.3	-41.1	-174.3	-65.8	-177.5	-178.7	179	0	113.7	D195 A199 H200 E201	D195-K197 PolarHBondContact O-N 3.18Å; K197-A199 VanDerWaalsContact C-N 3.3Å; K197-A199 PolarHBondContact O-N 3.16Å; K197-H200 WeakPolarHBondContact O-CB 3.33Å; K197-H200 PolarHBondContact O-N 3.4Å; K197-H200 VanDerWaalsContact O-N 3.14Å; K197-E201 WeakPolarHBondContact O-CG 3.36Å; K197-E201 PolarHBondContact O-N 3.19Å
198	A	81.7	Confident	87.3	Confident	51 Å²	51	51.7 Å²	51.7	42%	0.421	27%	0.267	S	S	.	.	H	α-helix	trans	-60.9	-38	179.8	0	0	0	0	0	112.6	F75 L196 L202	F75-A198 HydrophobicContact CE1-CB 4.04Å; F75-A198 HydrophobicContact CZ-CB 4.18Å; L196-A198 VanDerWaalsContact C-N 3.29Å; L196-A198 PolarHBondContact O-N 3.2Å; A198-L202 WeakPolarHBondContact O-CB 3.34Å; A198-L202 PolarHBondContact O-N 3.41Å; A198-L202 VanDerWaalsContact O-N 3.15Å
199	A	86.9	Confident	86.6	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-69.3	-37.3	176.3	0	0	0	0	0	111.9	I72 L189 L196 K197 C203	I72-A199 HydrophobicContact CG2-CB 4Å; L189-A199 HydrophobicContact CD2-CB 4.33Å; L196-A199 HydrophobicContact CB-CB 4.35Å; L196-A199 HydrophobicContact CD2-CB 3.56Å; L196-A199 HydrophobicContact CG-CB 3.67Å; L196-A199 PolarHBondContact O-N 3.3Å; L196-A199 VanDerWaalsContact O-N 3.09Å; K197-A199 VanDerWaalsContact C-N 3.3Å; K197-A199 PolarHBondContact O-N 3.16Å; A199-C203 VanDerWaalsContact O-CB 3.3Å; A199-C203 WeakPolarHBondContact O-CB 3.2Å; A199-C203 PolarHBondContact O-N 2.99Å
200	H	87.1	Confident	85.8	Confident	33 Å²	33	54 Å²	54	15%	0.153	28%	0.277	C	S	.	.	H	α-helix	trans	-65.7	-48.5	176.9	-71.5	74.8	0	0	0	111.7	L189 D190 W193 L196 K197 L202 C203 D204	L189-H200 PolarHBondContact O-CE1 3.34Å; L189-H200 PolarHBondContact O-NE2 3.34Å; D190-H200 PolarHBondContact N-NE2 3.27Å; D190-H200 IonicContact OD1-CD2 3.68Å; D190-H200 PolarHBondContact OD1-CD2 2.97Å; D190-H200 VanDerWaalsContact OD1-CD2 3.29Å; D190-H200 IonicContact OD1-NE2 2.72Å; D190-H200 PolarHBondContact OD1-NE2 3.3Å; W193-H200 PolarHBondContact O-CE1 3.47Å; L196-H200 PolarHBondContact O-N 3.42Å; L196-H200 PolarHBondContact O-ND1 3.21Å; K197-H200 WeakPolarHBondContact O-CB 3.33Å; K197-H200 PolarHBondContact O-N 3.4Å; K197-H200 VanDerWaalsContact O-N 3.14Å; H200-L202 VanDerWaalsContact C-N 3.29Å; H200-L202 PolarHBondContact O-N 3.01Å; H200-C203 PolarHBondContact O-N 3.16Å; H200-D204 PolarHBondContact O-N 3.06Å
201	E	83.3	Confident	85.1	Confident	89 Å²	89	58.4 Å²	58.4	42%	0.416	29%	0.288	S	S	.	.	H	α-helix	trans	-58	-42.9	177.4	-71.9	176.5	-178.6	0	0	111.6	K197 S205	K197-E201 WeakPolarHBondContact O-CG 3.36Å; K197-E201 PolarHBondContact O-N 3.19Å; E201-S205 WeakPolarHBondContact O-CB 3.3Å; E201-S205 PolarHBondContact O-N 3.47Å
202	L	84.6	Confident	84	Confident	7 Å²	7	53.8 Å²	53.8	4%	0.037	26%	0.263	C	S	.	.	H	α-helix	trans	-66.9	-43.3	176.4	-177.6	56.5	0	0	0	112	E71 I72 F75 A198 H200 D204 S205 I206 F410	E71-L202 HydrophobicContact CB-CD2 3.88Å; I72-L202 HydrophobicContact CD1-CB 4.43Å; I72-L202 HydrophobicContact CD1-CG 4.21Å; I72-L202 HydrophobicContact CG1-CB 4.38Å; I72-L202 HydrophobicContact CG1-CD2 3.73Å; I72-L202 HydrophobicContact CG1-CG 3.96Å; F75-L202 HydrophobicContact CE2-CD2 4.25Å; A198-L202 WeakPolarHBondContact O-CB 3.34Å; A198-L202 PolarHBondContact O-N 3.41Å; A198-L202 VanDerWaalsContact O-N 3.15Å; H200-L202 VanDerWaalsContact C-N 3.29Å; H200-L202 PolarHBondContact O-N 3.01Å; L202-D204 PolarHBondContact O-N 2.99Å; L202-S205 PolarHBondContact O-N 3.23Å; L202-I206 HydrophobicContact CD1-CD1 4.04Å; L202-I206 HydrophobicContact CD1-CG1 4.25Å; L202-I206 HydrophobicContact CG-CD1 3.95Å; L202-I206 VanDerWaalsContact O-CG1 3.32Å; L202-I206 WeakPolarHBondContact O-CG1 3.28Å; L202-I206 PolarHBondContact O-N 3.02Å; L202-F410 WeakPolarHBondContact CD1-O 3.27Å
203	C	87.8	Confident	83	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.014	26%	0.26	C	S	.	.	H	α-helix	trans	-59.8	-47.4	178.4	-169.2	0	0	0	0	111.4	I72 L189 A199 H200 S205 I206 L207	I72-C203 HydrophobicContact CD1-CB 3.68Å; L189-C203 HydrophobicContact CD1-CB 3.76Å; A199-C203 VanDerWaalsContact O-CB 3.3Å; A199-C203 WeakPolarHBondContact O-CB 3.2Å; A199-C203 PolarHBondContact O-N 2.99Å; H200-C203 PolarHBondContact O-N 3.16Å; C203-S205 VanDerWaalsContact C-N 3.33Å; C203-S205 PolarHBondContact O-N 2.96Å; C203-I206 PolarHBondContact O-N 3.4Å; C203-L207 WeakPolarHBondContact O-CB 3.41Å; C203-L207 VanDerWaalsContact O-CG 3.32Å; C203-L207 WeakPolarHBondContact O-CG 3.39Å; C203-L207 PolarHBondContact O-N 2.91Å
204	D	85.8	Confident	82	Confident	75 Å²	75	55.3 Å²	55.3	40%	0.401	27%	0.271	S	S	.	.	H	α-helix	trans	-63.5	-39	178.2	-77.8	-23	0	0	0	111.7	K186 H200 L202 L207 Q208	K186-D204 IonicContact NZ-OD1 3.19Å; K186-D204 PolarHBondContact NZ-OD1 3.28Å; H200-D204 PolarHBondContact O-N 3.06Å; L202-D204 PolarHBondContact O-N 2.99Å; D204-L207 PolarHBondContact O-N 2.99Å; D204-Q208 WeakPolarHBondContact O-CB 3.29Å; D204-Q208 PolarHBondContact O-N 3.36Å
205	S	82.5	Confident	81	Confident	13 Å²	13	56 Å²	56	9%	0.091	27%	0.271	C	S	.	.	H	α-helix	trans	-64.9	-43.6	176.3	-164.7	0	0	0	0	112.5	E201 L202 C203 Q208 S209 H409 F410	E201-S205 WeakPolarHBondContact O-CB 3.3Å; E201-S205 PolarHBondContact O-N 3.47Å; L202-S205 PolarHBondContact O-N 3.23Å; C203-S205 VanDerWaalsContact C-N 3.33Å; C203-S205 PolarHBondContact O-N 2.96Å; S205-Q208 PolarHBondContact O-N 3.41Å; S205-S209 PolarHBondContact O-N 3.1Å; S205-H409 WeakPolarHBondContact OG-CB 3.47Å; S205-F410 PolarHBondContact OG-N 3.09Å
206	I	84.3	Confident	79.7	Confident	9 Å²	9	50.3 Å²	50.3	5%	0.046	24%	0.239	C	C	.	.	H	α-helix	trans	-63.1	-45.8	176.2	-67.6	166.7	0	0	0	110.6	Y69 I72 L202 C203 Q208 S209 R210	Y69-I206 HydrophobicContact CD1-CD1 4.02Å; Y69-I206 HydrophobicContact CD1-CG2 4.1Å; Y69-I206 HydrophobicContact CE1-CB 4.12Å; Y69-I206 HydrophobicContact CE1-CD1 4.47Å; Y69-I206 HydrophobicContact CE1-CG2 3.63Å; I72-I206 HydrophobicContact CD1-CD1 4.25Å; L202-I206 HydrophobicContact CD1-CD1 4.04Å; L202-I206 HydrophobicContact CD1-CG1 4.25Å; L202-I206 HydrophobicContact CG-CD1 3.95Å; L202-I206 VanDerWaalsContact O-CG1 3.32Å; L202-I206 WeakPolarHBondContact O-CG1 3.28Å; L202-I206 PolarHBondContact O-N 3.02Å; C203-I206 PolarHBondContact O-N 3.4Å; I206-Q208 VanDerWaalsContact C-N 3.33Å; I206-Q208 PolarHBondContact O-N 3.49Å; I206-S209 PolarHBondContact O-N 2.99Å; I206-R210 WeakPolarHBondContact O-CG 3.31Å; I206-R210 PolarHBondContact O-N 3.15Å
207	L	85	Confident	78.4	Confident	25 Å²	25	53.5 Å²	53.5	13%	0.131	26%	0.264	C	S	.	.	H	α-helix	trans	-60.6	-42.2	178.4	-76.2	170.4	0	0	0	111.8	Y69 K186 C203 D204 R210 R211	Y69-L207 WeakPolarHBondContact OH-CD2 3.36Å; K186-L207 HydrophobicContact CB-CD1 4.43Å; K186-L207 HydrophobicContact CD-CD1 3.88Å; C203-L207 WeakPolarHBondContact O-CB 3.41Å; C203-L207 VanDerWaalsContact O-CG 3.32Å; C203-L207 WeakPolarHBondContact O-CG 3.39Å; C203-L207 PolarHBondContact O-N 2.91Å; D204-L207 PolarHBondContact O-N 2.99Å; L207-R210 PolarHBondContact O-N 3.11Å; L207-R211 WeakPolarHBondContact O-CG 3.23Å; L207-R211 PolarHBondContact O-N 3.48Å; L207-R211 VanDerWaalsContact O-N 3.13Å
208	Q	80.1	Confident	77	Confident	44 Å²	44	53.3 Å²	53.3	21%	0.206	27%	0.265	C	S	.	.	H	α-helix	trans	-64.1	-48.2	177.3	-172.2	66.3	24	0	0	111.6	D204 S205 I206 R210 R211 E212	D204-Q208 WeakPolarHBondContact O-CB 3.29Å; D204-Q208 PolarHBondContact O-N 3.36Å; S205-Q208 PolarHBondContact O-N 3.41Å; I206-Q208 VanDerWaalsContact C-N 3.33Å; I206-Q208 PolarHBondContact O-N 3.49Å; Q208-R210 VanDerWaalsContact C-N 3.26Å; Q208-R210 PolarHBondContact O-N 2.91Å; Q208-R211 PolarHBondContact O-N 2.87Å; Q208-E212 PolarHBondContact NE2-OE1 3.31Å; Q208-E212 PolarHBondContact O-N 2.6Å
209	S	78	Confident	75.8	Confident	10 Å²	10	58.4 Å²	58.4	7%	0.07	28%	0.28	C	S	.	.	H	α-helix	trans	-55.4	-41.7	176.6	174.9	0	0	0	0	111.7	S205 I206 R213 D397	S205-S209 PolarHBondContact O-N 3.1Å; I206-S209 PolarHBondContact O-N 2.99Å; S209-R213 PolarHBondContact O-N 3.46Å; S209-R213 VanDerWaalsContact O-N 3.14Å; S209-D397 PolarHBondContact OG-OD2 2.88Å
210	R	77.9	Confident	74	Confident	43 Å²	43	60.9 Å²	60.9	16%	0.162	30%	0.298	C	S	.	.	H	α-helix	trans	-66	-50.2	179.3	-74.9	179.8	62.5	-156.1	-9.3	113.4	D68 Y69 E165 I206 L207 Q208 E212 R213 E214	D68-R210 IonicContact OD2-CZ 3.74Å; D68-R210 IonicContact OD2-NE 3.22Å; D68-R210 IonicContact OD2-NH1 2.76Å; Y69-R210 PolarHBondContact OH-NH1 3.23Å; Y69-R210 VanDerWaalsContact OH-NH1 3.11Å; E165-R210 IonicContact OE2-NH1 3.25Å; I206-R210 WeakPolarHBondContact O-CG 3.31Å; I206-R210 PolarHBondContact O-N 3.15Å; L207-R210 PolarHBondContact O-N 3.11Å; Q208-R210 VanDerWaalsContact C-N 3.26Å; Q208-R210 PolarHBondContact O-N 2.91Å; R210-E212 PolarHBondContact O-N 2.88Å; R210-R213 WeakPolarHBondContact O-CB 3.3Å; R210-R213 PolarHBondContact O-N 2.98Å; R210-R213 VanDerWaalsContact O-N 3.16Å; R210-E214 PolarHBondContact O-N 3.12Å
211	R	77.3	Confident	72.2	Confident	159 Å²	159	68.7 Å²	68.7	60%	0.6	33%	0.334	S	S	*	.	H	α-helix	trans	-56.1	-37.8	179.8	-72.5	176.6	-173.9	-171.5	1.1	111.6	L207 Q208 N215	L207-R211 WeakPolarHBondContact O-CG 3.23Å; L207-R211 PolarHBondContact O-N 3.48Å; L207-R211 VanDerWaalsContact O-N 3.13Å; Q208-R211 PolarHBondContact O-N 2.87Å; R211-N215 PolarHBondContact O-N 2.86Å
212	E	69.3	Low	71	Confident	13 Å²	13	66.9 Å²	66.9	6%	0.061	34%	0.339	C	S	.	.	H	α-helix	trans	-76.3	-33.9	-178.8	-68.6	-176.8	-161.7	0	0	113.5	Q208 R210 E214 N215 E216 K364 S380	Q208-E212 PolarHBondContact NE2-OE1 3.31Å; Q208-E212 PolarHBondContact O-N 2.6Å; R210-E212 PolarHBondContact O-N 2.88Å; E212-E214 VanDerWaalsContact C-N 3.29Å; E212-E214 PolarHBondContact O-N 2.95Å; E212-N215 PolarHBondContact O-N 3.31Å; E212-E216 WeakPolarHBondContact O-CG 3.48Å; E212-E216 PolarHBondContact O-N 2.76Å; E212-K364 WeakPolarHBondContact OE2-CE 3.33Å; E212-K364 VanDerWaalsContact OE2-CG 3.26Å; E212-K364 WeakPolarHBondContact OE2-CG 3.49Å; E212-S380 VanDerWaalsContact CD-CB 3.46Å; E212-S380 WeakPolarHBondContact OE1-CB 3.45Å; E212-S380 PolarHBondContact OE1-OG 3.09Å; E212-S380 VanDerWaalsContact OE2-CB 3.3Å; E212-S380 WeakPolarHBondContact OE2-CB 3.37Å; E212-S380 PolarHBondContact OE2-OG 3.24Å
213	R	68.1	Low	69.9	Low	73 Å²	73	73 Å²	73	28%	0.275	37%	0.365	S	S	.	.	H	α-helix	trans	-58.9	-43.3	171.3	-176.9	-172.7	-67	156	6.5	111.3	S209 R210 N215 E216 S217 S398 E400	S209-R213 PolarHBondContact O-N 3.46Å; S209-R213 VanDerWaalsContact O-N 3.14Å; R210-R213 WeakPolarHBondContact O-CB 3.3Å; R210-R213 PolarHBondContact O-N 2.98Å; R210-R213 VanDerWaalsContact O-N 3.16Å; R213-N215 VanDerWaalsContact C-N 3.33Å; R213-N215 PolarHBondContact O-N 3.05Å; R213-E216 PolarHBondContact O-N 3.3Å; R213-S217 PolarHBondContact O-N 3.09Å; R213-S398 PolarHBondContact NE-OG 3.15Å; R213-S398 VanDerWaalsContact NE-OG 3.08Å; R213-S398 PolarHBondContact NH2-OG 3.43Å; R213-E400 IonicContact NE-OE1 3.81Å
214	E	69.9	Low	69.7	Low	108 Å²	108	76.5 Å²	76.5	51%	0.505	38%	0.381	S	S	.	.	H	α-helix	trans	-61.9	-42.8	178.5	-70.6	173.3	-178.6	0	0	110.9	R210 E212 S217	R210-E214 PolarHBondContact O-N 3.12Å; E212-E214 VanDerWaalsContact C-N 3.29Å; E212-E214 PolarHBondContact O-N 2.95Å; E214-S217 PolarHBondContact O-OG 3.22Å
215	N	68.6	Low	69.6	Low	90 Å²	90	73.4 Å²	73.4	48%	0.481	36%	0.364	S	S	.	.	H	α-helix	trans	-65.7	-44.3	176	-67	-16.1	0	0	0	113.1	R211 E212 R213 S217 Q218 E219	R211-N215 PolarHBondContact O-N 2.86Å; E212-N215 PolarHBondContact O-N 3.31Å; R213-N215 VanDerWaalsContact C-N 3.33Å; R213-N215 PolarHBondContact O-N 3.05Å; N215-S217 VanDerWaalsContact C-N 3.28Å; N215-S217 PolarHBondContact O-N 3.07Å; N215-Q218 PolarHBondContact O-N 3.21Å; N215-Q218 VanDerWaalsContact O-N 3.15Å; N215-E219 PolarHBondContact O-N 2.95Å
216	E	62.5	Low	69.8	Low	32 Å²	32	76.5 Å²	76.5	15%	0.15	38%	0.384	C	S	.	.	H	α-helix	trans	-62.5	-34.9	-179.7	-76.8	-174.1	175	0	0	112.7	E212 R213 Q218 E219 S220 K364 R378 N407	E212-E216 WeakPolarHBondContact O-CG 3.48Å; E212-E216 PolarHBondContact O-N 2.76Å; R213-E216 PolarHBondContact O-N 3.3Å; E216-Q218 PolarHBondContact O-N 3.14Å; E216-E219 PolarHBondContact O-N 2.88Å; E216-S220 PolarHBondContact O-N 3.1Å; E216-K364 VanDerWaalsContact CG-NZ 3.32Å; E216-K364 IonicContact OE1-NZ 3.01Å; E216-K364 PolarHBondContact OE1-NZ 3.34Å; E216-R378 IonicContact OE1-CZ 2.94Å; E216-R378 IonicContact OE1-NH1 3.74Å; E216-R378 PolarHBondContact OE1-NH1 2.85Å; E216-R378 IonicContact OE2-NH1 2.87Å; E216-R378 PolarHBondContact OE2-NH1 3Å; E216-N407 PolarHBondContact OE2-ND2 3.01Å; E216-N407 VanDerWaalsContact OE2-ND2 3.17Å
217	S	59.8	Low	69.9	Low	92 Å²	92	80.9 Å²	80.9	64%	0.643	40%	0.404	S	S	*	.	H	α-helix	trans	-63.4	-22.3	178.3	75.1	0	0	0	0	113.7	R213 E214 N215	R213-S217 PolarHBondContact O-N 3.09Å; E214-S217 PolarHBondContact O-OG 3.22Å; N215-S217 VanDerWaalsContact C-N 3.28Å; N215-S217 PolarHBondContact O-N 3.07Å
218	Q	57.6	Low	70.1	Confident	152 Å²	152	82.6 Å²	82.6	71%	0.71	41%	0.411	S	S	*	.	H	α-helix	trans	-93.1	-24.2	-177.8	-63.9	179.5	5.5	0	0	113	N215 E216	N215-Q218 PolarHBondContact O-N 3.21Å; N215-Q218 VanDerWaalsContact O-N 3.15Å; E216-Q218 PolarHBondContact O-N 3.14Å
219	E	55.5	Low	70.3	Confident	157 Å²	157	83.2 Å²	83.2	73%	0.734	42%	0.416	S	S	*	.	H	α-helix	trans	-101.5	-21.8	-170.5	-68.7	-176.3	162.2	0	0	115.1	N215 E216 H221	N215-E219 PolarHBondContact O-N 2.95Å; E216-E219 PolarHBondContact O-N 2.88Å; E219-H221 PolarHBondContact O-N 2.78Å
220	S	49.8	Very low	70.5	Confident	52 Å²	52	86.1 Å²	86.1	36%	0.364	44%	0.435	S	S	.	.			trans	-87.9	110.9	-171.5	81.1	0	0	0	0	114	E216 T402	E216-S220 PolarHBondContact O-N 3.1Å; S220-T402 VanDerWaalsContact OG-CB 3.26Å; S220-T402 WeakPolarHBondContact OG-CB 3.28Å; S220-T402 VanDerWaalsContact OG-CG2 3.26Å; S220-T402 WeakPolarHBondContact OG-CG2 3.47Å; S220-T402 PolarHBondContact OG-OG1 3.27Å
221	H	49.1	Very low	70.6	Confident	198 Å²	198	88.3 Å²	88.3	92%	0.917	45%	0.449	S	S	*	.			trans	-99.4	82.5	169.8	-71.4	-55.3	0	0	0	111.4	E219	E219-H221 PolarHBondContact O-N 2.78Å
222	G	58.4	Low	70.6	Confident	51 Å²	51	86.1 Å²	86.1	53%	0.526	45%	0.446	S	S	.	.	S	Bend	trans	153.5	132.8	171.7	0	0	0	0	0	112.9	T402	G222-T402 WeakPolarHBondContact O-CG2 3.46Å
223	K	61.2	Low	71.1	Confident	135 Å²	135	88.7 Å²	88.7	59%	0.587	46%	0.462	S	S	*	.			trans	-92.6	122.3	177.6	-60.8	-170.2	-177.6	-159.4	0	110.4	E227 T402	K223-E227 HydrophobicContact CD-CG 4.45Å; K223-E227 IonicContact NZ-OE1 2.66Å; K223-E227 PolarHBondContact NZ-OE1 3.39Å; K223-T402 HydrophobicContact CG-CG2 4.42Å
224	E	82.4	Confident	71.9	Confident	75 Å²	75	85.4 Å²	85.4	35%	0.35	45%	0.45	S	S	.	.	S	Bend	trans	-76.9	-31.2	175.4	-173.3	56.6	-142.6	0	0	111.9	K283 S401 V404	E224-K283 WeakPolarHBondContact OE1-CE 3.34Å; E224-K283 IonicContact OE1-NZ 2.77Å; E224-K283 PolarHBondContact OE1-NZ 3.45Å; E224-S401 PolarHBondContact N-O 3.44Å; E224-V404 HydrophobicContact CG-CG2 3.9Å
225	Y	85.4	Confident	72.6	Confident	11 Å²	11	83.8 Å²	83.8	4%	0.043	44%	0.442	C	S	.	.	S	Bend	trans	-126.8	150.3	-178.2	-66.9	-81.5	0	0	0	111.9	M282 R287 W399 S401 S403	Y225-M282 WeakPolarHBondContact CE1-O 3.24Å; Y225-R287 HydrophobicContact CD1-CG 4.12Å; Y225-R287 HydrophobicContact CD2-CG 3.67Å; Y225-R287 HydrophobicContact CE1-CG 4.5Å; Y225-R287 HydrophobicContact CE2-CG 4.07Å; Y225-R287 HydrophobicContact CG-CG 3.7Å; Y225-W399 HydrophobicContact CE2-CZ2 4.34Å; Y225-W399 AromaticContact CE2-NE1 3.94Å; Y225-S401 PolarHBondContact N-O 3.2Å; Y225-S403 VanDerWaalsContact CE2-O 3.28Å; Y225-S403 WeakPolarHBondContact CE2-O 3.49Å
226	P	84.9	Confident	73.1	Confident	78 Å²	78	81.4 Å²	81.4	51%	0.506	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-68	146.8	174	27	-30.9	0	0	0	111.5	N286 R287	P226-N286 PolarHBondContact O-OD1 3.22Å; P226-N286 VanDerWaalsContact O-OD1 3.07Å; P226-R287 PolarHBondContact O-NH1 2.91Å; P226-R287 PolarHBondContact O-NH2 3Å; P226-R287 VanDerWaalsContact O-NH2 3.11Å
227	E	87.2	Confident	74	Confident	101 Å²	101	80.1 Å²	80.1	47%	0.472	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-63	147	174.5	-68	-60.1	162.6	0	0	111.2	K223 S401	K223-E227 HydrophobicContact CD-CG 4.45Å; K223-E227 IonicContact NZ-OE1 2.66Å; K223-E227 PolarHBondContact NZ-OE1 3.39Å; E227-S401 VanDerWaalsContact OE1-CB 3.32Å; E227-S401 WeakPolarHBondContact OE1-CB 3.47Å; E227-S401 PolarHBondContact OE1-OG 3.05Å
228	H	89.7	Confident	75.2	Confident	60 Å²	60	78 Å²	78	28%	0.278	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-72.8	140.4	172.1	-64.6	145.3	0	0	0	109.7	N286 R287 V335 I337	H228-N286 PolarHBondContact CD2-ND2 3.39Å; H228-N286 VanDerWaalsContact CD2-ND2 3.34Å; H228-N286 PolarHBondContact NE2-O 2.76Å; H228-R287 PolarHBondContact CD2-NH2 3.34Å; H228-R287 VanDerWaalsContact CD2-NH2 3.31Å; H228-R287 PolarHBondContact CE1-NH2 3.23Å; H228-R287 VanDerWaalsContact CG-NH2 3.31Å; H228-R287 PolarHBondContact ND1-NH2 2.9Å; H228-R287 PolarHBondContact NE2-NH2 2.9Å; H228-V335 WeakPolarHBondContact CA-O 3.42Å; H228-I337 VanDerWaalsContact CE1-CD1 3.5Å; H228-I337 WeakPolarHBondContact CE1-CD1 3.46Å
229	L	84.6	Confident	76.5	Confident	58 Å²	58	78.1 Å²	78.1	30%	0.304	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-66.3	147.8	176.5	-62.7	175.6	0	0	0	110.6	V233 L234 Y243 V335	L229-V233 HydrophobicContact CB-CB 4.44Å; L229-V233 HydrophobicContact CB-CG1 4.42Å; L229-V233 HydrophobicContact CD1-CG1 4.17Å; L229-L234 HydrophobicContact CB-CD2 3.77Å; L229-L234 HydrophobicContact CB-CG 4.07Å; L229-L234 HydrophobicContact CD1-CD2 4.16Å; L229-L234 HydrophobicContact CG-CD2 4.47Å; L229-Y243 HydrophobicContact CD1-CE2 3.84Å; L229-Y243 WeakPolarHBondContact CD1-OH 3.32Å; L229-V335 HydrophobicContact CD1-CB 3.97Å; L229-V335 HydrophobicContact CD1-CG2 4.18Å; L229-V335 HydrophobicContact CG-CB 4.4Å; L229-V335 PolarHBondContact N-O 3.21Å
230	P	81.5	Confident	77.8	Confident	71 Å²	71	74.8 Å²	74.8	46%	0.461	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-56.5	147.6	172.8	-23.1	33.1	0	0	0	111.7	E232 V233 L234	P230-E232 WeakPolarHBondContact CB-OE2 3.25Å; P230-E232 PolarHBondContact O-N 2.85Å; P230-E232 VanDerWaalsContact O-N 3.16Å; P230-V233 HydrophobicContact CB-CG2 4.28Å; P230-V233 HydrophobicContact CG-CG2 4.31Å; P230-V233 WeakPolarHBondContact O-CB 3.29Å; P230-V233 PolarHBondContact O-N 3.01Å; P230-L234 PolarHBondContact O-N 2.92Å; P230-L234 VanDerWaalsContact O-N 3.08Å
231	L	79.4	Confident	79.3	Confident	89 Å²	89	75.1 Å²	75.1	47%	0.466	42%	0.416	S	S	.	.	H	α-helix	trans	-55.8	-37.2	-176.3	-176.8	64.5	0	0	0	112.1	V233 L234 E235 L338	L231-V233 VanDerWaalsContact C-N 3.3Å; L231-V233 PolarHBondContact O-N 3.37Å; L231-L234 PolarHBondContact O-N 3.37Å; L231-E235 HydrophobicContact CD1-CG 4.44Å; L231-E235 HydrophobicContact CG-CG 4.45Å; L231-E235 WeakPolarHBondContact O-CG 3.49Å; L231-E235 PolarHBondContact O-N 3.48Å; L231-L338 HydrophobicContact CD1-CD2 3.58Å
232	E	77.8	Confident	81.1	Confident	113 Å²	113	73 Å²	73	53%	0.528	40%	0.4	S	S	.	.	H	α-helix	trans	-64.2	-36.7	179.2	-55.1	82.7	-179.7	0	0	112	P230 A236	P230-E232 WeakPolarHBondContact CB-OE2 3.25Å; P230-E232 PolarHBondContact O-N 2.85Å; P230-E232 VanDerWaalsContact O-N 3.16Å; E232-A236 VanDerWaalsContact O-CB 3.29Å; E232-A236 WeakPolarHBondContact O-CB 3.49Å; E232-A236 PolarHBondContact O-N 2.86Å
233	V	80.1	Confident	82.6	Confident	66 Å²	66	71.5 Å²	71.5	40%	0.4	38%	0.378	S	S	.	.	H	α-helix	trans	-72.3	-39.9	177.6	-179.6	0	0	0	0	110.5	L229 P230 L231 A236 G237	L229-V233 HydrophobicContact CB-CB 4.44Å; L229-V233 HydrophobicContact CB-CG1 4.42Å; L229-V233 HydrophobicContact CD1-CG1 4.17Å; P230-V233 HydrophobicContact CB-CG2 4.28Å; P230-V233 HydrophobicContact CG-CG2 4.31Å; P230-V233 WeakPolarHBondContact O-CB 3.29Å; P230-V233 PolarHBondContact O-N 3.01Å; L231-V233 VanDerWaalsContact C-N 3.3Å; L231-V233 PolarHBondContact O-N 3.37Å; V233-A236 PolarHBondContact O-N 3.33Å; V233-G237 PolarHBondContact O-N 2.71Å
234	L	84.4	Confident	84	Confident	4 Å²	4	66.5 Å²	66.5	2%	0.021	36%	0.358	C	S	.	.	H	α-helix	trans	-61	-50.7	175.1	-64.9	177.4	0	0	0	110.7	L229 P230 L231 A236 G237 I238 V295 V335 L338	L229-L234 HydrophobicContact CB-CD2 3.77Å; L229-L234 HydrophobicContact CB-CG 4.07Å; L229-L234 HydrophobicContact CD1-CD2 4.16Å; L229-L234 HydrophobicContact CG-CD2 4.47Å; P230-L234 PolarHBondContact O-N 2.92Å; P230-L234 VanDerWaalsContact O-N 3.08Å; L231-L234 PolarHBondContact O-N 3.37Å; L234-A236 VanDerWaalsContact C-N 3.33Å; L234-A236 PolarHBondContact O-N 3.4Å; L234-G237 PolarHBondContact O-N 3.26Å; L234-I238 WeakPolarHBondContact O-CD1 3.44Å; L234-I238 VanDerWaalsContact O-CG1 3.22Å; L234-I238 WeakPolarHBondContact O-CG1 3.48Å; L234-I238 PolarHBondContact O-N 3.37Å; L234-V295 HydrophobicContact CB-CG2 4.33Å; L234-V295 HydrophobicContact CD1-CG2 4.24Å; L234-V295 HydrophobicContact CD2-CB 3.91Å; L234-V295 HydrophobicContact CD2-CG1 3.91Å; L234-V295 HydrophobicContact CD2-CG2 4.15Å; L234-V295 HydrophobicContact CG-CG2 4.49Å; L234-V335 HydrophobicContact CD2-CG2 3.91Å; L234-L338 HydrophobicContact CB-CD2 4.4Å; L234-L338 HydrophobicContact CD1-CD2 4.15Å
235	E	84.5	Confident	84.4	Confident	74 Å²	74	66.3 Å²	66.3	35%	0.346	36%	0.357	S	S	.	.	H	α-helix	trans	-61.6	-40	178.5	-73.6	-176.2	-170.4	0	0	112.4	F14 L231 K239	F14-E235 HydrophobicContact CE2-CB 3.8Å; F14-E235 VanDerWaalsContact CE2-OE2 3.29Å; F14-E235 WeakPolarHBondContact CE2-OE2 3.41Å; F14-E235 HydrophobicContact CZ-CB 3.73Å; L231-E235 HydrophobicContact CD1-CG 4.44Å; L231-E235 HydrophobicContact CG-CG 4.45Å; L231-E235 WeakPolarHBondContact O-CG 3.49Å; L231-E235 PolarHBondContact O-N 3.48Å; E235-K239 WeakPolarHBondContact O-CB 3.29Å; E235-K239 WeakPolarHBondContact O-CG 3.48Å; E235-K239 PolarHBondContact O-N 2.76Å
236	A	78.5	Confident	84.7	Confident	40 Å²	40	65.8 Å²	65.8	33%	0.331	36%	0.355	S	S	.	.	H	α-helix	trans	-65.9	-42.9	177.7	0	0	0	0	0	111.2	F14 E232 V233 L234 K239 S240	F14-A236 HydrophobicContact CE1-CB 3.76Å; F14-A236 HydrophobicContact CZ-CB 3.91Å; E232-A236 VanDerWaalsContact O-CB 3.29Å; E232-A236 WeakPolarHBondContact O-CB 3.49Å; E232-A236 PolarHBondContact O-N 2.86Å; V233-A236 PolarHBondContact O-N 3.33Å; L234-A236 VanDerWaalsContact C-N 3.33Å; L234-A236 PolarHBondContact O-N 3.4Å; A236-K239 PolarHBondContact O-N 2.96Å; A236-S240 WeakPolarHBondContact O-CB 3.11Å; A236-S240 PolarHBondContact O-N 2.77Å
237	G	83.1	Confident	85	Confident	6 Å²	6	65 Å²	65	6%	0.062	35%	0.346	C	S	.	.	H	α-helix	trans	-70	-32	178.4	0	0	0	0	0	113.7	V233 L234 S240 G241 R242 Y243	V233-G237 PolarHBondContact O-N 2.71Å; L234-G237 PolarHBondContact O-N 3.26Å; G237-S240 PolarHBondContact O-OG 3.45Å; G237-G241 PolarHBondContact O-N 3Å; G237-R242 PolarHBondContact O-N 3.14Å; G237-Y243 PolarHBondContact O-N 3.3Å
238	I	84.8	Confident	85.3	Confident	47 Å²	47	60.2 Å²	60.2	24%	0.241	32%	0.323	C	S	.	.	H	α-helix	trans	-66.1	-48.3	171.3	-67.8	162.4	0	0	0	109.8	L234 S240 G241 Q245 V295 L338	L234-I238 WeakPolarHBondContact O-CD1 3.44Å; L234-I238 VanDerWaalsContact O-CG1 3.22Å; L234-I238 WeakPolarHBondContact O-CG1 3.48Å; L234-I238 PolarHBondContact O-N 3.37Å; I238-S240 VanDerWaalsContact C-N 3.27Å; I238-S240 PolarHBondContact O-N 3.44Å; I238-G241 PolarHBondContact O-N 3.31Å; I238-Q245 HydrophobicContact CD1-CB 4.31Å; I238-V295 HydrophobicContact CD1-CG1 4.28Å; I238-V295 HydrophobicContact CD1-CG2 3.97Å; I238-V295 HydrophobicContact CG1-CG1 4.16Å; I238-L338 HydrophobicContact CD1-CD1 4.12Å
239	K	83.8	Confident	85.4	Confident	154 Å²	154	60.6 Å²	60.6	67%	0.67	33%	0.328	S	S	*	.	H	α-helix	trans	-62.6	-32.4	178.3	-74	172.8	-176	167.5	0	113.1	E235 A236 G241	E235-K239 WeakPolarHBondContact O-CB 3.29Å; E235-K239 WeakPolarHBondContact O-CG 3.48Å; E235-K239 PolarHBondContact O-N 2.76Å; A236-K239 PolarHBondContact O-N 2.96Å; K239-G241 VanDerWaalsContact C-N 3.27Å
240	S	83.6	Confident	85.8	Confident	87 Å²	87	58 Å²	58	61%	0.608	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-0.4	176.5	81.6	0	0	0	0	113.7	A236 G237 I238 R242	A236-S240 WeakPolarHBondContact O-CB 3.11Å; A236-S240 PolarHBondContact O-N 2.77Å; G237-S240 PolarHBondContact O-OG 3.45Å; I238-S240 VanDerWaalsContact C-N 3.27Å; I238-S240 PolarHBondContact O-N 3.44Å; S240-R242 PolarHBondContact O-N 3.1Å; S240-R242 WeakPolarHBondContact OG-CB 3.38Å
241	G	81.9	Confident	86	Confident	60 Å²	60	56.5 Å²	56.5	62%	0.619	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	6.3	-175.7	0	0	0	0	0	115.1	G237 I238 K239	G237-G241 PolarHBondContact O-N 3Å; I238-G241 PolarHBondContact O-N 3.31Å; K239-G241 VanDerWaalsContact C-N 3.27Å
242	R	85.8	Confident	86.1	Confident	153 Å²	153	56.7 Å²	56.7	58%	0.577	30%	0.299	S	S	*	.	S	Bend	trans	-72.9	-36.9	178.3	177.8	178.1	175	168.8	-0.4	111.6	G237 S240 E297	G237-R242 PolarHBondContact O-N 3.14Å; S240-R242 PolarHBondContact O-N 3.1Å; S240-R242 WeakPolarHBondContact OG-CB 3.38Å; R242-E297 IonicContact CZ-OE1 3.7Å; R242-E297 IonicContact NE-OE1 3.56Å; R242-E297 IonicContact NH2-OE1 2.94Å; R242-E297 PolarHBondContact NH2-OE1 3.28Å
243	Y	90.3	Very high	86.2	Confident	20 Å²	20	57.7 Å²	57.7	8%	0.078	30%	0.303	C	S	.	.	S	Bend	trans	-115.1	148.7	-179.8	-61.5	-39.3	0	0	0	111.3	L229 G237 V295 V296 E297 V335	L229-Y243 HydrophobicContact CD1-CE2 3.84Å; L229-Y243 WeakPolarHBondContact CD1-OH 3.32Å; G237-Y243 PolarHBondContact O-N 3.3Å; Y243-V295 VanDerWaalsContact CB-CG1 3.44Å; Y243-V295 HydrophobicContact CD2-CG1 4.25Å; Y243-V295 HydrophobicContact CG-CG1 3.97Å; Y243-V296 WeakPolarHBondContact CA-O 3.36Å; Y243-E297 HydrophobicContact CD1-CB 3.91Å; Y243-E297 HydrophobicContact CD1-CG 4.24Å; Y243-E297 HydrophobicContact CE1-CB 3.83Å; Y243-E297 HydrophobicContact CE1-CG 3.91Å; Y243-V335 HydrophobicContact CD1-CG2 4.18Å; Y243-V335 HydrophobicContact CE1-CG2 4.19Å; Y243-V335 HydrophobicContact CG-CG2 4.39Å
244	I	90.7	Very high	86.2	Confident	29 Å²	29	56.4 Å²	56.4	15%	0.149	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	130.1	-176.7	-58	176.8	0	0	0	108.9	L263 L273 I277 V295 V296 L298	I244-L263 HydrophobicContact CG2-CD2 3.2Å; I244-L273 HydrophobicContact CD1-CD1 3.68Å; I244-I277 HydrophobicContact CB-CD1 4.2Å; I244-I277 HydrophobicContact CD1-CD1 3.86Å; I244-I277 HydrophobicContact CG2-CD1 3.91Å; I244-V295 WeakPolarHBondContact O-CA 3.38Å; I244-V296 PolarHBondContact N-O 3.33Å; I244-V296 PolarHBondContact O-N 3.05Å; I244-L298 HydrophobicContact CD1-CD1 3.7Å; I244-L298 HydrophobicContact CD1-CD2 4.28Å; I244-L298 HydrophobicContact CD1-CG 3.88Å
245	Q	90.6	Very high	86.1	Confident	72 Å²	72	57 Å²	57	34%	0.336	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	140.2	175.4	173.1	179.9	-25.3	0	0	110.6	I238 V293 V294 L338	I238-Q245 HydrophobicContact CD1-CB 4.31Å; Q245-V293 HydrophobicContact CG-CG1 3.94Å; Q245-V294 WeakPolarHBondContact CA-O 3.44Å; Q245-L338 VanDerWaalsContact CD-CD1 3.5Å; Q245-L338 HydrophobicContact CG-CD1 3.86Å
246	G	90.5	Very high	86.1	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	179.3	171.3	0	0	0	0	0	113.5	R262 V293 V294	G246-R262 CarbonylContact C-O 3.56Å; G246-R262 WeakPolarHBondContact CA-O 3.48Å; G246-V293 WeakPolarHBondContact O-CA 3.39Å; G246-V294 PolarHBondContact N-O 3.35Å; G246-V294 PolarHBondContact O-N 2.99Å
247	I	92	Very high	86.3	Confident	62 Å²	62	59.5 Å²	59.5	32%	0.318	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	129.5	176.6	-54.7	176	0	0	0	109.3	N249 V261 R262 Q264 D292	I247-N249 PolarHBondContact O-N 2.99Å; I247-V261 WeakPolarHBondContact O-CA 3.32Å; I247-R262 PolarHBondContact N-O 3.3Å; I247-R262 PolarHBondContact O-N 3.37Å; I247-Q264 HydrophobicContact CD1-CG 4.14Å; I247-Q264 HydrophobicContact CG1-CG 4.04Å; I247-D292 WeakPolarHBondContact CA-O 3.44Å
248	L	94.1	Very high	86.6	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	119.2	176.1	-171.2	79.7	0	0	0	112	V250 A259 F260 V261 I279 R285 S288 I289 H290 G291 D292 V294	L248-V250 HydrophobicContact CD2-CG2 4.05Å; L248-V250 HydrophobicContact CG-CG2 4.38Å; L248-A259 HydrophobicContact CD1-CB 3.87Å; L248-A259 HydrophobicContact CG-CB 4.34Å; L248-F260 CarbonylContact C-O 3.49Å; L248-V261 HydrophobicContact CD1-CG2 3.64Å; L248-I279 HydrophobicContact CD1-CG1 4.16Å; L248-R285 HydrophobicContact CD2-CG 3.88Å; L248-S288 VanDerWaalsContact CD2-OG 3.3Å; L248-S288 WeakPolarHBondContact CD2-OG 3.27Å; L248-I289 WeakPolarHBondContact CD2-O 3.2Å; L248-H290 PolarHBondContact O-ND1 3.29Å; L248-G291 PolarHBondContact O-N 3.37Å; L248-D292 PolarHBondContact N-O 2.96Å; L248-V294 HydrophobicContact CB-CG1 4.24Å; L248-V294 HydrophobicContact CB-CG2 4.13Å
249	N	92.1	Very high	86.9	Confident	68 Å²	68	57.2 Å²	57.2	36%	0.364	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	109.2	172.7	-167.2	6	0	0	0	110.6	I247 A259 F260 H290	I247-N249 PolarHBondContact O-N 2.99Å; N249-A259 CarbonylContact O-C 3.5Å; N249-A259 WeakPolarHBondContact O-CA 3.43Å; N249-F260 PolarHBondContact N-O 2.77Å; N249-F260 PolarHBondContact O-N 3.09Å; N249-H290 PolarHBondContact OD1-CE1 2.76Å
250	V	91.4	Very high	87.3	Confident	3 Å²	3	51.1 Å²	51.1	2%	0.018	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	133.2	-179.5	177.5	0	0	0	0	109.1	L248 K252 A255 A259 R285 H290 R373	L248-V250 HydrophobicContact CD2-CG2 4.05Å; L248-V250 HydrophobicContact CG-CG2 4.38Å; V250-K252 PolarHBondContact O-N 3.26Å; V250-A255 HydrophobicContact CG1-CB 3.88Å; V250-A259 HydrophobicContact CB-CB 4.49Å; V250-A259 HydrophobicContact CG2-CB 4.11Å; V250-R285 VanDerWaalsContact CG1-NH1 3.31Å; V250-H290 HydrophobicContact CB-CB 4.18Å; V250-H290 HydrophobicContact CG2-CB 3.96Å; V250-H290 PolarHBondContact N-ND1 3.38Å; V250-R373 HydrophobicContact CB-CB 4.05Å; V250-R373 HydrophobicContact CB-CG 4.19Å; V250-R373 HydrophobicContact CG1-CB 4.09Å; V250-R373 HydrophobicContact CG1-CG 4.22Å; V250-R373 WeakPolarHBondContact O-CD 3.31Å
251	N	86.6	Confident	87.6	Confident	39 Å²	39	47 Å²	47	21%	0.209	23%	0.234	C	C	.	.			trans	-67.4	119	177.9	-173.3	-19.7	0	0	0	109.9	H253 R254 A255 E258 F260	N251-H253 PolarHBondContact O-N 3.01Å; N251-H253 PolarHBondContact OD1-N 2.94Å; N251-R254 CarbonylContact O-C 3.48Å; N251-R254 PolarHBondContact O-N 3.46Å; N251-A255 WeakPolarHBondContact O-CA 3.35Å; N251-A255 PolarHBondContact O-N 2.92Å; N251-E258 HydrophobicContact CB-CB 3.93Å; N251-E258 WeakPolarHBondContact CB-O 3.43Å; N251-E258 PolarHBondContact N-O 3.25Å; N251-E258 PolarHBondContact ND2-OE2 3.41Å; N251-F260 HydrophobicContact CB-CE2 4.36Å
252	K	82.1	Confident	87.8	Confident	94 Å²	94	49.5 Å²	49.5	41%	0.409	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-34.2	-179.2	-175.9	178	178	-177.8	0	112.9	V250 R373	V250-K252 PolarHBondContact O-N 3.26Å; K252-R373 HydrophobicContact CB-CG 4.28Å
253	H	78.9	Confident	87.5	Confident	133 Å²	133	44.7 Å²	44.7	62%	0.616	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-15.7	-176.5	-58.9	-70.9	0	0	0	113.7	N251 C312	N251-H253 PolarHBondContact O-N 3.01Å; N251-H253 PolarHBondContact OD1-N 2.94Å; H253-C312 HydrophobicContact CB-CB 4.44Å; H253-C312 PolarHBondContact O-SG 3.41Å; H253-C312 VanDerWaalsContact O-SG 3.37Å
254	R	79.9	Confident	86.1	Confident	39 Å²	39	48.4 Å²	48.4	15%	0.147	23%	0.229	C	C	.	.	S	Bend	trans	-140.8	48.5	-176.3	-66.9	-174.2	-179.4	-107.4	-0.6	110.9	N251 Q256 I257 E258 T308 A310	N251-R254 CarbonylContact O-C 3.48Å; N251-R254 PolarHBondContact O-N 3.46Å; R254-Q256 PolarHBondContact O-N 3.08Å; R254-Q256 VanDerWaalsContact O-N 3.08Å; R254-I257 PolarHBondContact O-N 3.24Å; R254-E258 HydrophobicContact CB-CB 4.34Å; R254-E258 HydrophobicContact CB-CG 4.46Å; R254-E258 PolarHBondContact O-N 3.34Å; R254-T308 VanDerWaalsContact CZ-CG2 3.41Å; R254-A310 PolarHBondContact NH2-O 2.96Å
255	A	84	Confident	84.1	Confident	18 Å²	18	50.5 Å²	50.5	15%	0.149	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-24.4	-167.9	0	0	0	0	0	114	V250 N251 R285 Y372	V250-A255 HydrophobicContact CG1-CB 3.88Å; N251-A255 WeakPolarHBondContact O-CA 3.35Å; N251-A255 PolarHBondContact O-N 2.92Å; A255-R285 PolarHBondContact O-NH1 3.38Å; A255-R285 PolarHBondContact O-NH2 2.87Å; A255-Y372 WeakPolarHBondContact CB-O 3.19Å
256	Q	82.4	Confident	81.5	Confident	117 Å²	117	52.3 Å²	52.3	55%	0.547	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-27.3	177.2	-60.1	-161	9.7	0	0	113.5	R254 M282 R285	R254-Q256 PolarHBondContact O-N 3.08Å; R254-Q256 VanDerWaalsContact O-N 3.08Å; Q256-M282 PolarHBondContact O-N 3Å; Q256-R285 PolarHBondContact O-NH2 2.92Å
257	I	84	Confident	78.8	Confident	49 Å²	49	57.9 Å²	57.9	25%	0.251	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-44.2	-168.5	-55	173.8	0	0	0	111.3	R254 H280 G281	R254-I257 PolarHBondContact O-N 3.24Å; I257-H280 CarbonylContact O-C 3.59Å; I257-H280 WeakPolarHBondContact O-CA 3.42Å; I257-G281 PolarHBondContact O-N 3.34Å
258	E	88.8	Confident	76.1	Confident	4 Å²	4	58 Å²	58	2%	0.019	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	128.3	-169.7	-66.6	-176.5	167.2	0	0	112.5	N251 R254 T308	N251-E258 HydrophobicContact CB-CB 3.93Å; N251-E258 WeakPolarHBondContact CB-O 3.43Å; N251-E258 PolarHBondContact N-O 3.25Å; N251-E258 PolarHBondContact ND2-OE2 3.41Å; R254-E258 HydrophobicContact CB-CB 4.34Å; R254-E258 HydrophobicContact CB-CG 4.46Å; R254-E258 PolarHBondContact O-N 3.34Å; E258-T308 WeakPolarHBondContact OE1-CB 3.46Å; E258-T308 PolarHBondContact OE1-N 2.98Å; E258-T308 VanDerWaalsContact OE1-N 3.13Å; E258-T308 PolarHBondContact OE1-OG1 3.23Å
259	A	91.6	Very high	73.6	Confident	0 Å²	0	68 Å²	68	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	157.3	163.4	0	0	0	0	0	109.3	L248 N249 V250 I279	L248-A259 HydrophobicContact CD1-CB 3.87Å; L248-A259 HydrophobicContact CG-CB 4.34Å; N249-A259 CarbonylContact O-C 3.5Å; N249-A259 WeakPolarHBondContact O-CA 3.43Å; V250-A259 HydrophobicContact CB-CB 4.49Å; V250-A259 HydrophobicContact CG2-CB 4.11Å; A259-I279 HydrophobicContact CB-CB 4.28Å; A259-I279 PolarHBondContact N-O 3.32Å; A259-I279 PolarHBondContact O-N 3.3Å
260	F	91.1	Very high	71.1	Confident	26 Å²	26	72.3 Å²	72.3	11%	0.114	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	141.8	-178.4	-57.6	-82.7	0	0	0	109.2	L248 N249 N251 D276 I277 L278 R307 M329	L248-F260 CarbonylContact C-O 3.49Å; N249-F260 PolarHBondContact N-O 2.77Å; N249-F260 PolarHBondContact O-N 3.09Å; N251-F260 HydrophobicContact CB-CE2 4.36Å; F260-D276 HydrophobicContact CB-CB 4.49Å; F260-I277 CarbonylContact C-O 3.59Å; F260-I277 VanDerWaalsContact CA-O 3.28Å; F260-I277 WeakPolarHBondContact CA-O 3.22Å; F260-L278 HydrophobicContact CD1-CD1 4.08Å; F260-L278 HydrophobicContact CE1-CD1 3.58Å; F260-L278 HydrophobicContact CZ-CD1 4.06Å; F260-R307 HydrophobicContact CE1-CG 4.23Å; F260-R307 HydrophobicContact CZ-CG 4.39Å; F260-M329 HydrophobicContact CD1-CE 4.2Å; F260-M329 HydrophobicContact CE1-CE 4.23Å; F260-M329 HydrophobicContact CE1-SD 4.12Å
261	V	91.1	Very high	69	Low	0 Å²	0	74.4 Å²	74.4	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	112.7	172.1	175.2	0	0	0	0	108	I247 L248 I277 I279 V294 V296	I247-V261 WeakPolarHBondContact O-CA 3.32Å; L248-V261 HydrophobicContact CD1-CG2 3.64Å; V261-I277 HydrophobicContact CB-CB 4.43Å; V261-I277 PolarHBondContact N-O 2.7Å; V261-I277 PolarHBondContact O-N 3.02Å; V261-I277 VanDerWaalsContact O-N 3.12Å; V261-I279 HydrophobicContact CG2-CD1 4.1Å; V261-I279 HydrophobicContact CG2-CG1 3.7Å; V261-V294 HydrophobicContact CG1-CG2 4.1Å; V261-V294 HydrophobicContact CG2-CG2 3.66Å; V261-V296 HydrophobicContact CB-CG2 4.09Å; V261-V296 HydrophobicContact CG1-CG2 3.94Å; V261-V296 HydrophobicContact CG2-CG2 3.75Å
262	R	86.1	Confident	67.2	Low	114 Å²	114	80.5 Å²	80.5	43%	0.43	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	127.9	176.7	-176.2	169.3	-75.8	-177	-4.7	109.3	G246 I247 D276	G246-R262 CarbonylContact C-O 3.56Å; G246-R262 WeakPolarHBondContact CA-O 3.48Å; I247-R262 PolarHBondContact N-O 3.3Å; I247-R262 PolarHBondContact O-N 3.37Å; R262-D276 WeakPolarHBondContact CA-OD1 3.35Å; R262-D276 IonicContact NE-OD1 3.66Å; R262-D276 IonicContact NE-OD2 3.56Å; R262-D276 IonicContact NH2-OD2 3.88Å
263	L	79.9	Confident	66	Low	52 Å²	52	77.7 Å²	77.7	27%	0.272	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	135.7	179.9	-54.3	177.4	0	0	0	109.9	I244 I277	I244-L263 HydrophobicContact CG2-CD2 3.2Å; L263-I277 HydrophobicContact CD2-CD1 4.17Å
264	Q	60.4	Low	65	Low	98 Å²	98	78 Å²	78	46%	0.458	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-85	135	168	-82.3	-178.7	-25.6	0	0	109	I247	I247-Q264 HydrophobicContact CD1-CG 4.14Å; I247-Q264 HydrophobicContact CG1-CG 4.04Å
265	G	48.9	Very low	64.5	Low	73 Å²	73	78.2 Å²	78.2	75%	0.753	45%	0.452	S	S	*	.	S	Bend	trans	-52.8	147.8	-165.4	0	0	0	0	0	117.5	S267	G265-S267 PolarHBondContact O-N 3.43Å
266	A	35.7	Very low	64.5	Low	110 Å²	110	78.2 Å²	78.2	91%	0.909	45%	0.449	S	S	*	.	S	Bend	trans	69.5	13.4	145.7	0	0	0	0	0	121.5
267	S	34.2	Very low	64.8	Low	116 Å²	116	72.7 Å²	72.7	81%	0.811	42%	0.423	S	S	*	.	S	Bend	trans	-106.1	-0.1	171	81.3	0	0	0	0	115.7	G265	G265-S267 PolarHBondContact O-N 3.43Å
268	S	35.8	Very low	65.2	Low	66 Å²	66	70.3 Å²	70.3	46%	0.462	41%	0.411	S	S	.	.			trans	-112	88.8	174.1	178.8	0	0	0	0	108.9	D270 S271	S268-D270 PolarHBondContact O-N 2.75Å; S268-S271 WeakPolarHBondContact CB-OG 3.45Å; S268-S271 WeakPolarHBondContact OG-CB 3.49Å; S268-S271 PolarHBondContact OG-N 3.25Å; S268-S271 PolarHBondContact OG-OG 3.29Å
269	K	41.6	Very low	65.4	Low	210 Å²	210	70.1 Å²	70.1	91%	0.913	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-1.9	165.6	-78.9	-174.5	174.2	-177.4	0	112.4
270	D	39.1	Very low	65.3	Low	158 Å²	158	73.2 Å²	73.2	85%	0.845	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.6	6.6	-167.9	-73.4	-32.2	0	0	0	115.1	S268	S268-D270 PolarHBondContact O-N 2.75Å
271	S	46.3	Very low	65.2	Low	46 Å²	46	72.8 Å²	72.8	32%	0.322	43%	0.427	S	S	.	.			trans	-110.7	111.5	175.4	63.9	0	0	0	0	111.7	S268 L273	S268-S271 WeakPolarHBondContact CB-OG 3.45Å; S268-S271 WeakPolarHBondContact OG-CB 3.49Å; S268-S271 PolarHBondContact OG-N 3.25Å; S268-S271 PolarHBondContact OG-OG 3.29Å; S271-L273 PolarHBondContact O-N 2.9Å
272	D	48.4	Very low	64.9	Low	167 Å²	167	75.2 Å²	75.2	89%	0.893	44%	0.439	S	S	*	.			trans	-58.2	9.3	169.8	-67.2	-32.7	0	0	0	114.6	V274	D272-V274 PolarHBondContact O-N 3.33Å
273	L	58	Low	65	Low	36 Å²	36	76 Å²	76	19%	0.188	45%	0.446	C	S	.	.			trans	-91.7	94	-176.7	-70.5	162.1	0	0	0	109.6	I244 S271 S275 L298 P330	I244-L273 HydrophobicContact CD1-CD1 3.68Å; S271-L273 PolarHBondContact O-N 2.9Å; L273-S275 VanDerWaalsContact C-N 3.32Å; L273-L298 HydrophobicContact CD1-CD1 3.66Å; L273-P330 HydrophobicContact CD2-CB 3.92Å; L273-P330 HydrophobicContact CD2-CG 3.56Å
274	V	57.5	Low	65.6	Low	140 Å²	140	74.7 Å²	74.7	85%	0.848	44%	0.442	S	S	*	.			trans	-82	-13.3	174.2	-176.7	0	0	0	0	111.7	D272	D272-V274 PolarHBondContact O-N 3.33Å
275	S	69	Low	67.1	Low	43 Å²	43	70.4 Å²	70.4	30%	0.301	42%	0.422	S	S	.	.	S	Bend	trans	-113.2	156.7	-171.5	57.8	0	0	0	0	114.7	L273	L273-S275 VanDerWaalsContact C-N 3.32Å
276	D	84.7	Confident	69.2	Low	18 Å²	18	67 Å²	67	10%	0.096	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-58.3	146.8	175.2	-73.3	-25	0	0	0	112.2	F260 R262 M329	F260-D276 HydrophobicContact CB-CB 4.49Å; R262-D276 WeakPolarHBondContact CA-OD1 3.35Å; R262-D276 IonicContact NE-OD1 3.66Å; R262-D276 IonicContact NE-OD2 3.56Å; R262-D276 IonicContact NH2-OD2 3.88Å; D276-M329 WeakPolarHBondContact O-CE 3.46Å
277	I	89.7	Confident	71.9	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	125.7	178	-57.8	166.5	0	0	0	110.3	I244 F260 V261 L263 I279 V296 L298 P330	I244-I277 HydrophobicContact CB-CD1 4.2Å; I244-I277 HydrophobicContact CD1-CD1 3.86Å; I244-I277 HydrophobicContact CG2-CD1 3.91Å; F260-I277 CarbonylContact C-O 3.59Å; F260-I277 VanDerWaalsContact CA-O 3.28Å; F260-I277 WeakPolarHBondContact CA-O 3.22Å; V261-I277 HydrophobicContact CB-CB 4.43Å; V261-I277 PolarHBondContact N-O 2.7Å; V261-I277 PolarHBondContact O-N 3.02Å; V261-I277 VanDerWaalsContact O-N 3.12Å; L263-I277 HydrophobicContact CD2-CD1 4.17Å; I277-I279 HydrophobicContact CG2-CD1 4.4Å; I277-V296 HydrophobicContact CG2-CG1 4.17Å; I277-L298 HydrophobicContact CD1-CD2 3.94Å; I277-L298 HydrophobicContact CG1-CD2 4.17Å; I277-L298 HydrophobicContact CG2-CD2 3.96Å; I277-P330 CarbonylContact C-O 3.57Å; I277-P330 WeakPolarHBondContact CA-O 3.41Å
278	L	91.7	Very high	74.7	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	131.4	175.5	178.2	65	0	0	0	111.4	F260 K305 M329 P330 T331 G332	F260-L278 HydrophobicContact CD1-CD1 4.08Å; F260-L278 HydrophobicContact CE1-CD1 3.58Å; F260-L278 HydrophobicContact CZ-CD1 4.06Å; L278-K305 HydrophobicContact CD2-CB 3.94Å; L278-M329 HydrophobicContact CB-CE 3.96Å; L278-M329 HydrophobicContact CB-CG 4.06Å; L278-M329 HydrophobicContact CB-SD 3.93Å; L278-M329 HydrophobicContact CD2-CG 4.24Å; L278-M329 HydrophobicContact CD2-SD 4.38Å; L278-P330 PolarHBondContact N-O 2.93Å; L278-T331 CarbonylContact O-C 3.52Å; L278-T331 VanDerWaalsContact O-CA 3.29Å; L278-T331 WeakPolarHBondContact O-CA 3.36Å; L278-T331 WeakPolarHBondContact O-CG2 3.28Å; L278-G332 PolarHBondContact O-N 3.38Å
279	I	92.8	Very high	77.4	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	104	170.4	-52.6	-59.5	0	0	0	107.8	L248 A259 V261 I277 A284 R285 V296 G332 V334	L248-I279 HydrophobicContact CD1-CG1 4.16Å; A259-I279 HydrophobicContact CB-CB 4.28Å; A259-I279 PolarHBondContact N-O 3.32Å; A259-I279 PolarHBondContact O-N 3.3Å; V261-I279 HydrophobicContact CG2-CD1 4.1Å; V261-I279 HydrophobicContact CG2-CG1 3.7Å; I277-I279 HydrophobicContact CG2-CD1 4.4Å; I279-A284 HydrophobicContact CG2-CB 4.05Å; I279-R285 HydrophobicContact CG2-CB 4.07Å; I279-V296 HydrophobicContact CD1-CG1 3.82Å; I279-V296 HydrophobicContact CD1-CG2 4.18Å; I279-G332 VanDerWaalsContact CD1-O 3.23Å; I279-G332 WeakPolarHBondContact CD1-O 3.48Å; I279-V334 HydrophobicContact CD1-CG2 4.42Å
280	H	90.5	Very high	79.9	Confident	65 Å²	65	45.8 Å²	45.8	30%	0.301	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	106.7	-174.1	-174.2	-69.2	0	0	0	111.9	I257 K305	I257-H280 CarbonylContact O-C 3.59Å; I257-H280 WeakPolarHBondContact O-CA 3.42Å; H280-K305 HydrophobicContact CB-CD 4.14Å; H280-K305 PolarHBondContact CE1-NZ 2.93Å; H280-K305 VanDerWaalsContact CE1-NZ 3.33Å; H280-K305 PolarHBondContact ND1-NZ 3.22Å
281	G	87.1	Confident	82.4	Confident	16 Å²	16	39.1 Å²	39.1	17%	0.165	22%	0.22	C	C	.	.	S	Bend	trans	96.1	160.2	172.7	0	0	0	0	0	114.7	I257 K283 A284 R285	I257-G281 PolarHBondContact O-N 3.34Å; G281-K283 VanDerWaalsContact C-N 3.34Å; G281-K283 PolarHBondContact O-N 3.4Å; G281-A284 PolarHBondContact O-N 2.92Å; G281-R285 PolarHBondContact O-N 2.91Å; G281-R285 VanDerWaalsContact O-N 3.14Å
282	M	86.6	Confident	84.6	Confident	51 Å²	51	37 Å²	37	25%	0.251	21%	0.205	S	C	.	.	H	α-helix	trans	-57.7	-41.4	-179.5	-70.2	-82.6	88	0	0	113.4	Y225 Q256 R285 N286	Y225-M282 WeakPolarHBondContact CE1-O 3.24Å; Q256-M282 PolarHBondContact O-N 3Å; M282-R285 WeakPolarHBondContact O-CB 3.31Å; M282-R285 PolarHBondContact O-N 3.18Å; M282-N286 PolarHBondContact O-N 3.41Å; M282-N286 VanDerWaalsContact O-N 3.13Å
283	K	88.2	Confident	86.6	Confident	131 Å²	131	29.7 Å²	29.7	57%	0.57	17%	0.166	S	C	*	.	H	α-helix	trans	-65.2	-43.3	-178.3	-66.4	-167.6	175.7	-159.8	0	112.4	E224 G281 R285 N286	E224-K283 WeakPolarHBondContact OE1-CE 3.34Å; E224-K283 IonicContact OE1-NZ 2.77Å; E224-K283 PolarHBondContact OE1-NZ 3.45Å; G281-K283 VanDerWaalsContact C-N 3.34Å; G281-K283 PolarHBondContact O-N 3.4Å; K283-R285 VanDerWaalsContact C-N 3.27Å; K283-R285 PolarHBondContact O-N 3.4Å; K283-N286 PolarHBondContact O-N 3.46Å
284	A	90.9	Very high	88.4	Confident	24 Å²	24	28 Å²	28	20%	0.198	16%	0.157	C	C	.	.	H	α-helix	trans	-68.2	-28.6	176.2	0	0	0	0	0	112.4	I279 G281 N286 R333 V334	I279-A284 HydrophobicContact CG2-CB 4.05Å; G281-A284 PolarHBondContact O-N 2.92Å; A284-N286 VanDerWaalsContact C-N 3.3Å; A284-R333 HydrophobicContact CB-CB 4.26Å; A284-V334 PolarHBondContact O-N 3.33Å
285	R	93.1	Very high	90.1	Very high	8 Å²	8	21.3 Å²	21.3	3%	0.03	12%	0.117	C	C	.	.	H	α-helix	trans	-70.8	-25.2	173.5	-165.6	179.6	-46.4	179.2	10.8	113.3	L248 V250 A255 Q256 I279 G281 M282 K283 S288 V334	L248-R285 HydrophobicContact CD2-CG 3.88Å; V250-R285 VanDerWaalsContact CG1-NH1 3.31Å; A255-R285 PolarHBondContact O-NH1 3.38Å; A255-R285 PolarHBondContact O-NH2 2.87Å; Q256-R285 PolarHBondContact O-NH2 2.92Å; I279-R285 HydrophobicContact CG2-CB 4.07Å; G281-R285 PolarHBondContact O-N 2.91Å; G281-R285 VanDerWaalsContact O-N 3.14Å; M282-R285 WeakPolarHBondContact O-CB 3.31Å; M282-R285 PolarHBondContact O-N 3.18Å; K283-R285 VanDerWaalsContact C-N 3.27Å; K283-R285 PolarHBondContact O-N 3.4Å; R285-S288 VanDerWaalsContact CD-O 3.27Å; R285-S288 WeakPolarHBondContact CD-O 3.48Å; R285-S288 WeakPolarHBondContact CG-O 3.4Å; R285-S288 VanDerWaalsContact CG-OG 3.25Å; R285-S288 WeakPolarHBondContact CG-OG 3.37Å; R285-S288 WeakPolarHBondContact O-CB 3.38Å; R285-S288 PolarHBondContact O-N 3.3Å; R285-S288 PolarHBondContact O-OG 3.35Å; R285-V334 WeakPolarHBondContact O-CB 3.44Å
286	N	92.9	Very high	91.3	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.016	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	67.6	169.7	-169.6	10.9	0	0	0	114.2	P226 H228 M282 K283 A284 S288 V334	P226-N286 PolarHBondContact O-OD1 3.22Å; P226-N286 VanDerWaalsContact O-OD1 3.07Å; H228-N286 PolarHBondContact CD2-ND2 3.39Å; H228-N286 VanDerWaalsContact CD2-ND2 3.34Å; H228-N286 PolarHBondContact NE2-O 2.76Å; M282-N286 PolarHBondContact O-N 3.41Å; M282-N286 VanDerWaalsContact O-N 3.13Å; K283-N286 PolarHBondContact O-N 3.46Å; A284-N286 VanDerWaalsContact C-N 3.3Å; N286-S288 PolarHBondContact O-N 3.01Å; N286-S288 VanDerWaalsContact O-N 3.1Å; N286-V334 HydrophobicContact CB-CB 4.15Å; N286-V334 HydrophobicContact CB-CG1 4.43Å; N286-V334 VanDerWaalsContact CB-O 3.3Å; N286-V334 WeakPolarHBondContact CB-O 3.28Å; N286-V334 PolarHBondContact ND2-O 2.81Å
287	R	92.1	Very high	91.7	Very high	13 Å²	13	19.8 Å²	19.8	5%	0.049	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	24.7	175.2	-49.6	-177.1	-61.1	-78.5	-8.1	115.1	Y225 P226 H228 I337 W399	Y225-R287 HydrophobicContact CD1-CG 4.12Å; Y225-R287 HydrophobicContact CD2-CG 3.67Å; Y225-R287 HydrophobicContact CE1-CG 4.5Å; Y225-R287 HydrophobicContact CE2-CG 4.07Å; Y225-R287 HydrophobicContact CG-CG 3.7Å; P226-R287 PolarHBondContact O-NH1 2.91Å; P226-R287 PolarHBondContact O-NH2 3Å; P226-R287 VanDerWaalsContact O-NH2 3.11Å; H228-R287 PolarHBondContact CD2-NH2 3.34Å; H228-R287 VanDerWaalsContact CD2-NH2 3.31Å; H228-R287 PolarHBondContact CE1-NH2 3.23Å; H228-R287 VanDerWaalsContact CG-NH2 3.31Å; H228-R287 PolarHBondContact ND1-NH2 2.9Å; H228-R287 PolarHBondContact NE2-NH2 2.9Å; R287-I337 WeakPolarHBondContact O-CD1 3.48Å; R287-W399 HydrophobicContact CB-CD2 3.79Å; R287-W399 HydrophobicContact CB-CE3 4Å; R287-W399 HydrophobicContact CB-CG 4.01Å; R287-W399 HydrophobicContact CB-CZ3 4.5Å; R287-W399 WeakPolarHBondContact CD-O 3.4Å; R287-W399 HydrophobicContact CG-CD2 4.08Å; R287-W399 HydrophobicContact CG-CG 4.08Å
288	S	93.6	Very high	91.8	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.021	12%	0.119	C	C	.	.			trans	-100.2	146.7	172.7	62.6	0	0	0	0	111.5	L248 R285 N286 D292	L248-S288 VanDerWaalsContact CD2-OG 3.3Å; L248-S288 WeakPolarHBondContact CD2-OG 3.27Å; R285-S288 VanDerWaalsContact CD-O 3.27Å; R285-S288 WeakPolarHBondContact CD-O 3.48Å; R285-S288 WeakPolarHBondContact CG-O 3.4Å; R285-S288 VanDerWaalsContact CG-OG 3.25Å; R285-S288 WeakPolarHBondContact CG-OG 3.37Å; R285-S288 WeakPolarHBondContact O-CB 3.38Å; R285-S288 PolarHBondContact O-N 3.3Å; R285-S288 PolarHBondContact O-OG 3.35Å; N286-S288 PolarHBondContact O-N 3.01Å; N286-S288 VanDerWaalsContact O-N 3.1Å; S288-D292 WeakPolarHBondContact CA-OD2 3.4Å
289	I	92.8	Very high	91.8	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	13%	0.129	C	C	.	.			trans	-115.4	168	-178.4	66	158.3	0	0	0	111.6	L248 G291 D292 W342 Y345 I374 W399	L248-I289 WeakPolarHBondContact CD2-O 3.2Å; I289-G291 PolarHBondContact O-N 2.9Å; I289-D292 VanDerWaalsContact CG1-OD1 3.32Å; I289-D292 WeakPolarHBondContact CG1-OD1 3.41Å; I289-D292 WeakPolarHBondContact CG1-OD2 3.32Å; I289-D292 PolarHBondContact N-OD2 3.03Å; I289-D292 WeakPolarHBondContact O-CB 3.46Å; I289-D292 PolarHBondContact O-N 3.49Å; I289-D292 VanDerWaalsContact O-N 3.11Å; I289-W342 HydrophobicContact CD1-CG 4.33Å; I289-Y345 WeakPolarHBondContact CD1-OH 3.44Å; I289-I374 HydrophobicContact CB-CD1 4.47Å; I289-I374 HydrophobicContact CD1-CD1 4.48Å; I289-W399 HydrophobicContact CG2-CE3 4.45Å; I289-W399 HydrophobicContact CG2-CZ3 3.87Å
290	H	93.4	Very high	91.6	Very high	39 Å²	39	28 Å²	28	18%	0.181	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	126.5	179.3	-179.4	50.1	0	0	0	112.9	L248 N249 V250 N341 R373 I374	L248-H290 PolarHBondContact O-ND1 3.29Å; N249-H290 PolarHBondContact OD1-CE1 2.76Å; V250-H290 HydrophobicContact CB-CB 4.18Å; V250-H290 HydrophobicContact CG2-CB 3.96Å; V250-H290 PolarHBondContact N-ND1 3.38Å; H290-N341 PolarHBondContact O-ND2 3.43Å; H290-R373 HydrophobicContact CB-CB 4.06Å; H290-R373 PolarHBondContact CD2-NH1 2.81Å; H290-R373 PolarHBondContact NE2-NH1 3.01Å; H290-I374 HydrophobicContact CB-CD1 4.3Å
291	G	90.4	Very high	91.4	Very high	18 Å²	18	32.9 Å²	32.9	19%	0.186	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	-3.4	179.8	0	0	0	0	0	114.7	L248 I289 N341	L248-G291 PolarHBondContact O-N 3.37Å; I289-G291 PolarHBondContact O-N 2.9Å; G291-N341 VanDerWaalsContact C-CB 3.45Å; G291-N341 WeakPolarHBondContact O-CB 3.47Å
292	D	92.5	Very high	91.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.2	C	C	.	.			trans	-62	142.3	173.9	-75	-9.9	0	0	0	111.2	I247 L248 S288 I289 V294 I337 K340 N341	I247-D292 WeakPolarHBondContact CA-O 3.44Å; L248-D292 PolarHBondContact N-O 2.96Å; S288-D292 WeakPolarHBondContact CA-OD2 3.4Å; I289-D292 VanDerWaalsContact CG1-OD1 3.32Å; I289-D292 WeakPolarHBondContact CG1-OD1 3.41Å; I289-D292 WeakPolarHBondContact CG1-OD2 3.32Å; I289-D292 PolarHBondContact N-OD2 3.03Å; I289-D292 WeakPolarHBondContact O-CB 3.46Å; I289-D292 PolarHBondContact O-N 3.49Å; I289-D292 VanDerWaalsContact O-N 3.11Å; D292-V294 HydrophobicContact CB-CG1 3.82Å; D292-V294 PolarHBondContact O-N 3.4Å; D292-I337 HydrophobicContact CB-CG2 4.27Å; D292-K340 WeakPolarHBondContact OD1-CA 3.37Å; D292-N341 PolarHBondContact OD1-N 3.39Å
293	V	91.6	Very high	91.4	Very high	14 Å²	14	41 Å²	41	9%	0.085	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	110.2	166.8	-173.7	0	0	0	0	107.6	Q245 G246 L338 Q339	Q245-V293 HydrophobicContact CG-CG1 3.94Å; G246-V293 WeakPolarHBondContact O-CA 3.39Å; V293-L338 HydrophobicContact CG1-CB 4.31Å; V293-L338 HydrophobicContact CG1-CD1 4.35Å; V293-L338 PolarHBondContact O-N 3.04Å; V293-Q339 HydrophobicContact CB-CB 3.92Å; V293-Q339 HydrophobicContact CG2-CB 3.98Å; V293-Q339 PolarHBondContact N-O 3.33Å; V293-Q339 PolarHBondContact O-N 2.87Å
294	V	94.4	Very high	91.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	158.1	-171	-62.1	0	0	0	0	111.6	Q245 G246 L248 V261 D292 V296 V334 I337	Q245-V294 WeakPolarHBondContact CA-O 3.44Å; G246-V294 PolarHBondContact N-O 3.35Å; G246-V294 PolarHBondContact O-N 2.99Å; L248-V294 HydrophobicContact CB-CG1 4.24Å; L248-V294 HydrophobicContact CB-CG2 4.13Å; V261-V294 HydrophobicContact CG1-CG2 4.1Å; V261-V294 HydrophobicContact CG2-CG2 3.66Å; D292-V294 HydrophobicContact CB-CG1 3.82Å; D292-V294 PolarHBondContact O-N 3.4Å; V294-V296 HydrophobicContact CG2-CG2 4.1Å; V294-V334 HydrophobicContact CB-CG1 4.02Å; V294-V334 HydrophobicContact CB-CG2 4.26Å; V294-V334 HydrophobicContact CG1-CG1 4.18Å; V294-V334 HydrophobicContact CG2-CG2 4.23Å; V294-I337 HydrophobicContact CG1-CG1 4.4Å
295	V	93.8	Very high	91.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.7	172.6	-173.1	0	0	0	0	108.7	L234 I238 Y243 I244 V334 V335 G336 L338	L234-V295 HydrophobicContact CB-CG2 4.33Å; L234-V295 HydrophobicContact CD1-CG2 4.24Å; L234-V295 HydrophobicContact CD2-CB 3.91Å; L234-V295 HydrophobicContact CD2-CG1 3.91Å; L234-V295 HydrophobicContact CD2-CG2 4.15Å; L234-V295 HydrophobicContact CG-CG2 4.49Å; I238-V295 HydrophobicContact CD1-CG1 4.28Å; I238-V295 HydrophobicContact CD1-CG2 3.97Å; I238-V295 HydrophobicContact CG1-CG1 4.16Å; Y243-V295 VanDerWaalsContact CB-CG1 3.44Å; Y243-V295 HydrophobicContact CD2-CG1 4.25Å; Y243-V295 HydrophobicContact CG-CG1 3.97Å; I244-V295 WeakPolarHBondContact O-CA 3.38Å; V295-V334 WeakPolarHBondContact O-CA 3.48Å; V295-V335 HydrophobicContact CB-CG2 4.18Å; V295-V335 HydrophobicContact CG1-CG2 3.94Å; V295-V335 WeakPolarHBondContact O-CG2 3.38Å; V295-V335 PolarHBondContact O-N 2.93Å; V295-G336 PolarHBondContact N-O 3.24Å; V295-L338 HydrophobicContact CG2-CD1 3.75Å; V295-L338 HydrophobicContact CG2-CD2 3.84Å; V295-L338 HydrophobicContact CG2-CG 3.53Å
296	V	94.3	Very high	90.2	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	137.3	-172.5	-175.2	0	0	0	0	110.3	Y243 I244 V261 I277 I279 V294 R333 V334	Y243-V296 WeakPolarHBondContact CA-O 3.36Å; I244-V296 PolarHBondContact N-O 3.33Å; I244-V296 PolarHBondContact O-N 3.05Å; V261-V296 HydrophobicContact CB-CG2 4.09Å; V261-V296 HydrophobicContact CG1-CG2 3.94Å; V261-V296 HydrophobicContact CG2-CG2 3.75Å; I277-V296 HydrophobicContact CG2-CG1 4.17Å; I279-V296 HydrophobicContact CD1-CG1 3.82Å; I279-V296 HydrophobicContact CD1-CG2 4.18Å; V294-V296 HydrophobicContact CG2-CG2 4.1Å; V296-R333 WeakPolarHBondContact CA-O 3.34Å; V296-R333 WeakPolarHBondContact CG1-O 3.29Å; V296-V334 HydrophobicContact CG2-CG2 4.39Å
297	E	93.6	Very high	89.3	Confident	29 Å²	29	46 Å²	46	14%	0.136	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	127.9	164.5	-174.5	175.1	-134.1	0	0	108.5	R242 Y243 G332 R333 V335	R242-E297 IonicContact CZ-OE1 3.7Å; R242-E297 IonicContact NE-OE1 3.56Å; R242-E297 IonicContact NH2-OE1 2.94Å; R242-E297 PolarHBondContact NH2-OE1 3.28Å; Y243-E297 HydrophobicContact CD1-CB 3.91Å; Y243-E297 HydrophobicContact CD1-CG 4.24Å; Y243-E297 HydrophobicContact CE1-CB 3.83Å; Y243-E297 HydrophobicContact CE1-CG 3.91Å; E297-G332 CarbonylContact O-C 3.6Å; E297-G332 VanDerWaalsContact O-CA 3.23Å; E297-G332 WeakPolarHBondContact O-CA 3.43Å; E297-R333 HydrophobicContact CB-CG 4.36Å; E297-R333 PolarHBondContact N-O 3.44Å; E297-R333 PolarHBondContact O-N 3.45Å; E297-R333 IonicContact OE2-CZ 3.43Å; E297-R333 IonicContact OE2-NE 2.69Å; E297-R333 PolarHBondContact OE2-NE 3.29Å; E297-R333 VanDerWaalsContact OE2-NE 3.08Å; E297-R333 IonicContact OE2-NH2 2.71Å; E297-R333 PolarHBondContact OE2-NH2 3.43Å; E297-V335 HydrophobicContact CB-CG1 3.76Å
298	L	91.9	Very high	88.3	Confident	59 Å²	59	47.4 Å²	47.4	31%	0.309	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	139.6	176.6	-69.8	175.6	0	0	0	110.8	I244 L273 I277	I244-L298 HydrophobicContact CD1-CD1 3.7Å; I244-L298 HydrophobicContact CD1-CD2 4.28Å; I244-L298 HydrophobicContact CD1-CG 3.88Å; L273-L298 HydrophobicContact CD1-CD1 3.66Å; I277-L298 HydrophobicContact CD1-CD2 3.94Å; I277-L298 HydrophobicContact CG1-CD2 4.17Å; I277-L298 HydrophobicContact CG2-CD2 3.96Å
299	L	91.2	Very high	87	Confident	40 Å²	40	49.5 Å²	49.5	21%	0.209	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-79.6	155.5	170.5	-59.6	179.9	0	0	0	110.3	E303 W304 T331 R333	L299-E303 HydrophobicContact CB-CB 4.12Å; L299-E303 HydrophobicContact CD1-CB 4.37Å; L299-W304 PolarHBondContact O-NE1 2.72Å; L299-T331 WeakPolarHBondContact CB-O 3.31Å; L299-T331 HydrophobicContact CD1-CG2 3.96Å; L299-T331 PolarHBondContact N-O 3.13Å; L299-R333 HydrophobicContact CD2-CG 4.33Å
300	P	89.6	Confident	85.5	Confident	74 Å²	74	49.9 Å²	49.9	48%	0.481	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-52	145.8	169.8	-28.7	39	0	0	0	112.4	N302 E303 W304	P300-N302 WeakPolarHBondContact CB-OD1 3.49Å; P300-N302 PolarHBondContact O-N 3.05Å; P300-E303 PolarHBondContact O-N 3.45Å; P300-W304 VanDerWaalsContact O-CD1 3.3Å
301	K	86.3	Confident	83.9	Confident	167 Å²	167	49.3 Å²	49.3	73%	0.726	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-57.2	-26.9	-173.4	-71.8	-173.6	176.5	-176.8	0	114.5	E303 W304	K301-E303 VanDerWaalsContact C-N 3.26Å; K301-E303 PolarHBondContact O-N 3.2Å; K301-W304 HydrophobicContact CB-CD2 4.5Å; K301-W304 HydrophobicContact CG-CD2 4.39Å; K301-W304 HydrophobicContact CG-CH2 4.13Å; K301-W304 HydrophobicContact CG-CZ2 3.84Å; K301-W304 HydrophobicContact CG-CZ3 4.5Å; K301-W304 WeakPolarHBondContact O-CB 3.27Å; K301-W304 PolarHBondContact O-N 2.92Å
302	N	86.9	Confident	82.3	Confident	139 Å²	139	50.2 Å²	50.2	74%	0.743	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-72.9	-15.6	176.1	61.5	-34.9	0	0	0	113.7	P300	P300-N302 WeakPolarHBondContact CB-OD1 3.49Å; P300-N302 PolarHBondContact O-N 3.05Å
303	E	85.9	Confident	80.3	Confident	99 Å²	99	51.7 Å²	51.7	46%	0.463	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-98.1	3.1	175.8	-65.2	-178	-160.9	0	0	112.7	L299 P300 K301	L299-E303 HydrophobicContact CB-CB 4.12Å; L299-E303 HydrophobicContact CD1-CB 4.37Å; P300-E303 PolarHBondContact O-N 3.45Å; K301-E303 VanDerWaalsContact C-N 3.26Å; K301-E303 PolarHBondContact O-N 3.2Å
304	W	88.7	Confident	78.2	Confident	62 Å²	62	54 Å²	54	24%	0.235	27%	0.27	C	S	.	.			trans	-68	134.3	178.1	-72.7	13	0	0	0	111	L299 P300 K301 P328 M329 P330 T331	L299-W304 PolarHBondContact O-NE1 2.72Å; P300-W304 VanDerWaalsContact O-CD1 3.3Å; K301-W304 HydrophobicContact CB-CD2 4.5Å; K301-W304 HydrophobicContact CG-CD2 4.39Å; K301-W304 HydrophobicContact CG-CH2 4.13Å; K301-W304 HydrophobicContact CG-CZ2 3.84Å; K301-W304 HydrophobicContact CG-CZ3 4.5Å; K301-W304 WeakPolarHBondContact O-CB 3.27Å; K301-W304 PolarHBondContact O-N 2.92Å; W304-P328 HydrophobicContact CB-CB 4.11Å; W304-M329 VanDerWaalsContact CB-O 3.31Å; W304-M329 WeakPolarHBondContact CB-O 3.36Å; W304-P330 HydrophobicContact CE3-CG 4.47Å; W304-P330 HydrophobicContact CH2-CB 4.16Å; W304-P330 HydrophobicContact CH2-CG 3.91Å; W304-P330 HydrophobicContact CZ2-CB 4.16Å; W304-P330 HydrophobicContact CZ2-CG 4.42Å; W304-P330 HydrophobicContact CZ3-CB 4.44Å; W304-P330 HydrophobicContact CZ3-CG 3.94Å; W304-T331 WeakPolarHBondContact CA-OG1 3.28Å
305	K	83.8	Confident	76	Confident	95 Å²	95	58.8 Å²	58.8	41%	0.413	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-113.7	153.5	-179.5	-64.2	-175.4	178.9	-172.6	0	110.3	L278 H280 M329 T331	L278-K305 HydrophobicContact CD2-CB 3.94Å; H280-K305 HydrophobicContact CB-CD 4.14Å; H280-K305 PolarHBondContact CE1-NZ 2.93Å; H280-K305 VanDerWaalsContact CE1-NZ 3.33Å; H280-K305 PolarHBondContact ND1-NZ 3.22Å; K305-M329 WeakPolarHBondContact O-CG 3.42Å; K305-M329 PolarHBondContact O-N 3.22Å; K305-T331 PolarHBondContact N-OG1 3.05Å
306	G	74.7	Confident	73.2	Confident	7 Å²	7	64.3 Å²	64.3	7%	0.072	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-90.6	166	173	0	0	0	0	0	112.8	S326 E327	G306-S326 WeakPolarHBondContact CA-O 3.42Å; G306-E327 VanDerWaalsContact CA-O 3.31Å; G306-E327 WeakPolarHBondContact CA-O 3.43Å
307	R	74.4	Confident	70.5	Confident	108 Å²	108	69.8 Å²	69.8	41%	0.408	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-70.1	146.9	173.5	-62.2	-176.4	-179.3	179.3	-1.3	111.3	F260 S326 M329	F260-R307 HydrophobicContact CE1-CG 4.23Å; F260-R307 HydrophobicContact CZ-CG 4.39Å; R307-S326 WeakPolarHBondContact O-CB 3.48Å; R307-S326 PolarHBondContact O-N 3.04Å; R307-M329 HydrophobicContact CG-SD 3.47Å; R307-M329 WeakPolarHBondContact CG-SD 3.27Å
308	T	71	Confident	68.1	Low	42 Å²	42	74 Å²	74	26%	0.258	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-83.1	129.8	172.4	-45.5	0	0	0	0	111.1	R254 E258 A310 E323	R254-T308 VanDerWaalsContact CZ-CG2 3.41Å; E258-T308 WeakPolarHBondContact OE1-CB 3.46Å; E258-T308 PolarHBondContact OE1-N 2.98Å; E258-T308 VanDerWaalsContact OE1-N 3.13Å; E258-T308 PolarHBondContact OE1-OG1 3.23Å; T308-A310 HydrophobicContact CG2-CB 4.33Å; T308-E323 WeakPolarHBondContact CG2-OE2 3.21Å
309	V	65.4	Low	65.5	Low	47 Å²	47	80 Å²	80	29%	0.285	41%	0.41	S	S	.	.			trans	-99.4	-4.7	-175.8	-170	0	0	0	0	112.8	R884 T885	V309-R884 VanDerWaalsContact O-CD 3.32Å; V309-R884 WeakPolarHBondContact O-CD 3.42Å; V309-T885 HydrophobicContact CB-CG2 4.28Å; V309-T885 HydrophobicContact CG1-CG2 4.45Å
310	A	61.7	Low	62.9	Low	9 Å²	9	80.8 Å²	80.8	7%	0.074	42%	0.422	C	S	.	.	S	Bend	trans	-80.4	139.3	-179.1	0	0	0	0	0	113.4	R254 T308 E323 T885	R254-A310 PolarHBondContact NH2-O 2.96Å; T308-A310 HydrophobicContact CG2-CB 4.33Å; A310-E323 WeakPolarHBondContact CB-OE1 3.19Å; A310-T885 WeakPolarHBondContact CA-OG1 3.39Å; A310-T885 WeakPolarHBondContact CB-OG1 3.49Å
311	L	59.6	Low	60.2	Low	26 Å²	26	83 Å²	83	14%	0.136	44%	0.439	C	S	.	.			trans	-64.5	147.7	168.7	-60.4	163.8	0	0	0	109.5	R884 N886 L889 A900 Y902	L311-R884 HydrophobicContact CD1-CB 3.92Å; L311-R884 HydrophobicContact CD1-CG 4.23Å; L311-R884 HydrophobicContact CD2-CB 4.2Å; L311-R884 HydrophobicContact CD2-CG 3.73Å; L311-R884 HydrophobicContact CG-CB 3.64Å; L311-R884 HydrophobicContact CG-CG 3.77Å; L311-N886 WeakPolarHBondContact CA-OD1 3.17Å; L311-N886 WeakPolarHBondContact CB-OD1 3.4Å; L311-N886 WeakPolarHBondContact CG-OD1 3.17Å; L311-N886 PolarHBondContact N-OD1 3.13Å; L311-N886 PolarHBondContact O-ND2 2.89Å; L311-L889 HydrophobicContact CD2-CD2 3.82Å; L311-A900 HydrophobicContact CD1-CB 4.17Å; L311-A900 HydrophobicContact CD2-CB 4.02Å; L311-Y902 HydrophobicContact CB-CD1 4.22Å; L311-Y902 HydrophobicContact CB-CE1 3.57Å; L311-Y902 HydrophobicContact CD1-CD1 4.28Å; L311-Y902 HydrophobicContact CD1-CE1 4.24Å
312	C	57	Low	58.1	Low	38 Å²	38	78.7 Å²	78.7	26%	0.257	44%	0.442	S	S	.	.			trans	-109.7	131.8	178.5	-170.9	0	0	0	0	109.6	H253 Y902	H253-C312 HydrophobicContact CB-CB 4.44Å; H253-C312 PolarHBondContact O-SG 3.41Å; H253-C312 VanDerWaalsContact O-SG 3.37Å; C312-Y902 PolarHBondContact O-OH 3.01Å
313	E	51	Low	56.2	Low	31 Å²	31	75.9 Å²	75.9	15%	0.145	43%	0.425	C	S	.	.			trans	-101.9	78.1	170.8	-80.3	-160	153.5	0	0	110.3	Y902 K906 R968	E313-Y902 HydrophobicContact CB-CE1 4.41Å; E313-Y902 HydrophobicContact CG-CD1 3.7Å; E313-Y902 HydrophobicContact CG-CD2 4Å; E313-Y902 HydrophobicContact CG-CE1 3.31Å; E313-Y902 HydrophobicContact CG-CE2 3.67Å; E313-Y902 HydrophobicContact CG-CG 4.02Å; E313-Y902 VanDerWaalsContact OE1-CD2 3.31Å; E313-Y902 WeakPolarHBondContact OE1-CD2 3.36Å; E313-K906 WeakPolarHBondContact OE2-CE 3.27Å; E313-K906 WeakPolarHBondContact OE2-CG 3.44Å; E313-R968 IonicContact OE1-NH2 2.72Å; E313-R968 PolarHBondContact OE1-NH2 3.16Å
314	N	48	Very low	54.2	Low	62 Å²	62	76.6 Å²	76.6	33%	0.332	44%	0.441	S	S	.	.	S	Bend	trans	57.7	-179.9	171.1	-65.4	-1.5	0	0	0	117.7	C316 Q958	N314-C316 PolarHBondContact O-N 3Å; N314-Q958 VanDerWaalsContact ND2-CD 3.32Å; N314-Q958 PolarHBondContact ND2-NE2 3.32Å; N314-Q958 PolarHBondContact ND2-OE1 2.85Å
315	D	46.8	Very low	52.4	Low	101 Å²	101	78 Å²	78	54%	0.54	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	8.1	-144	-64.1	-54.4	0	0	0	120.7	Y372	D315-Y372 VanDerWaalsContact OD1-CE1 3.26Å; D315-Y372 WeakPolarHBondContact OD1-CE1 3.16Å
316	C	35	Very low	51.5	Low	115 Å²	115	76.3 Å²	76.3	78%	0.777	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.3	-1.7	-168.9	-79	0	0	0	0	117.5	N314 D318	N314-C316 PolarHBondContact O-N 3Å; C316-D318 PolarHBondContact O-N 2.84Å; C316-D318 VanDerWaalsContact O-N 3.1Å
317	D	38	Very low	51.3	Low	116 Å²	116	83.9 Å²	83.9	62%	0.62	49%	0.492	S	S	*	.			trans	-90	74.3	-179.3	-83.5	-25.1	0	0	0	112.6	K319	D317-K319 PolarHBondContact O-N 3.26Å
318	D	42.4	Very low	51.5	Low	117 Å²	117	83.1 Å²	83.1	63%	0.626	50%	0.501	S	S	*	.			trans	-73.1	3	169.3	-83.9	-31.4	0	0	0	113.4	C316	C316-D318 PolarHBondContact O-N 2.84Å; C316-D318 VanDerWaalsContact O-N 3.1Å
319	K	37.7	Very low	52.2	Low	185 Å²	185	82.1 Å²	82.1	80%	0.804	49%	0.493	S	S	*	.			trans	-124.8	53.2	-172.5	-66.7	-168.5	-179.2	178.9	0	114	D317 S321	D317-K319 PolarHBondContact O-N 3.26Å; K319-S321 PolarHBondContact O-N 3.04Å
320	A	37	Very low	53.3	Low	57 Å²	57	80.3 Å²	80.3	47%	0.471	48%	0.483	S	S	.	.			trans	-84.6	68.9	154.3	0	0	0	0	0	109.6	G322 E323	A320-G322 PolarHBondContact O-N 3.38Å; A320-G322 VanDerWaalsContact O-N 3.14Å; A320-E323 HydrophobicContact CB-CG 4.3Å; A320-E323 WeakPolarHBondContact CB-OE1 3.32Å
321	S	32.7	Very low	54.7	Low	120 Å²	120	80 Å²	80	84%	0.839	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	97.7	173.3	53.3	0	0	0	0	109.6	K319	K319-S321 PolarHBondContact O-N 3.04Å
322	G	41.4	Very low	56.3	Low	77 Å²	77	78.8 Å²	78.8	79%	0.794	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	144.2	25.1	170.8	0	0	0	0	0	116.8	A320	A320-G322 PolarHBondContact O-N 3.38Å; A320-G322 VanDerWaalsContact O-N 3.14Å
323	E	47.6	Very low	58.1	Low	80 Å²	80	83 Å²	83	37%	0.374	48%	0.484	S	S	.	.			trans	-95.2	130.7	-177.4	-63.5	-174.8	166.2	0	0	111.8	T308 A310 A320 P325	T308-E323 WeakPolarHBondContact CG2-OE2 3.21Å; A310-E323 WeakPolarHBondContact CB-OE1 3.19Å; A320-E323 HydrophobicContact CB-CG 4.3Å; A320-E323 WeakPolarHBondContact CB-OE1 3.32Å; E323-P325 WeakPolarHBondContact O-CD 3.42Å
324	S	44.1	Very low	60.2	Low	114 Å²	114	81.8 Å²	81.8	80%	0.797	48%	0.478	S	S	*	.			trans	-71.3	111.6	171.5	-15.3	0	0	0	0	108.7
325	P	52	Low	62.4	Low	91 Å²	91	79.4 Å²	79.4	59%	0.591	47%	0.466	S	S	*	.			trans	-62.2	152.6	175.7	25.6	-32	0	0	0	110.3	E323	E323-P325 WeakPolarHBondContact O-CD 3.42Å
326	S	63	Low	64.5	Low	60 Å²	60	74.6 Å²	74.6	42%	0.42	44%	0.44	S	S	.	.			trans	-59.2	178.7	165.7	-173.3	0	0	0	0	111.1	G306 R307	G306-S326 WeakPolarHBondContact CA-O 3.42Å; R307-S326 WeakPolarHBondContact O-CB 3.48Å; R307-S326 PolarHBondContact O-N 3.04Å
327	E	70.6	Confident	67.2	Low	166 Å²	166	70.5 Å²	70.5	78%	0.776	41%	0.41	S	S	*	.	S	Bend	trans	-51.7	140.5	176.1	-68.8	-175.6	169.5	0	0	111.5	G306 M329	G306-E327 VanDerWaalsContact CA-O 3.31Å; G306-E327 WeakPolarHBondContact CA-O 3.43Å; E327-M329 PolarHBondContact O-N 2.9Å
328	P	78.6	Confident	69.5	Low	92 Å²	92	67.5 Å²	67.5	60%	0.597	39%	0.394	S	S	*	.			trans	-62.3	124.4	-177.4	24.4	-32.3	0	0	0	110.5	W304	W304-P328 HydrophobicContact CB-CB 4.11Å
329	M	85.7	Confident	71.6	Confident	20 Å²	20	67.3 Å²	67.3	10%	0.099	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-111.3	158.6	179.7	64.4	171.7	-64	0	0	111.7	F260 D276 L278 W304 K305 R307 E327 T331	F260-M329 HydrophobicContact CD1-CE 4.2Å; F260-M329 HydrophobicContact CE1-CE 4.23Å; F260-M329 HydrophobicContact CE1-SD 4.12Å; D276-M329 WeakPolarHBondContact O-CE 3.46Å; L278-M329 HydrophobicContact CB-CE 3.96Å; L278-M329 HydrophobicContact CB-CG 4.06Å; L278-M329 HydrophobicContact CB-SD 3.93Å; L278-M329 HydrophobicContact CD2-CG 4.24Å; L278-M329 HydrophobicContact CD2-SD 4.38Å; W304-M329 VanDerWaalsContact CB-O 3.31Å; W304-M329 WeakPolarHBondContact CB-O 3.36Å; K305-M329 WeakPolarHBondContact O-CG 3.42Å; K305-M329 PolarHBondContact O-N 3.22Å; R307-M329 HydrophobicContact CG-SD 3.47Å; R307-M329 WeakPolarHBondContact CG-SD 3.27Å; E327-M329 PolarHBondContact O-N 2.9Å; M329-T331 PolarHBondContact O-N 2.92Å; M329-T331 PolarHBondContact O-OG1 2.91Å
330	P	89.5	Confident	73.9	Confident	10 Å²	10	62.8 Å²	62.8	7%	0.065	37%	0.37	C	S	.	.			trans	-49.6	119.2	178.6	-27.4	35.2	0	0	0	111.4	L273 I277 L278 W304	L273-P330 HydrophobicContact CD2-CB 3.92Å; L273-P330 HydrophobicContact CD2-CG 3.56Å; I277-P330 CarbonylContact C-O 3.57Å; I277-P330 WeakPolarHBondContact CA-O 3.41Å; L278-P330 PolarHBondContact N-O 2.93Å; W304-P330 HydrophobicContact CE3-CG 4.47Å; W304-P330 HydrophobicContact CH2-CB 4.16Å; W304-P330 HydrophobicContact CH2-CG 3.91Å; W304-P330 HydrophobicContact CZ2-CB 4.16Å; W304-P330 HydrophobicContact CZ2-CG 4.42Å; W304-P330 HydrophobicContact CZ3-CB 4.44Å; W304-P330 HydrophobicContact CZ3-CG 3.94Å
331	T	91.9	Very high	76.4	Confident	3 Å²	3	63.2 Å²	63.2	2%	0.018	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-117.3	138.5	-177.4	-55.1	0	0	0	0	109.7	L278 L299 W304 K305 M329	L278-T331 CarbonylContact O-C 3.52Å; L278-T331 VanDerWaalsContact O-CA 3.29Å; L278-T331 WeakPolarHBondContact O-CA 3.36Å; L278-T331 WeakPolarHBondContact O-CG2 3.28Å; L299-T331 WeakPolarHBondContact CB-O 3.31Å; L299-T331 HydrophobicContact CD1-CG2 3.96Å; L299-T331 PolarHBondContact N-O 3.13Å; W304-T331 WeakPolarHBondContact CA-OG1 3.28Å; K305-T331 PolarHBondContact N-OG1 3.05Å; M329-T331 PolarHBondContact O-N 2.92Å; M329-T331 PolarHBondContact O-OG1 2.91Å
332	G	92.7	Very high	79	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	175.5	-175.7	0	0	0	0	0	113.9	L278 I279 E297	L278-G332 PolarHBondContact O-N 3.38Å; I279-G332 VanDerWaalsContact CD1-O 3.23Å; I279-G332 WeakPolarHBondContact CD1-O 3.48Å; E297-G332 CarbonylContact O-C 3.6Å; E297-G332 VanDerWaalsContact O-CA 3.23Å; E297-G332 WeakPolarHBondContact O-CA 3.43Å
333	R	94.1	Very high	81.3	Confident	127 Å²	127	57.5 Å²	57.5	48%	0.479	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144	172.1	66.8	179.8	-177.7	-176.9	-1	111.4	A284 V296 E297 L299 V335	A284-R333 HydrophobicContact CB-CB 4.26Å; V296-R333 WeakPolarHBondContact CA-O 3.34Å; V296-R333 WeakPolarHBondContact CG1-O 3.29Å; E297-R333 HydrophobicContact CB-CG 4.36Å; E297-R333 PolarHBondContact N-O 3.44Å; E297-R333 PolarHBondContact O-N 3.45Å; E297-R333 IonicContact OE2-CZ 3.43Å; E297-R333 IonicContact OE2-NE 2.69Å; E297-R333 PolarHBondContact OE2-NE 3.29Å; E297-R333 VanDerWaalsContact OE2-NE 3.08Å; E297-R333 IonicContact OE2-NH2 2.71Å; E297-R333 PolarHBondContact OE2-NH2 3.43Å; L299-R333 HydrophobicContact CD2-CG 4.33Å; R333-V335 HydrophobicContact CG-CG1 4.46Å; R333-V335 PolarHBondContact O-N 3.16Å
334	V	95.5	Very high	83.3	Confident	4 Å²	4	56.1 Å²	56.1	2%	0.024	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	121.7	178.3	176.4	0	0	0	0	110	I279 A284 R285 N286 V294 V295 V296	I279-V334 HydrophobicContact CD1-CG2 4.42Å; A284-V334 PolarHBondContact O-N 3.33Å; R285-V334 WeakPolarHBondContact O-CB 3.44Å; N286-V334 HydrophobicContact CB-CB 4.15Å; N286-V334 HydrophobicContact CB-CG1 4.43Å; N286-V334 VanDerWaalsContact CB-O 3.3Å; N286-V334 WeakPolarHBondContact CB-O 3.28Å; N286-V334 PolarHBondContact ND2-O 2.81Å; V294-V334 HydrophobicContact CB-CG1 4.02Å; V294-V334 HydrophobicContact CB-CG2 4.26Å; V294-V334 HydrophobicContact CG1-CG1 4.18Å; V294-V334 HydrophobicContact CG2-CG2 4.23Å; V295-V334 WeakPolarHBondContact O-CA 3.48Å; V296-V334 HydrophobicContact CG2-CG2 4.39Å
335	V	93.8	Very high	85.7	Confident	13 Å²	13	50.7 Å²	50.7	8%	0.079	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-15.4	179.5	-64.4	0	0	0	0	112.9	H228 L229 L234 Y243 V295 E297 R333	H228-V335 WeakPolarHBondContact CA-O 3.42Å; L229-V335 HydrophobicContact CD1-CB 3.97Å; L229-V335 HydrophobicContact CD1-CG2 4.18Å; L229-V335 HydrophobicContact CG-CB 4.4Å; L229-V335 PolarHBondContact N-O 3.21Å; L234-V335 HydrophobicContact CD2-CG2 3.91Å; Y243-V335 HydrophobicContact CD1-CG2 4.18Å; Y243-V335 HydrophobicContact CE1-CG2 4.19Å; Y243-V335 HydrophobicContact CG-CG2 4.39Å; V295-V335 HydrophobicContact CB-CG2 4.18Å; V295-V335 HydrophobicContact CG1-CG2 3.94Å; V295-V335 WeakPolarHBondContact O-CG2 3.38Å; V295-V335 PolarHBondContact O-N 2.93Å; E297-V335 HydrophobicContact CB-CG1 3.76Å; R333-V335 HydrophobicContact CG-CG1 4.46Å; R333-V335 PolarHBondContact O-N 3.16Å
336	G	90.9	Very high	87.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.2	165	176.3	0	0	0	0	0	113.2	V295	V295-G336 PolarHBondContact N-O 3.24Å
337	I	91.3	Very high	89.4	Confident	28 Å²	28	43.5 Å²	43.5	14%	0.144	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	117.3	179.3	-53.8	175	0	0	0	107.6	H228 R287 D292 V294 K340	H228-I337 VanDerWaalsContact CE1-CD1 3.5Å; H228-I337 WeakPolarHBondContact CE1-CD1 3.46Å; R287-I337 WeakPolarHBondContact O-CD1 3.48Å; D292-I337 HydrophobicContact CB-CG2 4.27Å; V294-I337 HydrophobicContact CG1-CG1 4.4Å; I337-K340 HydrophobicContact CG2-CG 3.95Å
338	L	86.9	Confident	90.5	Very high	54 Å²	54	35.6 Å²	35.6	28%	0.283	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-40.8	177.4	-63.8	176.1	0	0	0	111.2	L231 L234 I238 Q245 V293 V295	L231-L338 HydrophobicContact CD1-CD2 3.58Å; L234-L338 HydrophobicContact CB-CD2 4.4Å; L234-L338 HydrophobicContact CD1-CD2 4.15Å; I238-L338 HydrophobicContact CD1-CD1 4.12Å; Q245-L338 VanDerWaalsContact CD-CD1 3.5Å; Q245-L338 HydrophobicContact CG-CD1 3.86Å; V293-L338 HydrophobicContact CG1-CB 4.31Å; V293-L338 HydrophobicContact CG1-CD1 4.35Å; V293-L338 PolarHBondContact O-N 3.04Å; V295-L338 HydrophobicContact CG2-CD1 3.75Å; V295-L338 HydrophobicContact CG2-CD2 3.84Å; V295-L338 HydrophobicContact CG2-CG 3.53Å
339	Q	86.8	Confident	91	Very high	113 Å²	113	31.3 Å²	31.3	53%	0.528	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	118.9	-178.8	-175.9	-179.8	-16.9	0	0	110.3	V293	V293-Q339 HydrophobicContact CB-CB 3.92Å; V293-Q339 HydrophobicContact CG2-CB 3.98Å; V293-Q339 PolarHBondContact N-O 3.33Å; V293-Q339 PolarHBondContact O-N 2.87Å
340	K	86.7	Confident	91	Very high	89 Å²	89	30.7 Å²	30.7	39%	0.387	14%	0.142	S	C	.	.			trans	-75.2	139.5	172.2	-67.9	173.1	171.6	-174.2	0	110.5	R98 D292 I337 W342	R98-K340 PolarHBondContact NH1-O 3.45Å; D292-K340 WeakPolarHBondContact OD1-CA 3.37Å; I337-K340 HydrophobicContact CG2-CG 3.95Å; K340-W342 HydrophobicContact CB-CD2 4.32Å; K340-W342 HydrophobicContact CB-CG 4.1Å; K340-W342 HydrophobicContact CD-CD2 3.89Å; K340-W342 HydrophobicContact CD-CE3 4.14Å; K340-W342 HydrophobicContact CD-CH2 3.99Å; K340-W342 HydrophobicContact CD-CZ2 3.69Å; K340-W342 HydrophobicContact CD-CZ3 4.16Å; K340-W342 HydrophobicContact CG-CD2 4.5Å
341	N	88.8	Confident	90.6	Very high	66 Å²	66	31.7 Å²	31.7	35%	0.353	15%	0.149	S	C	.	.			trans	-103.4	33.1	173.4	-170.3	45	0	0	0	111.8	H290 G291 D292 Y345	H290-N341 PolarHBondContact O-ND2 3.43Å; G291-N341 VanDerWaalsContact C-CB 3.45Å; G291-N341 WeakPolarHBondContact O-CB 3.47Å; D292-N341 PolarHBondContact OD1-N 3.39Å; N341-Y345 PolarHBondContact O-OH 3.04Å
342	W	88.2	Confident	89.4	Confident	37 Å²	37	37.9 Å²	37.9	14%	0.14	18%	0.176	C	C	.	.			trans	-64.6	137.2	177.3	-62.3	3.5	0	0	0	110.2	R98 I289 K340 Y345 I396 D397	R98-W342 PolarHBondContact NH1-O 3.36Å; R98-W342 VanDerWaalsContact NH1-O 3.15Å; R98-W342 PolarHBondContact NH2-O 2.68Å; I289-W342 HydrophobicContact CD1-CG 4.33Å; K340-W342 HydrophobicContact CB-CD2 4.32Å; K340-W342 HydrophobicContact CB-CG 4.1Å; K340-W342 HydrophobicContact CD-CD2 3.89Å; K340-W342 HydrophobicContact CD-CE3 4.14Å; K340-W342 HydrophobicContact CD-CH2 3.99Å; K340-W342 HydrophobicContact CD-CZ2 3.69Å; K340-W342 HydrophobicContact CD-CZ3 4.16Å; K340-W342 HydrophobicContact CG-CD2 4.5Å; W342-Y345 WeakPolarHBondContact CA-OH 3.38Å; W342-I396 HydrophobicContact CD2-CB 4.24Å; W342-I396 HydrophobicContact CD2-CG2 4.02Å; W342-I396 HydrophobicContact CE3-CB 4.22Å; W342-I396 HydrophobicContact CE3-CG2 3.95Å; W342-I396 HydrophobicContact CH2-CG2 3.79Å; W342-I396 HydrophobicContact CZ2-CG2 3.89Å; W342-I396 HydrophobicContact CZ3-CG2 3.85Å; W342-D397 WeakPolarHBondContact CZ3-O 3.37Å
343	R	88.9	Confident	88	Confident	41 Å²	41	45.9 Å²	45.9	16%	0.155	21%	0.213	C	C	.	.			trans	-144.4	-175.9	-178.8	58.5	171.4	174.7	84.6	-8.6	109.6	Y345 D371 E430	R343-Y345 HydrophobicContact CG-CD1 4.31Å; R343-Y345 HydrophobicContact CG-CE1 3.7Å; R343-Y345 HydrophobicContact CG-CE2 4.39Å; R343-Y345 PolarHBondContact N-OH 3.32Å; R343-Y345 WeakPolarHBondContact O-CD2 3.33Å; R343-Y345 WeakPolarHBondContact O-CE2 3.31Å; R343-D371 IonicContact NH2-OD2 2.7Å; R343-E430 VanDerWaalsContact CZ-O 3.25Å; R343-E430 IonicContact CZ-OE2 3.61Å; R343-E430 PolarHBondContact NH1-O 3.29Å; R343-E430 IonicContact NH1-OE1 3.74Å; R343-E430 IonicContact NH1-OE2 2.7Å; R343-E430 PolarHBondContact NH1-OE2 3.49Å; R343-E430 PolarHBondContact NH2-O 3.04Å; R343-E430 IonicContact NH2-OE2 3.87Å; R343-E430 PolarHBondContact NH2-OE2 3.33Å
344	D	90.4	Very high	86.5	Confident	50 Å²	50	44.5 Å²	44.5	27%	0.267	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	131.5	167.4	-68.5	-14.6	0	0	0	109.1	V393 R395 V429	D344-V393 HydrophobicContact CB-CG1 3.7Å; D344-R395 IonicContact OD1-CZ 3.56Å; D344-R395 IonicContact OD1-NE 2.75Å; D344-R395 PolarHBondContact OD1-NE 3.09Å; D344-R395 IonicContact OD1-NH2 2.82Å; D344-R395 PolarHBondContact OD1-NH2 3.26Å; D344-R395 IonicContact OD2-NH2 3.87Å; D344-R395 PolarHBondContact OD2-NH2 3.1Å; D344-V429 HydrophobicContact CB-CG1 4.06Å
345	Y	94.3	Very high	84.8	Confident	1 Å²	1	46.2 Å²	46.2	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.9	179.2	-61.7	-73.5	0	0	0	109.3	I289 N341 W342 R343 I374 I377 V393 V394 I396	I289-Y345 WeakPolarHBondContact CD1-OH 3.44Å; N341-Y345 PolarHBondContact O-OH 3.04Å; W342-Y345 WeakPolarHBondContact CA-OH 3.38Å; R343-Y345 HydrophobicContact CG-CD1 4.31Å; R343-Y345 HydrophobicContact CG-CE1 3.7Å; R343-Y345 HydrophobicContact CG-CE2 4.39Å; R343-Y345 PolarHBondContact N-OH 3.32Å; R343-Y345 WeakPolarHBondContact O-CD2 3.33Å; R343-Y345 WeakPolarHBondContact O-CE2 3.31Å; Y345-I374 HydrophobicContact CD1-CD1 4.47Å; Y345-I374 HydrophobicContact CD1-CG1 3.98Å; Y345-I374 HydrophobicContact CD1-CG2 4.19Å; Y345-I374 HydrophobicContact CE1-CD1 3.78Å; Y345-I374 HydrophobicContact CE1-CG1 3.79Å; Y345-I374 HydrophobicContact CE1-CG2 4.22Å; Y345-I377 HydrophobicContact CD2-CD1 4.23Å; Y345-I377 HydrophobicContact CG-CD1 4.41Å; Y345-V393 WeakPolarHBondContact O-CA 3.39Å; Y345-V394 PolarHBondContact N-O 3.09Å; Y345-V394 PolarHBondContact O-N 3.26Å; Y345-I396 HydrophobicContact CD2-CD1 4Å; Y345-I396 HydrophobicContact CD2-CG1 3.99Å; Y345-I396 HydrophobicContact CE2-CD1 3.54Å; Y345-I396 HydrophobicContact CE2-CG1 3.86Å
346	V	96.1	Very high	82.8	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	129.6	170.8	-176.4	0	0	0	0	108	P369 W370 R391 V392 L414 T426 V429 E430	V346-P369 CarbonylContact O-C 3.55Å; V346-P369 WeakPolarHBondContact O-CA 3.36Å; V346-W370 HydrophobicContact CB-CB 4.24Å; V346-W370 HydrophobicContact CG1-CB 4.48Å; V346-W370 WeakPolarHBondContact O-CB 3.47Å; V346-W370 PolarHBondContact O-N 3.1Å; V346-R391 HydrophobicContact CG1-CB 4.03Å; V346-V392 CarbonylContact C-O 3.51Å; V346-V392 WeakPolarHBondContact CA-O 3.42Å; V346-L414 HydrophobicContact CG1-CD1 4.13Å; V346-L414 HydrophobicContact CG2-CD1 3.71Å; V346-T426 HydrophobicContact CB-CG2 3.97Å; V346-T426 HydrophobicContact CG1-CG2 3.68Å; V346-T426 HydrophobicContact CG2-CG2 4.11Å; V346-V429 HydrophobicContact CG2-CB 3.93Å; V346-V429 HydrophobicContact CG2-CG1 3.75Å; V346-E430 HydrophobicContact CB-CG 4.25Å; V346-E430 WeakPolarHBondContact CB-OE1 3.31Å; V346-E430 HydrophobicContact CG2-CG 4.06Å; V346-E430 PolarHBondContact N-OE1 3.11Å
347	V	95.3	Very high	80.9	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	165.2	-177.6	-63.2	0	0	0	0	110.9	V367 T368 P369 I377 V392 V394	V347-V367 HydrophobicContact CB-CB 3.95Å; V347-V367 HydrophobicContact CB-CG2 3.94Å; V347-V367 HydrophobicContact CG1-CB 4.41Å; V347-V367 HydrophobicContact CG1-CG2 3.91Å; V347-V367 HydrophobicContact CG2-CB 4.01Å; V347-V367 HydrophobicContact CG2-CG1 4.48Å; V347-V367 HydrophobicContact CG2-CG2 3.89Å; V347-T368 CarbonylContact C-O 3.56Å; V347-T368 VanDerWaalsContact CA-O 3.28Å; V347-T368 WeakPolarHBondContact CA-O 3.38Å; V347-P369 HydrophobicContact CG1-CB 4.3Å; V347-P369 HydrophobicContact CG1-CG 4.24Å; V347-I377 HydrophobicContact CG1-CD1 4.29Å; V347-V392 HydrophobicContact CG2-CB 4.23Å; V347-V392 HydrophobicContact CG2-CG1 4.44Å; V347-V392 WeakPolarHBondContact CG2-O 3.35Å; V347-V392 PolarHBondContact N-O 3.03Å; V347-V392 PolarHBondContact O-N 3.18Å; V347-V394 HydrophobicContact CB-CG2 4.22Å; V347-V394 HydrophobicContact CG1-CG2 3.37Å; V347-V394 HydrophobicContact CG2-CB 4.23Å; V347-V394 HydrophobicContact CG2-CG1 3.46Å; V347-V394 VanDerWaalsContact CG2-CG1 3.46Å; V347-V394 HydrophobicContact CG2-CG2 3.77Å
348	T	93.6	Very high	79.1	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	142.4	169.5	52.7	0	0	0	0	110	T368 I417 C962	T348-T368 PolarHBondContact N-O 3.31Å; T348-T368 PolarHBondContact O-N 2.99Å; T348-T368 PolarHBondContact OG1-O 2.95Å; T348-I417 HydrophobicContact CG2-CD1 3.87Å; T348-I417 HydrophobicContact CG2-CG1 4.33Å; T348-C962 VanDerWaalsContact OG1-CA 3.3Å; T348-C962 WeakPolarHBondContact OG1-CA 3.45Å; T348-C962 WeakPolarHBondContact OG1-CB 3.22Å; T348-C962 PolarHBondContact OG1-SG 3.09Å
349	F	90	Very high	77.3	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.009	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-76.1	148.2	174.3	-78.5	-102.8	0	0	0	110.7	I365 V367 I379 T381 A384 L387 Q388 V392 R961	F349-I365 HydrophobicContact CD1-CG2 4.18Å; F349-V367 HydrophobicContact CD1-CG1 3.88Å; F349-V367 HydrophobicContact CD2-CG1 4.16Å; F349-V367 HydrophobicContact CE1-CG1 4.02Å; F349-V367 HydrophobicContact CE2-CG1 4.26Å; F349-V367 HydrophobicContact CG-CG1 3.97Å; F349-V367 HydrophobicContact CZ-CG1 4.22Å; F349-I379 HydrophobicContact CD1-CD1 4.4Å; F349-I379 HydrophobicContact CE1-CD1 3.44Å; F349-I379 VanDerWaalsContact CE1-CD1 3.44Å; F349-I379 HydrophobicContact CE1-CG1 4.39Å; F349-I379 HydrophobicContact CE2-CD1 4.05Å; F349-I379 HydrophobicContact CZ-CD1 3.22Å; F349-T381 HydrophobicContact CE1-CG2 3.52Å; F349-T381 HydrophobicContact CZ-CG2 3.82Å; F349-A384 HydrophobicContact CD1-CB 4.12Å; F349-A384 HydrophobicContact CE1-CB 4.13Å; F349-L387 HydrophobicContact CD2-CB 3.67Å; F349-L387 HydrophobicContact CE2-CB 3.56Å; F349-L387 HydrophobicContact CE2-CD1 3.76Å; F349-L387 HydrophobicContact CE2-CG 4.3Å; F349-L387 HydrophobicContact CG-CB 4.25Å; F349-L387 HydrophobicContact CZ-CB 4.02Å; F349-L387 HydrophobicContact CZ-CD1 3.64Å; F349-L387 HydrophobicContact CZ-CG 4.5Å; F349-Q388 HydrophobicContact CB-CG 4.38Å; F349-V392 HydrophobicContact CD2-CG2 4.34Å; F349-V392 HydrophobicContact CE2-CB 4.24Å; F349-V392 HydrophobicContact CE2-CG1 4.18Å; F349-V392 HydrophobicContact CE2-CG2 4.04Å; F349-R961 PolarHBondContact O-NH1 3.17Å; F349-R961 PolarHBondContact O-NH2 2.78Å
350	P	85.8	Confident	75.4	Confident	7 Å²	7	64.4 Å²	64.4	5%	0.045	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-59	154	175	23.8	-31.6	0	0	0	111.8	E354 V355 I365 L366	P350-E354 VanDerWaalsContact CA-OE2 3.28Å; P350-E354 WeakPolarHBondContact CA-OE2 3.37Å; P350-E354 HydrophobicContact CB-CB 3.88Å; P350-E354 VanDerWaalsContact CB-OE2 3.29Å; P350-E354 WeakPolarHBondContact CB-OE2 3.5Å; P350-V355 HydrophobicContact CB-CG2 4.17Å; P350-V355 HydrophobicContact CG-CG2 3.81Å; P350-I365 HydrophobicContact CG-CG2 3.63Å; P350-L366 WeakPolarHBondContact CD-O 3.48Å
351	S	80.4	Confident	73.5	Confident	30 Å²	30	67.7 Å²	67.7	21%	0.21	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-71.8	165	179.6	77.5	0	0	0	0	111.8	E353 E354 V355	S351-E353 PolarHBondContact O-N 2.9Å; S351-E354 PolarHBondContact N-OE2 3.1Å; S351-E354 PolarHBondContact O-N 3.37Å; S351-E354 PolarHBondContact OG-N 2.84Å; S351-V355 WeakPolarHBondContact O-CG2 3.34Å; S351-V355 PolarHBondContact O-N 2.97Å
352	K	68.1	Low	71.9	Confident	134 Å²	134	66.5 Å²	66.5	58%	0.583	34%	0.344	S	S	*	.	H	α-helix	trans	-55.7	-34.5	177.4	-64.8	-170.2	178.6	178.9	0	113.4	Q356	K352-Q356 WeakPolarHBondContact O-CG 3.43Å; K352-Q356 PolarHBondContact O-N 3.43Å
353	E	62.1	Low	70.9	Confident	168 Å²	168	69.8 Å²	69.8	79%	0.785	36%	0.361	S	S	*	.	H	α-helix	trans	-69.1	-39.3	178.5	-63.8	176.8	177.2	0	0	111.2	S351	S351-E353 PolarHBondContact O-N 2.9Å
354	E	62.5	Low	70.3	Confident	98 Å²	98	71.2 Å²	71.2	46%	0.458	37%	0.368	S	S	.	.	H	α-helix	trans	-72.1	-36.3	176	-67	174.1	160.7	0	0	112	P350 S351 Q356 S357	P350-E354 VanDerWaalsContact CA-OE2 3.28Å; P350-E354 WeakPolarHBondContact CA-OE2 3.37Å; P350-E354 HydrophobicContact CB-CB 3.88Å; P350-E354 VanDerWaalsContact CB-OE2 3.29Å; P350-E354 WeakPolarHBondContact CB-OE2 3.5Å; S351-E354 PolarHBondContact N-OE2 3.1Å; S351-E354 PolarHBondContact O-N 3.37Å; S351-E354 PolarHBondContact OG-N 2.84Å; E354-Q356 PolarHBondContact O-N 3.33Å; E354-S357 WeakPolarHBondContact O-CB 3.3Å; E354-S357 PolarHBondContact O-N 3.31Å; E354-S357 PolarHBondContact O-OG 3.37Å
355	V	59.4	Low	70.1	Confident	40 Å²	40	69.4 Å²	69.4	24%	0.242	36%	0.358	C	S	.	.	H	α-helix	trans	-68.2	-33.8	178.5	174.8	0	0	0	0	112.1	P350 S351 S357 Q358	P350-V355 HydrophobicContact CB-CG2 4.17Å; P350-V355 HydrophobicContact CG-CG2 3.81Å; S351-V355 WeakPolarHBondContact O-CG2 3.34Å; S351-V355 PolarHBondContact O-N 2.97Å; V355-S357 PolarHBondContact O-N 3.19Å; V355-Q358 PolarHBondContact O-N 3.19Å
356	Q	51.7	Low	69.9	Low	159 Å²	159	71.1 Å²	71.1	74%	0.743	37%	0.368	S	S	*	.	H	α-helix	trans	-61.1	-26.8	175.2	-75.5	176.8	25.6	0	0	112.9	K352 E354 Q358	K352-Q356 WeakPolarHBondContact O-CG 3.43Å; K352-Q356 PolarHBondContact O-N 3.43Å; E354-Q356 PolarHBondContact O-N 3.33Å; Q356-Q358 VanDerWaalsContact C-N 3.32Å
357	S	51.7	Low	69.8	Low	98 Å²	98	71.1 Å²	71.1	69%	0.685	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-17.3	174.4	77.7	0	0	0	0	113.9	E354 V355	E354-S357 WeakPolarHBondContact O-CB 3.3Å; E354-S357 PolarHBondContact O-N 3.31Å; E354-S357 PolarHBondContact O-OG 3.37Å; V355-S357 PolarHBondContact O-N 3.19Å
358	Q	52.8	Low	69.7	Low	81 Å²	81	72.1 Å²	72.1	38%	0.379	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	2	-175.4	-65.3	-171.5	-12.5	0	0	114.3	V355 Q356	V355-Q358 PolarHBondContact O-N 3.19Å; Q356-Q358 VanDerWaalsContact C-N 3.32Å
359	G	50.8	Low	69.8	Low	40 Å²	40	72.2 Å²	72.2	41%	0.412	37%	0.374	S	S	.	.			trans	86.3	138.5	175.5	0	0	0	0	0	113.8	N361 A362	G359-N361 PolarHBondContact O-N 2.81Å; G359-A362 PolarHBondContact O-N 3.35Å
360	K	46.8	Very low	70	Confident	211 Å²	211	73.1 Å²	73.1	92%	0.917	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-6.9	-168.8	-69.9	-177	175	-178.4	0	116.6
361	N	46.4	Very low	70.2	Confident	158 Å²	158	73.1 Å²	73.1	85%	0.845	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.7	14.5	-175.9	-77	-2.2	0	0	0	113.4	G359 Q363	G359-N361 PolarHBondContact O-N 2.81Å; N361-Q363 PolarHBondContact O-N 3.33Å
362	A	53.9	Low	70.6	Confident	42 Å²	42	73.8 Å²	73.8	35%	0.347	38%	0.375	S	S	.	.			trans	-71.8	97.8	-176.1	0	0	0	0	0	111.1	G359 K364	G359-A362 PolarHBondContact O-N 3.35Å; A362-K364 PolarHBondContact O-N 2.83Å
363	Q	67.4	Low	71.7	Confident	105 Å²	105	69.9 Å²	69.9	49%	0.491	36%	0.357	S	S	.	.	S	Bend	trans	-59.3	-22.6	165.3	-72.8	-176.9	-20.6	0	0	111.7	N361 S380 T381	N361-Q363 PolarHBondContact O-N 3.33Å; Q363-S380 WeakPolarHBondContact O-CA 3.28Å; Q363-T381 PolarHBondContact O-N 2.99Å
364	K	76.6	Confident	73.2	Confident	72 Å²	72	62.4 Å²	62.4	31%	0.313	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	122.2	-178.7	-68	174.6	177.6	-173.1	0	111.1	E212 E216 A362 R378	E212-K364 WeakPolarHBondContact OE2-CE 3.33Å; E212-K364 VanDerWaalsContact OE2-CG 3.26Å; E212-K364 WeakPolarHBondContact OE2-CG 3.49Å; E216-K364 VanDerWaalsContact CG-NZ 3.32Å; E216-K364 IonicContact OE1-NZ 3.01Å; E216-K364 PolarHBondContact OE1-NZ 3.34Å; A362-K364 PolarHBondContact O-N 2.83Å; K364-R378 HydrophobicContact CB-CG 4.31Å
365	I	86.9	Confident	74.5	Confident	11 Å²	11	59 Å²	59	6%	0.056	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	136.4	-176.4	-59.9	177	0	0	0	109.3	F349 P350 R378 I379 A384	F349-I365 HydrophobicContact CD1-CG2 4.18Å; P350-I365 HydrophobicContact CG-CG2 3.63Å; I365-R378 WeakPolarHBondContact O-CA 3.32Å; I365-I379 PolarHBondContact N-O 3.29Å; I365-I379 PolarHBondContact O-N 3.07Å; I365-A384 HydrophobicContact CD1-CB 3.05Å
366	L	90.2	Very high	76.2	Confident	38 Å²	38	61.8 Å²	61.8	20%	0.199	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	112.5	172.6	-68.8	174.1	0	0	0	109.3	P350 I377 R378 Y405	P350-L366 WeakPolarHBondContact CD-O 3.48Å; L366-I377 WeakPolarHBondContact CA-O 3.5Å; L366-R378 HydrophobicContact CD2-CB 3.91Å; L366-R378 HydrophobicContact CD2-CG 4.36Å; L366-Y405 HydrophobicContact CD1-CD2 3.99Å; L366-Y405 HydrophobicContact CD1-CE2 3.73Å; L366-Y405 HydrophobicContact CD2-CD2 3.64Å; L366-Y405 HydrophobicContact CD2-CE2 4.23Å; L366-Y405 HydrophobicContact CD2-CG 3.83Å
367	V	92.7	Very high	78.1	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	148.1	173.6	-67.3	0	0	0	0	111.2	V347 F349 K376 I377 I379	V347-V367 HydrophobicContact CB-CB 3.95Å; V347-V367 HydrophobicContact CB-CG2 3.94Å; V347-V367 HydrophobicContact CG1-CB 4.41Å; V347-V367 HydrophobicContact CG1-CG2 3.91Å; V347-V367 HydrophobicContact CG2-CB 4.01Å; V347-V367 HydrophobicContact CG2-CG1 4.48Å; V347-V367 HydrophobicContact CG2-CG2 3.89Å; F349-V367 HydrophobicContact CD1-CG1 3.88Å; F349-V367 HydrophobicContact CD2-CG1 4.16Å; F349-V367 HydrophobicContact CE1-CG1 4.02Å; F349-V367 HydrophobicContact CE2-CG1 4.26Å; F349-V367 HydrophobicContact CG-CG1 3.97Å; F349-V367 HydrophobicContact CZ-CG1 4.22Å; V367-K376 WeakPolarHBondContact O-CA 3.37Å; V367-I377 HydrophobicContact CG2-CB 3.99Å; V367-I377 VanDerWaalsContact CG2-O 3.25Å; V367-I377 WeakPolarHBondContact CG2-O 3.35Å; V367-I377 PolarHBondContact N-O 3.09Å; V367-I377 PolarHBondContact O-N 3.25Å; V367-I379 HydrophobicContact CB-CD1 4.32Å; V367-I379 HydrophobicContact CG1-CD1 3.28Å; V367-I379 HydrophobicContact CG1-CG1 3.72Å; V367-I379 HydrophobicContact CG2-CD1 4.08Å; V367-I379 HydrophobicContact CG2-CG1 4.15Å; V367-I379 HydrophobicContact CG2-CG2 3.93Å
368	T	94	Very high	80	Confident	20 Å²	20	51.6 Å²	51.6	12%	0.123	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	117.4	-177.9	-56.6	0	0	0	0	109.5	V347 T348 C962	V347-T368 CarbonylContact C-O 3.56Å; V347-T368 VanDerWaalsContact CA-O 3.28Å; V347-T368 WeakPolarHBondContact CA-O 3.38Å; T348-T368 PolarHBondContact N-O 3.31Å; T348-T368 PolarHBondContact O-N 2.99Å; T348-T368 PolarHBondContact OG1-O 2.95Å; T368-C962 HydrophobicContact CG2-CB 3.87Å
369	P	94.7	Very high	81.7	Confident	3 Å²	3	47.8 Å²	47.8	2%	0.019	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	147.3	173	-21.9	32.8	0	0	0	112.9	V346 V347 I374 P375 I377 H963	V346-P369 CarbonylContact O-C 3.55Å; V346-P369 WeakPolarHBondContact O-CA 3.36Å; V347-P369 HydrophobicContact CG1-CB 4.3Å; V347-P369 HydrophobicContact CG1-CG 4.24Å; P369-I374 HydrophobicContact CB-CB 3.91Å; P369-I374 HydrophobicContact CB-CG2 4.15Å; P369-I374 HydrophobicContact CG-CB 3.98Å; P369-I374 HydrophobicContact CG-CG2 3.8Å; P369-P375 VanDerWaalsContact CG-O 3.28Å; P369-P375 WeakPolarHBondContact CG-O 3.42Å; P369-I377 HydrophobicContact CG-CD1 4.16Å; P369-I377 HydrophobicContact CG-CG1 4.2Å; P369-H963 PolarHBondContact O-CE1 2.77Å; P369-H963 PolarHBondContact O-ND1 3.45Å
370	W	94.4	Very high	83.3	Confident	20 Å²	20	46.3 Å²	46.3	8%	0.076	22%	0.223	C	C	.	.	S	Bend	trans	-64.5	-41.3	174.8	-175.6	91.2	0	0	0	111.3	V346 Y372 T426 E430 H963	V346-W370 HydrophobicContact CB-CB 4.24Å; V346-W370 HydrophobicContact CG1-CB 4.48Å; V346-W370 WeakPolarHBondContact O-CB 3.47Å; V346-W370 PolarHBondContact O-N 3.1Å; W370-Y372 PolarHBondContact O-N 2.8Å; W370-T426 HydrophobicContact CB-CG2 4.46Å; W370-T426 HydrophobicContact CD2-CG2 3.93Å; W370-T426 HydrophobicContact CG-CG2 3.8Å; W370-T426 HydrophobicContact CZ2-CG2 4.49Å; W370-E430 HydrophobicContact CD2-CG 4.26Å; W370-E430 HydrophobicContact CE3-CB 4.33Å; W370-E430 HydrophobicContact CE3-CG 3.63Å; W370-E430 HydrophobicContact CZ3-CB 4.28Å; W370-E430 HydrophobicContact CZ3-CG 4.07Å; W370-H963 PolarHBondContact O-ND1 3.14Å
371	D	91.2	Very high	84.8	Confident	7 Å²	7	37.4 Å²	37.4	4%	0.037	19%	0.186	C	C	.	.	S	Bend	trans	-78.9	110.9	172.1	-173.4	-8.4	0	0	0	111.6	R343 R373 I374	R343-D371 IonicContact NH2-OD2 2.7Å; D371-R373 PolarHBondContact O-N 3.34Å; D371-R373 WeakPolarHBondContact OD1-CB 3.11Å; D371-R373 WeakPolarHBondContact OD1-CG 3.32Å; D371-R373 IonicContact OD1-CZ 2.65Å; D371-R373 PolarHBondContact OD1-N 3.29Å; D371-R373 IonicContact OD1-NE 2.92Å; D371-R373 PolarHBondContact OD1-NE 2.86Å; D371-R373 IonicContact OD1-NH2 3.02Å; D371-R373 IonicContact OD2-CZ 3.79Å; D371-R373 VanDerWaalsContact OD2-CZ 3.24Å; D371-R373 IonicContact OD2-NE 2.99Å; D371-R373 PolarHBondContact OD2-NE 2.84Å; D371-R373 IonicContact OD2-NH2 3.62Å; D371-R373 PolarHBondContact OD2-NH2 2.56Å; D371-I374 HydrophobicContact CB-CG1 4.15Å; D371-I374 PolarHBondContact O-N 3.25Å
372	Y	88	Confident	86.3	Confident	44 Å²	44	38 Å²	38	17%	0.173	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-24.6	176.4	-70.4	-81.9	0	0	0	115	A255 D315 W370 I374 H963	A255-Y372 WeakPolarHBondContact CB-O 3.19Å; D315-Y372 VanDerWaalsContact OD1-CE1 3.26Å; D315-Y372 WeakPolarHBondContact OD1-CE1 3.16Å; W370-Y372 PolarHBondContact O-N 2.8Å; Y372-I374 PolarHBondContact O-N 3.34Å; Y372-H963 AromaticContact CD1-CE1 3.55Å; Y372-H963 AromaticContact CD1-ND1 3.79Å; Y372-H963 AromaticContact CD1-NE2 3.75Å; Y372-H963 HydrophobicContact CD2-CB 4.42Å; Y372-H963 AromaticContact CD2-ND1 3.88Å; Y372-H963 HydrophobicContact CE1-CB 4.27Å; Y372-H963 AromaticContact CE1-CD2 3.19Å; Y372-H963 WeakPolarHBondContact CE1-CD2 3.48Å; Y372-H963 AromaticContact CE1-CE1 3.47Å; Y372-H963 VanDerWaalsContact CE1-CE1 3.47Å; Y372-H963 WeakPolarHBondContact CE1-CE1 3.22Å; Y372-H963 AromaticContact CE1-CG 3.43Å; Y372-H963 VanDerWaalsContact CE1-CG 3.43Å; Y372-H963 AromaticContact CE1-ND1 3.59Å; Y372-H963 AromaticContact CE1-NE2 3.25Å; Y372-H963 VanDerWaalsContact CE1-NE2 3.25Å; Y372-H963 WeakPolarHBondContact CE1-NE2 3.48Å; Y372-H963 HydrophobicContact CE2-CB 3.49Å; Y372-H963 VanDerWaalsContact CE2-CB 3.49Å; Y372-H963 AromaticContact CE2-CG 3.45Å; Y372-H963 VanDerWaalsContact CE2-CG 3.45Å; Y372-H963 AromaticContact CE2-ND1 3.69Å; Y372-H963 AromaticContact CG-ND1 3.95Å; Y372-H963 VanDerWaalsContact CZ-CB 3.41Å; Y372-H963 AromaticContact CZ-CD2 3.19Å; Y372-H963 AromaticContact CZ-CE1 3.92Å; Y372-H963 AromaticContact CZ-CG 3.05Å; Y372-H963 AromaticContact CZ-ND1 3.55Å; Y372-H963 AromaticContact CZ-NE2 3.77Å; Y372-H963 WeakPolarHBondContact OH-CB 3.43Å; Y372-H963 PolarHBondContact OH-CD2 3.24Å
373	R	91.4	Very high	87.4	Confident	52 Å²	52	40.6 Å²	40.6	20%	0.196	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-15.1	-179.5	-65.5	172.2	-67.9	-170.7	-2.5	112.9	V250 K252 H290 D371	V250-R373 HydrophobicContact CB-CB 4.05Å; V250-R373 HydrophobicContact CB-CG 4.19Å; V250-R373 HydrophobicContact CG1-CB 4.09Å; V250-R373 HydrophobicContact CG1-CG 4.22Å; V250-R373 WeakPolarHBondContact O-CD 3.31Å; K252-R373 HydrophobicContact CB-CG 4.28Å; H290-R373 HydrophobicContact CB-CB 4.06Å; H290-R373 PolarHBondContact CD2-NH1 2.81Å; H290-R373 PolarHBondContact NE2-NH1 3.01Å; D371-R373 PolarHBondContact O-N 3.34Å; D371-R373 WeakPolarHBondContact OD1-CB 3.11Å; D371-R373 WeakPolarHBondContact OD1-CG 3.32Å; D371-R373 IonicContact OD1-CZ 2.65Å; D371-R373 PolarHBondContact OD1-N 3.29Å; D371-R373 IonicContact OD1-NE 2.92Å; D371-R373 PolarHBondContact OD1-NE 2.86Å; D371-R373 IonicContact OD1-NH2 3.02Å; D371-R373 IonicContact OD2-CZ 3.79Å; D371-R373 VanDerWaalsContact OD2-CZ 3.24Å; D371-R373 IonicContact OD2-NE 2.99Å; D371-R373 PolarHBondContact OD2-NE 2.84Å; D371-R373 IonicContact OD2-NH2 3.62Å; D371-R373 PolarHBondContact OD2-NH2 2.56Å
374	I	92.8	Very high	88	Confident	11 Å²	11	36.1 Å²	36.1	6%	0.056	17%	0.17	C	C	.	.	S	Bend	trans	-99.8	129.7	-177.9	-51.2	-57.6	0	0	0	109	I289 H290 Y345 P369 D371 Y372	I289-I374 HydrophobicContact CB-CD1 4.47Å; I289-I374 HydrophobicContact CD1-CD1 4.48Å; H290-I374 HydrophobicContact CB-CD1 4.3Å; Y345-I374 HydrophobicContact CD1-CD1 4.47Å; Y345-I374 HydrophobicContact CD1-CG1 3.98Å; Y345-I374 HydrophobicContact CD1-CG2 4.19Å; Y345-I374 HydrophobicContact CE1-CD1 3.78Å; Y345-I374 HydrophobicContact CE1-CG1 3.79Å; Y345-I374 HydrophobicContact CE1-CG2 4.22Å; P369-I374 HydrophobicContact CB-CB 3.91Å; P369-I374 HydrophobicContact CB-CG2 4.15Å; P369-I374 HydrophobicContact CG-CB 3.98Å; P369-I374 HydrophobicContact CG-CG2 3.8Å; D371-I374 HydrophobicContact CB-CG1 4.15Å; D371-I374 PolarHBondContact O-N 3.25Å; Y372-I374 PolarHBondContact O-N 3.34Å
375	P	91.8	Very high	88.2	Confident	27 Å²	27	39.8 Å²	39.8	18%	0.175	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-66.6	159.4	177.2	30.5	-37	0	0	0	111.3	P369 I377 W399 P406	P369-P375 VanDerWaalsContact CG-O 3.28Å; P369-P375 WeakPolarHBondContact CG-O 3.42Å; P375-I377 PolarHBondContact O-N 3.25Å; P375-W399 HydrophobicContact CB-CH2 4.3Å; P375-W399 HydrophobicContact CG-CH2 3.61Å; P375-W399 HydrophobicContact CG-CZ3 3.82Å; P375-P406 HydrophobicContact CG-CG 4.25Å
376	K	93.4	Very high	88.1	Confident	99 Å²	99	42.5 Å²	42.5	43%	0.43	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-52.6	139.9	172.5	-65.1	-174	179.3	-176.6	0	110.7	V367 Y405 P406	V367-K376 WeakPolarHBondContact O-CA 3.37Å; K376-Y405 HydrophobicContact CB-CD1 3.97Å; K376-Y405 HydrophobicContact CB-CE1 4.02Å; K376-Y405 WeakPolarHBondContact O-CD1 3.03Å; K376-P406 WeakPolarHBondContact O-CD 3.48Å
377	I	93.1	Very high	87.9	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	133.8	-177.2	-55.4	170	0	0	0	107.8	Y345 V347 L366 V367 P369 P375 I379 V394 I396 P406	Y345-I377 HydrophobicContact CD2-CD1 4.23Å; Y345-I377 HydrophobicContact CG-CD1 4.41Å; V347-I377 HydrophobicContact CG1-CD1 4.29Å; L366-I377 WeakPolarHBondContact CA-O 3.5Å; V367-I377 HydrophobicContact CG2-CB 3.99Å; V367-I377 VanDerWaalsContact CG2-O 3.25Å; V367-I377 WeakPolarHBondContact CG2-O 3.35Å; V367-I377 PolarHBondContact N-O 3.09Å; V367-I377 PolarHBondContact O-N 3.25Å; P369-I377 HydrophobicContact CG-CD1 4.16Å; P369-I377 HydrophobicContact CG-CG1 4.2Å; P375-I377 PolarHBondContact O-N 3.25Å; I377-I379 HydrophobicContact CG2-CG2 4.11Å; I377-V394 HydrophobicContact CD1-CG2 3.8Å; I377-I396 HydrophobicContact CD1-CD1 4.09Å; I377-I396 HydrophobicContact CD1-CG1 3.81Å; I377-I396 HydrophobicContact CG1-CD1 4.41Å; I377-I396 HydrophobicContact CG1-CG1 4.25Å; I377-I396 HydrophobicContact CG2-CG1 4.46Å; I377-P406 HydrophobicContact CG1-CG 4.13Å
378	R	91.1	Very high	87.6	Confident	42 Å²	42	41.7 Å²	41.7	16%	0.158	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	125.8	171.8	-170.2	-176.3	-57.9	137.3	12.3	108.7	E216 K364 I365 L366 S403 P406 N407 G408	E216-R378 IonicContact OE1-CZ 2.94Å; E216-R378 IonicContact OE1-NH1 3.74Å; E216-R378 PolarHBondContact OE1-NH1 2.85Å; E216-R378 IonicContact OE2-NH1 2.87Å; E216-R378 PolarHBondContact OE2-NH1 3Å; K364-R378 HydrophobicContact CB-CG 4.31Å; I365-R378 WeakPolarHBondContact O-CA 3.32Å; L366-R378 HydrophobicContact CD2-CB 3.91Å; L366-R378 HydrophobicContact CD2-CG 4.36Å; R378-S403 PolarHBondContact NH1-OG 3.03Å; R378-S403 PolarHBondContact NH2-OG 2.96Å; R378-P406 PolarHBondContact N-O 3.25Å; R378-N407 WeakPolarHBondContact CD-OD1 3.15Å; R378-N407 PolarHBondContact NH1-OD1 2.95Å; R378-G408 PolarHBondContact O-N 2.98Å
379	I	88.8	Confident	87.4	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	157.2	176.2	63.4	168.5	0	0	0	110.3	F349 I365 V367 I377 T381 V394	F349-I379 HydrophobicContact CD1-CD1 4.4Å; F349-I379 HydrophobicContact CE1-CD1 3.44Å; F349-I379 VanDerWaalsContact CE1-CD1 3.44Å; F349-I379 HydrophobicContact CE1-CG1 4.39Å; F349-I379 HydrophobicContact CE2-CD1 4.05Å; F349-I379 HydrophobicContact CZ-CD1 3.22Å; I365-I379 PolarHBondContact N-O 3.29Å; I365-I379 PolarHBondContact O-N 3.07Å; V367-I379 HydrophobicContact CB-CD1 4.32Å; V367-I379 HydrophobicContact CG1-CD1 3.28Å; V367-I379 HydrophobicContact CG1-CG1 3.72Å; V367-I379 HydrophobicContact CG2-CD1 4.08Å; V367-I379 HydrophobicContact CG2-CG1 4.15Å; V367-I379 HydrophobicContact CG2-CG2 3.93Å; I377-I379 HydrophobicContact CG2-CG2 4.11Å; I379-T381 HydrophobicContact CD1-CG2 4.23Å; I379-V394 HydrophobicContact CG2-CG1 4.17Å
380	S	83.1	Confident	87.3	Confident	10 Å²	10	48 Å²	48	7%	0.07	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	112.5	-177.2	-51.2	0	0	0	0	110.6	E212 Q363	E212-S380 VanDerWaalsContact CD-CB 3.46Å; E212-S380 WeakPolarHBondContact OE1-CB 3.45Å; E212-S380 PolarHBondContact OE1-OG 3.09Å; E212-S380 VanDerWaalsContact OE2-CB 3.3Å; E212-S380 WeakPolarHBondContact OE2-CB 3.37Å; E212-S380 PolarHBondContact OE2-OG 3.24Å; Q363-S380 WeakPolarHBondContact O-CA 3.28Å
381	T	80.1	Confident	87.3	Confident	23 Å²	23	47 Å²	47	14%	0.141	24%	0.235	C	C	.	.			trans	-155.4	145.8	-175	-179	0	0	0	0	112.1	F349 Q363 I379 Q383 A384	F349-T381 HydrophobicContact CE1-CG2 3.52Å; F349-T381 HydrophobicContact CZ-CG2 3.82Å; Q363-T381 PolarHBondContact O-N 2.99Å; I379-T381 HydrophobicContact CD1-CG2 4.23Å; T381-Q383 PolarHBondContact OG1-N 3.11Å; T381-Q383 VanDerWaalsContact OG1-N 3.1Å; T381-A384 HydrophobicContact CG2-CB 4.32Å
382	Q	77.1	Confident	87.5	Confident	171 Å²	171	46.7 Å²	46.7	80%	0.799	23%	0.233	S	C	*	.	S	Bend	trans	-89	-13.8	173.3	-59.5	-178.4	10	0	0	112.4	A384	Q382-A384 VanDerWaalsContact C-N 3.31Å; Q382-A384 PolarHBondContact O-N 2.99Å
383	Q	77	Confident	87.7	Confident	96 Å²	96	44.7 Å²	44.7	45%	0.449	23%	0.225	S	C	.	.			trans	-93.1	15.1	-175.1	-65.3	178.6	-32.1	0	0	113.3	T381 E385 A386 L387	T381-Q383 PolarHBondContact OG1-N 3.11Å; T381-Q383 VanDerWaalsContact OG1-N 3.1Å; Q383-E385 VanDerWaalsContact C-N 3.27Å; Q383-E385 PolarHBondContact O-N 3.18Å; Q383-E385 VanDerWaalsContact O-N 3.17Å; Q383-A386 PolarHBondContact O-N 2.93Å; Q383-L387 HydrophobicContact CB-CD1 4.1Å; Q383-L387 HydrophobicContact CB-CG 4.35Å; Q383-L387 WeakPolarHBondContact O-CG 3.5Å; Q383-L387 PolarHBondContact O-N 3.36Å
384	A	79.6	Confident	87.8	Confident	12 Å²	12	42.2 Å²	42.2	10%	0.099	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-43	-172.3	0	0	0	0	0	113.6	F349 I365 T381 Q382 A386 L387 Q388	F349-A384 HydrophobicContact CD1-CB 4.12Å; F349-A384 HydrophobicContact CE1-CB 4.13Å; I365-A384 HydrophobicContact CD1-CB 3.05Å; T381-A384 HydrophobicContact CG2-CB 4.32Å; Q382-A384 VanDerWaalsContact C-N 3.31Å; Q382-A384 PolarHBondContact O-N 2.99Å; A384-A386 VanDerWaalsContact C-N 3.35Å; A384-A386 PolarHBondContact O-N 3.18Å; A384-L387 PolarHBondContact O-N 3.14Å; A384-Q388 VanDerWaalsContact O-CG 3.26Å; A384-Q388 WeakPolarHBondContact O-CG 2.99Å; A384-Q388 PolarHBondContact O-N 2.76Å
385	E	80.4	Confident	87.6	Confident	148 Å²	148	44 Å²	44	69%	0.692	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-37.3	180	-65.3	-170.8	170	0	0	112.9	Q383 L387	Q383-E385 VanDerWaalsContact C-N 3.27Å; Q383-E385 PolarHBondContact O-N 3.18Å; Q383-E385 VanDerWaalsContact O-N 3.17Å; E385-L387 VanDerWaalsContact C-N 3.31Å
386	A	84.7	Confident	87.5	Confident	69 Å²	69	43 Å²	43	57%	0.57	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-26.6	178.8	0	0	0	0	0	112.3	Q383 A384 F390	Q383-A386 PolarHBondContact O-N 2.93Å; A384-A386 VanDerWaalsContact C-N 3.35Å; A384-A386 PolarHBondContact O-N 3.18Å; A386-F390 WeakPolarHBondContact O-CD2 3.18Å; A386-F390 WeakPolarHBondContact O-CE2 3.34Å
387	L	86.5	Confident	87	Confident	11 Å²	11	39.9 Å²	39.9	6%	0.058	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	0.7	-175.1	-62.8	175.6	0	0	0	113.8	F349 Q383 A384 E385 D389 F390 V392 F410 V413	F349-L387 HydrophobicContact CD2-CB 3.67Å; F349-L387 HydrophobicContact CE2-CB 3.56Å; F349-L387 HydrophobicContact CE2-CD1 3.76Å; F349-L387 HydrophobicContact CE2-CG 4.3Å; F349-L387 HydrophobicContact CG-CB 4.25Å; F349-L387 HydrophobicContact CZ-CB 4.02Å; F349-L387 HydrophobicContact CZ-CD1 3.64Å; F349-L387 HydrophobicContact CZ-CG 4.5Å; Q383-L387 HydrophobicContact CB-CD1 4.1Å; Q383-L387 HydrophobicContact CB-CG 4.35Å; Q383-L387 WeakPolarHBondContact O-CG 3.5Å; Q383-L387 PolarHBondContact O-N 3.36Å; A384-L387 PolarHBondContact O-N 3.14Å; E385-L387 VanDerWaalsContact C-N 3.31Å; L387-D389 PolarHBondContact O-N 3.12Å; L387-F390 PolarHBondContact O-N 2.9Å; L387-V392 HydrophobicContact CB-CG2 4.34Å; L387-V392 HydrophobicContact CD2-CG2 4.24Å; L387-F410 HydrophobicContact CD1-CD2 4.13Å; L387-F410 HydrophobicContact CD1-CE2 3.98Å; L387-F410 HydrophobicContact CD2-CE2 4.33Å; L387-V413 HydrophobicContact CD2-CG2 3.53Å
388	Q	86.3	Confident	86.6	Confident	9 Å²	9	40.6 Å²	40.6	4%	0.042	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-42.8	-175.8	-69.4	178.4	-3	0	0	113.2	F349 A384 F390 R961	F349-Q388 HydrophobicContact CB-CG 4.38Å; A384-Q388 VanDerWaalsContact O-CG 3.26Å; A384-Q388 WeakPolarHBondContact O-CG 2.99Å; A384-Q388 PolarHBondContact O-N 2.76Å; Q388-F390 VanDerWaalsContact C-N 3.28Å; Q388-F390 PolarHBondContact O-N 3.16Å; Q388-R961 PolarHBondContact O-NH2 3.36Å
389	D	89.8	Confident	86.5	Confident	101 Å²	101	39.8 Å²	39.8	54%	0.54	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	16.8	-173.1	-60.5	-37.6	0	0	0	113.1	L387 R416 I417	L387-D389 PolarHBondContact O-N 3.12Å; D389-R416 WeakPolarHBondContact O-CA 3.49Å; D389-I417 PolarHBondContact O-N 2.78Å
390	F	92.6	Very high	86.2	Confident	54 Å²	54	41.9 Å²	41.9	24%	0.237	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	146.5	-175	-66.5	-90.9	0	0	0	112.5	A386 L387 Q388 V392 V413 G415 R416	A386-F390 WeakPolarHBondContact O-CD2 3.18Å; A386-F390 WeakPolarHBondContact O-CE2 3.34Å; L387-F390 PolarHBondContact O-N 2.9Å; Q388-F390 VanDerWaalsContact C-N 3.28Å; Q388-F390 PolarHBondContact O-N 3.16Å; F390-V392 HydrophobicContact CB-CG2 4.29Å; F390-V413 HydrophobicContact CB-CG1 3.81Å; F390-V413 HydrophobicContact CD1-CG1 3.66Å; F390-V413 HydrophobicContact CG-CG1 3.94Å; F390-G415 CarbonylContact C-O 3.51Å; F390-G415 VanDerWaalsContact CA-O 3.27Å; F390-G415 WeakPolarHBondContact CA-O 3.48Å; F390-G415 WeakPolarHBondContact CD1-O 3.47Å; F390-R416 HydrophobicContact CD1-CG 3.83Å; F390-R416 HydrophobicContact CE1-CG 3.4Å; F390-R416 HydrophobicContact CZ-CG 3.88Å
391	R	94.9	Very high	86.2	Confident	1 Å²	1	42 Å²	42	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	124.9	162.9	-62.3	-64.6	-172.8	-173.6	4	108.1	V346 L414 G415 I417 E423 R961 C962 H963	V346-R391 HydrophobicContact CG1-CB 4.03Å; R391-L414 HydrophobicContact CB-CB 4.18Å; R391-L414 PolarHBondContact O-N 2.82Å; R391-G415 PolarHBondContact N-O 2.84Å; R391-I417 HydrophobicContact CG-CG1 4.31Å; R391-E423 IonicContact CZ-OE1 2.88Å; R391-E423 IonicContact CZ-OE2 2.98Å; R391-E423 IonicContact NE-OE1 3.66Å; R391-E423 PolarHBondContact NE-OE1 3.37Å; R391-E423 IonicContact NE-OE2 3.96Å; R391-E423 IonicContact NH2-OE1 3.2Å; R391-E423 PolarHBondContact NH2-OE1 2.81Å; R391-E423 IonicContact NH2-OE2 3.33Å; R391-E423 PolarHBondContact NH2-OE2 3.41Å; R391-R961 PolarHBondContact NH1-O 2.94Å; R391-R961 VanDerWaalsContact NH1-O 3.15Å; R391-C962 VanDerWaalsContact NH1-C 3.3Å; R391-C962 PolarHBondContact NH1-O 2.85Å; R391-H963 PolarHBondContact NH2-O 3.45Å
392	V	94.1	Very high	86.4	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	141.2	-173	173.4	0	0	0	0	110.2	V346 V347 F349 L387 F390 V394 F410 V413	V346-V392 CarbonylContact C-O 3.51Å; V346-V392 WeakPolarHBondContact CA-O 3.42Å; V347-V392 HydrophobicContact CG2-CB 4.23Å; V347-V392 HydrophobicContact CG2-CG1 4.44Å; V347-V392 WeakPolarHBondContact CG2-O 3.35Å; V347-V392 PolarHBondContact N-O 3.03Å; V347-V392 PolarHBondContact O-N 3.18Å; F349-V392 HydrophobicContact CD2-CG2 4.34Å; F349-V392 HydrophobicContact CE2-CB 4.24Å; F349-V392 HydrophobicContact CE2-CG1 4.18Å; F349-V392 HydrophobicContact CE2-CG2 4.04Å; L387-V392 HydrophobicContact CB-CG2 4.34Å; L387-V392 HydrophobicContact CD2-CG2 4.24Å; F390-V392 HydrophobicContact CB-CG2 4.29Å; V392-V394 HydrophobicContact CG1-CG1 4.31Å; V392-F410 HydrophobicContact CG1-CD2 3.33Å; V392-F410 HydrophobicContact CG1-CE2 3.4Å; V392-F410 HydrophobicContact CG2-CE2 4.5Å; V392-V413 HydrophobicContact CG2-CG2 4.45Å
393	V	93.9	Very high	86.7	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	129.6	173.3	-175.2	0	0	0	0	109.8	D344 Y345 V411 R412 L414 V429	D344-V393 HydrophobicContact CB-CG1 3.7Å; Y345-V393 WeakPolarHBondContact O-CA 3.39Å; V393-V411 HydrophobicContact CB-CB 4.22Å; V393-V411 HydrophobicContact CG1-CB 4.08Å; V393-V411 HydrophobicContact CG1-CG2 4.4Å; V393-V411 WeakPolarHBondContact O-CB 3.46Å; V393-V411 PolarHBondContact O-N 3.17Å; V393-R412 HydrophobicContact CB-CG 4.06Å; V393-R412 HydrophobicContact CG2-CG 3.97Å; V393-R412 PolarHBondContact N-O 2.86Å; V393-L414 HydrophobicContact CG2-CD1 3.82Å; V393-L414 HydrophobicContact CG2-CD2 3.68Å; V393-L414 HydrophobicContact CG2-CG 3.68Å; V393-V429 HydrophobicContact CG1-CG1 4.46Å; V393-V429 HydrophobicContact CG2-CG1 4.17Å
394	V	92.3	Very high	87.2	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	159.6	171.6	-59.5	0	0	0	0	110.9	Y345 V347 I377 I379 V392 H409	Y345-V394 PolarHBondContact N-O 3.09Å; Y345-V394 PolarHBondContact O-N 3.26Å; V347-V394 HydrophobicContact CB-CG2 4.22Å; V347-V394 HydrophobicContact CG1-CG2 3.37Å; V347-V394 HydrophobicContact CG2-CB 4.23Å; V347-V394 HydrophobicContact CG2-CG1 3.46Å; V347-V394 VanDerWaalsContact CG2-CG1 3.46Å; V347-V394 HydrophobicContact CG2-CG2 3.77Å; I377-V394 HydrophobicContact CD1-CG2 3.8Å; I379-V394 HydrophobicContact CG2-CG1 4.17Å; V392-V394 HydrophobicContact CG1-CG1 4.31Å; V394-H409 VanDerWaalsContact CA-O 3.24Å; V394-H409 WeakPolarHBondContact CA-O 3.29Å; V394-H409 VanDerWaalsContact CB-O 3.3Å; V394-H409 WeakPolarHBondContact CB-O 3.48Å
395	R	89.6	Confident	87.7	Confident	49 Å²	49	37 Å²	37	19%	0.185	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	140.4	174.5	-172.6	171.6	-67.1	169.5	9.5	110.5	E71 D344 G408 H409 V411	E71-R395 VanDerWaalsContact CD-NH1 3.3Å; E71-R395 IonicContact OE1-CZ 2.9Å; E71-R395 IonicContact OE1-NH1 3.24Å; E71-R395 PolarHBondContact OE1-NH1 3.38Å; D344-R395 IonicContact OD1-CZ 3.56Å; D344-R395 IonicContact OD1-NE 2.75Å; D344-R395 PolarHBondContact OD1-NE 3.09Å; D344-R395 IonicContact OD1-NH2 2.82Å; D344-R395 PolarHBondContact OD1-NH2 3.26Å; D344-R395 IonicContact OD2-NH2 3.87Å; D344-R395 PolarHBondContact OD2-NH2 3.1Å; R395-G408 CarbonylContact O-C 3.54Å; R395-G408 WeakPolarHBondContact O-CA 3.32Å; R395-H409 PolarHBondContact N-O 3.47Å; R395-H409 PolarHBondContact O-N 3.18Å; R395-V411 HydrophobicContact CB-CG2 4.21Å
396	I	89.9	Confident	88.2	Confident	6 Å²	6	30 Å²	30	3%	0.031	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	128.1	175.6	-61.5	174.3	0	0	0	109.1	W342 Y345 I377 P406	W342-I396 HydrophobicContact CD2-CB 4.24Å; W342-I396 HydrophobicContact CD2-CG2 4.02Å; W342-I396 HydrophobicContact CE3-CB 4.22Å; W342-I396 HydrophobicContact CE3-CG2 3.95Å; W342-I396 HydrophobicContact CH2-CG2 3.79Å; W342-I396 HydrophobicContact CZ2-CG2 3.89Å; W342-I396 HydrophobicContact CZ3-CG2 3.85Å; Y345-I396 HydrophobicContact CD2-CD1 4Å; Y345-I396 HydrophobicContact CD2-CG1 3.99Å; Y345-I396 HydrophobicContact CE2-CD1 3.54Å; Y345-I396 HydrophobicContact CE2-CG1 3.86Å; I377-I396 HydrophobicContact CD1-CD1 4.09Å; I377-I396 HydrophobicContact CD1-CG1 3.81Å; I377-I396 HydrophobicContact CG1-CD1 4.41Å; I377-I396 HydrophobicContact CG1-CG1 4.25Å; I377-I396 HydrophobicContact CG2-CG1 4.46Å; I396-P406 HydrophobicContact CD1-CB 4.39Å; I396-P406 HydrophobicContact CD1-CG 4.31Å; I396-P406 HydrophobicContact CG1-CB 4.47Å; I396-P406 HydrophobicContact CG2-CB 3.8Å
397	D	83.1	Confident	88.4	Confident	34 Å²	34	27.4 Å²	27.4	18%	0.182	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-44.6	-179.6	-61	-39.6	0	0	0	112.3	S209 W342 N407 G408 H409	S209-D397 PolarHBondContact OG-OD2 2.88Å; W342-D397 WeakPolarHBondContact CZ3-O 3.37Å; D397-N407 PolarHBondContact N-O 2.83Å; D397-G408 WeakPolarHBondContact OD2-CA 3.32Å; D397-H409 VanDerWaalsContact CG-ND1 3.29Å; D397-H409 IonicContact OD1-CE1 3.3Å; D397-H409 PolarHBondContact OD1-CE1 3.27Å; D397-H409 IonicContact OD1-CG 3.19Å; D397-H409 IonicContact OD1-ND1 2.71Å; D397-H409 PolarHBondContact OD1-ND1 3.04Å; D397-H409 IonicContact OD2-CG 2.76Å; D397-H409 PolarHBondContact OD2-N 2.94Å; D397-H409 IonicContact OD2-ND1 2.9Å; D397-H409 PolarHBondContact OD2-ND1 3.18Å
398	S	83.5	Confident	88.5	Confident	15 Å²	15	27 Å²	27	11%	0.105	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	161.3	-175.5	58.1	0	0	0	0	111.5	R213 E400 P406 N407	R213-S398 PolarHBondContact NE-OG 3.15Å; R213-S398 VanDerWaalsContact NE-OG 3.08Å; R213-S398 PolarHBondContact NH2-OG 3.43Å; S398-E400 WeakPolarHBondContact CB-OE1 3.11Å; S398-E400 PolarHBondContact OG-OE1 3.05Å; S398-P406 WeakPolarHBondContact O-CA 3.37Å; S398-N407 PolarHBondContact N-O 3.22Å; S398-N407 PolarHBondContact O-N 2.92Å
399	W	88.6	Confident	88.5	Confident	25 Å²	25	26.7 Å²	26.7	10%	0.095	14%	0.135	C	C	.	.			trans	-143	97.2	169.6	-164.9	-13.4	0	0	0	108.3	Y225 R287 I289 P375 S403 V404 P406	Y225-W399 HydrophobicContact CE2-CZ2 4.34Å; Y225-W399 AromaticContact CE2-NE1 3.94Å; R287-W399 HydrophobicContact CB-CD2 3.79Å; R287-W399 HydrophobicContact CB-CE3 4Å; R287-W399 HydrophobicContact CB-CG 4.01Å; R287-W399 HydrophobicContact CB-CZ3 4.5Å; R287-W399 WeakPolarHBondContact CD-O 3.4Å; R287-W399 HydrophobicContact CG-CD2 4.08Å; R287-W399 HydrophobicContact CG-CG 4.08Å; I289-W399 HydrophobicContact CG2-CE3 4.45Å; I289-W399 HydrophobicContact CG2-CZ3 3.87Å; P375-W399 HydrophobicContact CB-CH2 4.3Å; P375-W399 HydrophobicContact CG-CH2 3.61Å; P375-W399 HydrophobicContact CG-CZ3 3.82Å; W399-S403 PolarHBondContact NE1-O 3.49Å; W399-V404 VanDerWaalsContact CZ2-O 3.27Å; W399-V404 WeakPolarHBondContact CZ2-O 3.3Å; W399-P406 HydrophobicContact CB-CB 4.12Å; W399-P406 HydrophobicContact CD2-CB 3.9Å; W399-P406 HydrophobicContact CD2-CG 4.33Å; W399-P406 HydrophobicContact CE3-CB 3.99Å; W399-P406 HydrophobicContact CE3-CG 4.22Å; W399-P406 HydrophobicContact CG-CB 3.99Å
400	E	83.8	Confident	88.4	Confident	44 Å²	44	22.3 Å²	22.3	21%	0.206	11%	0.111	C	C	.	.			trans	-71.1	149.8	-177.5	-64.8	73.7	-160	0	0	111.3	R213 S398 T402 S403 N407	R213-E400 IonicContact NE-OE1 3.81Å; S398-E400 WeakPolarHBondContact CB-OE1 3.11Å; S398-E400 PolarHBondContact OG-OE1 3.05Å; E400-T402 PolarHBondContact O-N 2.73Å; E400-S403 PolarHBondContact O-N 2.75Å; E400-S403 VanDerWaalsContact O-N 3.17Å; E400-N407 PolarHBondContact OE2-ND2 2.9Å
401	S	83.4	Confident	88	Confident	13 Å²	13	21.1 Å²	21.1	9%	0.091	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-17.5	179.2	57.3	0	0	0	0	113.6	E224 Y225 E227	E224-S401 PolarHBondContact N-O 3.44Å; Y225-S401 PolarHBondContact N-O 3.2Å; E227-S401 VanDerWaalsContact OE1-CB 3.32Å; E227-S401 WeakPolarHBondContact OE1-CB 3.47Å; E227-S401 PolarHBondContact OE1-OG 3.05Å
402	T	82.8	Confident	87.7	Confident	50 Å²	50	27 Å²	27	31%	0.307	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-14.2	179.3	58.4	0	0	0	0	112.8	S220 G222 K223 E400	S220-T402 VanDerWaalsContact OG-CB 3.26Å; S220-T402 WeakPolarHBondContact OG-CB 3.28Å; S220-T402 VanDerWaalsContact OG-CG2 3.26Å; S220-T402 WeakPolarHBondContact OG-CG2 3.47Å; S220-T402 PolarHBondContact OG-OG1 3.27Å; G222-T402 WeakPolarHBondContact O-CG2 3.46Å; K223-T402 HydrophobicContact CG-CG2 4.42Å; E400-T402 PolarHBondContact O-N 2.73Å
403	S	84.2	Confident	87.6	Confident	6 Å²	6	29.9 Å²	29.9	4%	0.042	15%	0.148	C	C	.	.			trans	-104.8	135	-176.5	-174.6	0	0	0	0	112.4	Y225 R378 W399 E400 Y405	Y225-S403 VanDerWaalsContact CE2-O 3.28Å; Y225-S403 WeakPolarHBondContact CE2-O 3.49Å; R378-S403 PolarHBondContact NH1-OG 3.03Å; R378-S403 PolarHBondContact NH2-OG 2.96Å; W399-S403 PolarHBondContact NE1-O 3.49Å; E400-S403 PolarHBondContact O-N 2.75Å; E400-S403 VanDerWaalsContact O-N 3.17Å; S403-Y405 VanDerWaalsContact C-N 3.29Å; S403-Y405 WeakPolarHBondContact CB-O 3.18Å; S403-Y405 PolarHBondContact O-N 2.8Å; S403-Y405 PolarHBondContact OG-N 3Å; S403-Y405 PolarHBondContact OG-O 3.23Å
404	V	86.6	Confident	87.4	Confident	63 Å²	63	31.2 Å²	31.2	38%	0.382	16%	0.155	S	C	.	.	S	Bend	trans	-66.1	-32.3	171.4	179.8	0	0	0	0	111.7	E224 W399	E224-V404 HydrophobicContact CG-CG2 3.9Å; W399-V404 VanDerWaalsContact CZ2-O 3.27Å; W399-V404 WeakPolarHBondContact CZ2-O 3.3Å
405	Y	89.8	Confident	87.4	Confident	79 Å²	79	31.8 Å²	31.8	31%	0.31	16%	0.161	S	C	.	.	S	Bend	trans	-118.8	145.9	-173.6	-58.7	-68.5	0	0	0	111.5	L366 K376 S403	L366-Y405 HydrophobicContact CD1-CD2 3.99Å; L366-Y405 HydrophobicContact CD1-CE2 3.73Å; L366-Y405 HydrophobicContact CD2-CD2 3.64Å; L366-Y405 HydrophobicContact CD2-CE2 4.23Å; L366-Y405 HydrophobicContact CD2-CG 3.83Å; K376-Y405 HydrophobicContact CB-CD1 3.97Å; K376-Y405 HydrophobicContact CB-CE1 4.02Å; K376-Y405 WeakPolarHBondContact O-CD1 3.03Å; S403-Y405 VanDerWaalsContact C-N 3.29Å; S403-Y405 WeakPolarHBondContact CB-O 3.18Å; S403-Y405 PolarHBondContact O-N 2.8Å; S403-Y405 PolarHBondContact OG-N 3Å; S403-Y405 PolarHBondContact OG-O 3.23Å
406	P	91.8	Very high	87.5	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.181	C	C	.	.			trans	-65.9	148.4	170.9	27.8	-35.1	0	0	0	111.6	P375 K376 I377 R378 I396 S398 W399	P375-P406 HydrophobicContact CG-CG 4.25Å; K376-P406 WeakPolarHBondContact O-CD 3.48Å; I377-P406 HydrophobicContact CG1-CG 4.13Å; R378-P406 PolarHBondContact N-O 3.25Å; I396-P406 HydrophobicContact CD1-CB 4.39Å; I396-P406 HydrophobicContact CD1-CG 4.31Å; I396-P406 HydrophobicContact CG1-CB 4.47Å; I396-P406 HydrophobicContact CG2-CB 3.8Å; S398-P406 WeakPolarHBondContact O-CA 3.37Å; W399-P406 HydrophobicContact CB-CB 4.12Å; W399-P406 HydrophobicContact CD2-CB 3.9Å; W399-P406 HydrophobicContact CD2-CG 4.33Å; W399-P406 HydrophobicContact CE3-CB 3.99Å; W399-P406 HydrophobicContact CE3-CG 4.22Å; W399-P406 HydrophobicContact CG-CB 3.99Å
407	N	88.4	Confident	87.6	Confident	15 Å²	15	39 Å²	39	8%	0.08	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	140.4	171.9	-74.3	-42.8	0	0	0	109.7	E216 R378 D397 S398 E400	E216-N407 PolarHBondContact OE2-ND2 3.01Å; E216-N407 VanDerWaalsContact OE2-ND2 3.17Å; R378-N407 WeakPolarHBondContact CD-OD1 3.15Å; R378-N407 PolarHBondContact NH1-OD1 2.95Å; D397-N407 PolarHBondContact N-O 2.83Å; S398-N407 PolarHBondContact N-O 3.22Å; S398-N407 PolarHBondContact O-N 2.92Å; E400-N407 PolarHBondContact OE2-ND2 2.9Å
408	G	89.5	Confident	87.7	Confident	2 Å²	2	39.1 Å²	39.1	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	175.9	179.8	0	0	0	0	0	113.6	R378 R395 D397	R378-G408 PolarHBondContact O-N 2.98Å; R395-G408 CarbonylContact O-C 3.54Å; R395-G408 WeakPolarHBondContact O-CA 3.32Å; D397-G408 WeakPolarHBondContact OD2-CA 3.32Å
409	H	84.9	Confident	88.1	Confident	3 Å²	3	42.4 Å²	42.4	1%	0.014	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	160	-178.9	69.8	-90.8	0	0	0	112.2	S205 V394 R395 D397	S205-H409 WeakPolarHBondContact OG-CB 3.47Å; V394-H409 VanDerWaalsContact CA-O 3.24Å; V394-H409 WeakPolarHBondContact CA-O 3.29Å; V394-H409 VanDerWaalsContact CB-O 3.3Å; V394-H409 WeakPolarHBondContact CB-O 3.48Å; R395-H409 PolarHBondContact N-O 3.47Å; R395-H409 PolarHBondContact O-N 3.18Å; D397-H409 VanDerWaalsContact CG-ND1 3.29Å; D397-H409 IonicContact OD1-CE1 3.3Å; D397-H409 PolarHBondContact OD1-CE1 3.27Å; D397-H409 IonicContact OD1-CG 3.19Å; D397-H409 IonicContact OD1-ND1 2.71Å; D397-H409 PolarHBondContact OD1-ND1 3.04Å; D397-H409 IonicContact OD2-CG 2.76Å; D397-H409 PolarHBondContact OD2-N 2.94Å; D397-H409 IonicContact OD2-ND1 2.9Å; D397-H409 PolarHBondContact OD2-ND1 3.18Å
410	F	87.9	Confident	88.1	Confident	9 Å²	9	43.4 Å²	43.4	4%	0.039	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	137.9	178	166.5	-90.7	0	0	0	110.9	L202 S205 L387 V392 V413	L202-F410 WeakPolarHBondContact CD1-O 3.27Å; S205-F410 PolarHBondContact OG-N 3.09Å; L387-F410 HydrophobicContact CD1-CD2 4.13Å; L387-F410 HydrophobicContact CD1-CE2 3.98Å; L387-F410 HydrophobicContact CD2-CE2 4.33Å; V392-F410 HydrophobicContact CG1-CD2 3.33Å; V392-F410 HydrophobicContact CG1-CE2 3.4Å; V392-F410 HydrophobicContact CG2-CE2 4.5Å; F410-V413 HydrophobicContact CE2-CG2 4.05Å; F410-V413 HydrophobicContact CZ-CG2 3.97Å
411	V	85.3	Confident	88.5	Confident	29 Å²	29	45.7 Å²	45.7	18%	0.176	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	-59.9	177.8	-176.7	0	0	0	0	111.8	V393 R395	V393-V411 HydrophobicContact CB-CB 4.22Å; V393-V411 HydrophobicContact CG1-CB 4.08Å; V393-V411 HydrophobicContact CG1-CG2 4.4Å; V393-V411 WeakPolarHBondContact O-CB 3.46Å; V393-V411 PolarHBondContact O-N 3.17Å; R395-V411 HydrophobicContact CB-CG2 4.21Å
412	R	88.1	Confident	88.9	Confident	124 Å²	124	45.1 Å²	45.1	47%	0.468	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	162.2	-177.6	64.9	-177.2	-178.7	118.3	-0.6	113.2	V393	V393-R412 HydrophobicContact CB-CG 4.06Å; V393-R412 HydrophobicContact CG2-CG 3.97Å; V393-R412 PolarHBondContact N-O 2.86Å
413	V	91.5	Very high	89.4	Confident	60 Å²	60	43.2 Å²	43.2	36%	0.364	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	138.7	171.3	-175.5	0	0	0	0	110.6	L387 F390 V392 F410	L387-V413 HydrophobicContact CD2-CG2 3.53Å; F390-V413 HydrophobicContact CB-CG1 3.81Å; F390-V413 HydrophobicContact CD1-CG1 3.66Å; F390-V413 HydrophobicContact CG-CG1 3.94Å; V392-V413 HydrophobicContact CG2-CG2 4.45Å; F410-V413 HydrophobicContact CE2-CG2 4.05Å; F410-V413 HydrophobicContact CZ-CG2 3.97Å
414	L	91.2	Very high	89.9	Confident	30 Å²	30	43 Å²	43	16%	0.157	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-45	176.8	-63.3	-178.6	0	0	0	113.1	V346 R391 V393 A425 V429	V346-L414 HydrophobicContact CG1-CD1 4.13Å; V346-L414 HydrophobicContact CG2-CD1 3.71Å; R391-L414 HydrophobicContact CB-CB 4.18Å; R391-L414 PolarHBondContact O-N 2.82Å; V393-L414 HydrophobicContact CG2-CD1 3.82Å; V393-L414 HydrophobicContact CG2-CD2 3.68Å; V393-L414 HydrophobicContact CG2-CG 3.68Å; L414-A425 HydrophobicContact CB-CB 4.28Å; L414-A425 HydrophobicContact CD1-CB 4.5Å; L414-A425 HydrophobicContact CD2-CB 4.44Å; L414-V429 HydrophobicContact CD1-CB 4.48Å; L414-V429 HydrophobicContact CD1-CG2 4.2Å; L414-V429 HydrophobicContact CD2-CG2 4.17Å
415	G	91.8	Very high	90.2	Very high	12 Å²	12	41.3 Å²	41.3	12%	0.124	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.9	174.6	-174.2	0	0	0	0	0	112	F390 R391	F390-G415 CarbonylContact C-O 3.51Å; F390-G415 VanDerWaalsContact CA-O 3.27Å; F390-G415 WeakPolarHBondContact CA-O 3.48Å; F390-G415 WeakPolarHBondContact CD1-O 3.47Å; R391-G415 PolarHBondContact N-O 2.84Å
416	R	91.9	Very high	90.5	Very high	162 Å²	162	37.5 Å²	37.5	61%	0.611	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	147.7	177.3	-72.7	-174.8	174.6	-149.1	-1.4	110.8	D389 F390 G418 D419	D389-R416 WeakPolarHBondContact O-CA 3.49Å; F390-R416 HydrophobicContact CD1-CG 3.83Å; F390-R416 HydrophobicContact CE1-CG 3.4Å; F390-R416 HydrophobicContact CZ-CG 3.88Å; R416-G418 PolarHBondContact O-N 2.86Å; R416-D419 HydrophobicContact CB-CB 4.28Å; R416-D419 WeakPolarHBondContact O-CB 3.41Å; R416-D419 PolarHBondContact O-N 3.05Å
417	I	90.8	Very high	90.6	Very high	44 Å²	44	37.8 Å²	37.8	23%	0.226	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	129.7	176.5	-61.6	167.9	0	0	0	109.2	T348 D389 R391 D419 R961	T348-I417 HydrophobicContact CG2-CD1 3.87Å; T348-I417 HydrophobicContact CG2-CG1 4.33Å; D389-I417 PolarHBondContact O-N 2.78Å; R391-I417 HydrophobicContact CG-CG1 4.31Å; I417-D419 VanDerWaalsContact C-N 3.29Å; I417-D419 PolarHBondContact O-N 3.29Å; I417-R961 HydrophobicContact CD1-CG 3.9Å
418	G	86	Confident	90.9	Very high	37 Å²	37	37.7 Å²	37.7	38%	0.381	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	-5.5	-179.2	0	0	0	0	0	115.6	R416 E423	R416-G418 PolarHBondContact O-N 2.86Å; G418-E423 PolarHBondContact N-OE1 3.46Å; G418-E423 VanDerWaalsContact N-OE1 3.1Å
419	D	90.9	Very high	91.1	Very high	83 Å²	83	38.3 Å²	38.3	44%	0.444	20%	0.198	S	C	.	.			trans	-74.9	137.2	168.9	-179.1	29.3	0	0	0	110.4	R416 I417 E421 G422 E423	R416-D419 HydrophobicContact CB-CB 4.28Å; R416-D419 WeakPolarHBondContact O-CB 3.41Å; R416-D419 PolarHBondContact O-N 3.05Å; I417-D419 VanDerWaalsContact C-N 3.29Å; I417-D419 PolarHBondContact O-N 3.29Å; D419-E421 PolarHBondContact O-N 3.13Å; D419-G422 PolarHBondContact O-N 2.8Å; D419-E423 WeakPolarHBondContact O-CG 3.4Å; D419-E423 PolarHBondContact O-N 2.8Å
420	L	89.8	Confident	91.5	Very high	46 Å²	46	38.6 Å²	38.6	24%	0.241	20%	0.199	C	C	.	.	H	α-helix	trans	-59	-47.7	-174.9	175.9	63	0	0	0	111.4	G422 E423 I424 L857 F858 M861	L420-G422 VanDerWaalsContact C-N 3.31Å; L420-G422 PolarHBondContact O-N 2.64Å; L420-E423 PolarHBondContact O-N 3.4Å; L420-I424 HydrophobicContact CD1-CD1 4.42Å; L420-I424 HydrophobicContact CD1-CG1 3.95Å; L420-I424 HydrophobicContact CG-CG1 4.41Å; L420-I424 WeakPolarHBondContact O-CB 3.38Å; L420-I424 VanDerWaalsContact O-CG1 3.27Å; L420-I424 WeakPolarHBondContact O-CG1 3.36Å; L420-I424 PolarHBondContact O-N 2.78Å; L420-L857 HydrophobicContact CD1-CD2 4.33Å; L420-F858 HydrophobicContact CD1-CE2 4.04Å; L420-F858 HydrophobicContact CD1-CZ 3.85Å; L420-F858 HydrophobicContact CD2-CZ 4.42Å; L420-M861 HydrophobicContact CB-CE 4.16Å; L420-M861 HydrophobicContact CD1-CE 3.7Å; L420-M861 HydrophobicContact CD1-SD 3.92Å
421	E	91.4	Very high	91.7	Very high	92 Å²	92	39 Å²	39	43%	0.43	20%	0.202	S	C	.	.	H	α-helix	trans	-64	-38.2	179.8	-63.3	-57.2	137.3	0	0	111.7	D419 A425 R534	D419-E421 PolarHBondContact O-N 3.13Å; E421-A425 VanDerWaalsContact O-CB 3.27Å; E421-A425 WeakPolarHBondContact O-CB 3.44Å; E421-A425 PolarHBondContact O-N 3.24Å; E421-R534 IonicContact OE1-CZ 3.2Å; E421-R534 IonicContact OE1-NH1 3.86Å; E421-R534 PolarHBondContact OE1-NH1 2.87Å; E421-R534 IonicContact OE1-NH2 2.69Å; E421-R534 PolarHBondContact OE1-NH2 2.88Å; E421-R534 IonicContact OE2-CZ 3.83Å; E421-R534 IonicContact OE2-NH1 3.87Å; E421-R534 PolarHBondContact OE2-NH1 3.18Å; E421-R534 IonicContact OE2-NH2 3.72Å
422	G	92.3	Very high	92	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-65.3	-42.2	176.6	0	0	0	0	0	113.4	D419 L420 T426	D419-G422 PolarHBondContact O-N 2.8Å; L420-G422 VanDerWaalsContact C-N 3.31Å; L420-G422 PolarHBondContact O-N 2.64Å; G422-T426 WeakPolarHBondContact O-CB 3.41Å; G422-T426 PolarHBondContact O-N 3.22Å; G422-T426 PolarHBondContact O-OG1 3.29Å
423	E	93.4	Very high	92.2	Very high	11 Å²	11	34.9 Å²	34.9	5%	0.051	19%	0.192	C	C	.	.	H	α-helix	trans	-73.2	-37.4	178.2	-64.2	-59.7	150.4	0	0	111.8	R391 G418 D419 L420 T426 I427 L857	R391-E423 IonicContact CZ-OE1 2.88Å; R391-E423 IonicContact CZ-OE2 2.98Å; R391-E423 IonicContact NE-OE1 3.66Å; R391-E423 PolarHBondContact NE-OE1 3.37Å; R391-E423 IonicContact NE-OE2 3.96Å; R391-E423 IonicContact NH2-OE1 3.2Å; R391-E423 PolarHBondContact NH2-OE1 2.81Å; R391-E423 IonicContact NH2-OE2 3.33Å; R391-E423 PolarHBondContact NH2-OE2 3.41Å; G418-E423 PolarHBondContact N-OE1 3.46Å; G418-E423 VanDerWaalsContact N-OE1 3.1Å; D419-E423 WeakPolarHBondContact O-CG 3.4Å; D419-E423 PolarHBondContact O-N 2.8Å; L420-E423 PolarHBondContact O-N 3.4Å; E423-T426 WeakPolarHBondContact O-CB 3.37Å; E423-T426 PolarHBondContact O-N 3.21Å; E423-I427 WeakPolarHBondContact O-CG1 3.4Å; E423-I427 PolarHBondContact O-N 3.2Å; E423-L857 HydrophobicContact CB-CD1 4.2Å; E423-L857 HydrophobicContact CB-CD2 3.83Å; E423-L857 HydrophobicContact CG-CD1 4.49Å
424	I	94	Very high	91.8	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-63.8	-45.7	172.3	-67.3	-61.6	0	0	0	111	L420 T426 I427 L428 L531 L857 F858	L420-I424 HydrophobicContact CD1-CD1 4.42Å; L420-I424 HydrophobicContact CD1-CG1 3.95Å; L420-I424 HydrophobicContact CG-CG1 4.41Å; L420-I424 WeakPolarHBondContact O-CB 3.38Å; L420-I424 VanDerWaalsContact O-CG1 3.27Å; L420-I424 WeakPolarHBondContact O-CG1 3.36Å; L420-I424 PolarHBondContact O-N 2.78Å; I424-T426 PolarHBondContact O-N 3.05Å; I424-I427 HydrophobicContact CD1-CD1 4.46Å; I424-I427 PolarHBondContact O-N 2.99Å; I424-L428 HydrophobicContact CG2-CD1 4.31Å; I424-L428 WeakPolarHBondContact O-CG 3.39Å; I424-L428 PolarHBondContact O-N 3.33Å; I424-L531 HydrophobicContact CD1-CD1 4.29Å; I424-L531 HydrophobicContact CG2-CD1 3.65Å; I424-L857 HydrophobicContact CD1-CD2 3.92Å; I424-L857 HydrophobicContact CG1-CD2 4.44Å; I424-F858 HydrophobicContact CD1-CE2 4.3Å
425	A	93.9	Very high	91.3	Very high	27 Å²	27	36.2 Å²	36.2	22%	0.223	21%	0.205	C	C	.	.	H	α-helix	trans	-59.6	-37.2	174.8	0	0	0	0	0	111.8	L414 E421 L428 V429	L414-A425 HydrophobicContact CB-CB 4.28Å; L414-A425 HydrophobicContact CD1-CB 4.5Å; L414-A425 HydrophobicContact CD2-CB 4.44Å; E421-A425 VanDerWaalsContact O-CB 3.27Å; E421-A425 WeakPolarHBondContact O-CB 3.44Å; E421-A425 PolarHBondContact O-N 3.24Å; A425-L428 PolarHBondContact O-N 3.05Å; A425-V429 WeakPolarHBondContact O-CG2 3.48Å; A425-V429 PolarHBondContact O-N 3.41Å
426	T	95.1	Very high	90.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.2	-48.8	175	-63.7	0	0	0	0	111.5	V346 W370 G422 E423 I424 L428 V429 E430	V346-T426 HydrophobicContact CB-CG2 3.97Å; V346-T426 HydrophobicContact CG1-CG2 3.68Å; V346-T426 HydrophobicContact CG2-CG2 4.11Å; W370-T426 HydrophobicContact CB-CG2 4.46Å; W370-T426 HydrophobicContact CD2-CG2 3.93Å; W370-T426 HydrophobicContact CG-CG2 3.8Å; W370-T426 HydrophobicContact CZ2-CG2 4.49Å; G422-T426 WeakPolarHBondContact O-CB 3.41Å; G422-T426 PolarHBondContact O-N 3.22Å; G422-T426 PolarHBondContact O-OG1 3.29Å; E423-T426 WeakPolarHBondContact O-CB 3.37Å; E423-T426 PolarHBondContact O-N 3.21Å; I424-T426 PolarHBondContact O-N 3.05Å; T426-L428 VanDerWaalsContact C-N 3.32Å; T426-L428 PolarHBondContact O-N 3.39Å; T426-V429 PolarHBondContact O-N 2.98Å; T426-E430 HydrophobicContact CG2-CG 4.4Å; T426-E430 WeakPolarHBondContact O-CB 3.37Å; T426-E430 WeakPolarHBondContact O-CG 3.44Å; T426-E430 PolarHBondContact O-N 3.37Å
427	I	95.3	Very high	90.5	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.026	23%	0.228	C	C	.	.	H	α-helix	trans	-58.2	-44.3	177.3	-69.5	166.7	0	0	0	111	E423 I424 N431 Q853 L857	E423-I427 WeakPolarHBondContact O-CG1 3.4Å; E423-I427 PolarHBondContact O-N 3.2Å; I424-I427 HydrophobicContact CD1-CD1 4.46Å; I424-I427 PolarHBondContact O-N 2.99Å; I427-N431 PolarHBondContact O-N 3.1Å; I427-N431 PolarHBondContact O-ND2 3.49Å; I427-Q853 HydrophobicContact CD1-CB 4.16Å; I427-Q853 HydrophobicContact CG1-CB 4.18Å; I427-Q853 HydrophobicContact CG2-CB 3.98Å; I427-L857 HydrophobicContact CD1-CB 4.35Å; I427-L857 HydrophobicContact CD1-CD2 4Å
428	L	94.6	Very high	90.3	Very high	13 Å²	13	37.9 Å²	37.9	7%	0.068	23%	0.227	C	C	.	.	H	α-helix	trans	-63.5	-49.2	180	-65.8	172.4	0	0	0	111.8	I424 A425 T426 E430 N431 S432 I433 V435 L531 Y536	I424-L428 HydrophobicContact CG2-CD1 4.31Å; I424-L428 WeakPolarHBondContact O-CG 3.39Å; I424-L428 PolarHBondContact O-N 3.33Å; A425-L428 PolarHBondContact O-N 3.05Å; T426-L428 VanDerWaalsContact C-N 3.32Å; T426-L428 PolarHBondContact O-N 3.39Å; L428-E430 PolarHBondContact O-N 3.03Å; L428-N431 CarbonylContact O-C 3.59Å; L428-N431 PolarHBondContact O-N 3.14Å; L428-S432 PolarHBondContact O-N 2.75Å; L428-I433 CarbonylContact C-O 3.49Å; L428-I433 HydrophobicContact CB-CB 4.35Å; L428-I433 HydrophobicContact CD2-CB 4.23Å; L428-I433 HydrophobicContact CD2-CD1 4.42Å; L428-I433 HydrophobicContact CD2-CG2 3.9Å; L428-I433 WeakPolarHBondContact O-CB 3.29Å; L428-I433 PolarHBondContact O-N 2.9Å; L428-V435 HydrophobicContact CD1-CG2 4.27Å; L428-V435 HydrophobicContact CD2-CG2 4.5Å; L428-L531 HydrophobicContact CD2-CD1 4.43Å; L428-Y536 HydrophobicContact CD1-CD2 4.42Å; L428-Y536 HydrophobicContact CD1-CE2 3.67Å; L428-Y536 HydrophobicContact CD2-CD2 4.34Å; L428-Y536 HydrophobicContact CD2-CE2 4.19Å; L428-Y536 HydrophobicContact CG-CE2 4.49Å
429	V	93.8	Very high	90.1	Very high	15 Å²	15	38.1 Å²	38.1	9%	0.091	22%	0.223	C	C	.	.	H	α-helix	trans	-64.1	-42.6	-178.8	172.8	0	0	0	0	111.6	D344 V346 V393 L414 A425 T426 N431 S432	D344-V429 HydrophobicContact CB-CG1 4.06Å; V346-V429 HydrophobicContact CG2-CB 3.93Å; V346-V429 HydrophobicContact CG2-CG1 3.75Å; V393-V429 HydrophobicContact CG1-CG1 4.46Å; V393-V429 HydrophobicContact CG2-CG1 4.17Å; L414-V429 HydrophobicContact CD1-CB 4.48Å; L414-V429 HydrophobicContact CD1-CG2 4.2Å; L414-V429 HydrophobicContact CD2-CG2 4.17Å; A425-V429 WeakPolarHBondContact O-CG2 3.48Å; A425-V429 PolarHBondContact O-N 3.41Å; T426-V429 PolarHBondContact O-N 2.98Å; V429-N431 PolarHBondContact O-N 3.11Å; V429-S432 WeakPolarHBondContact O-CA 3.33Å; V429-S432 PolarHBondContact O-N 2.99Å
430	E	92.9	Very high	89.5	Confident	10 Å²	10	41.9 Å²	41.9	5%	0.047	24%	0.238	C	C	.	.	H	α-helix	trans	-61.3	-30.2	177.4	-78.2	-66.1	144.8	0	0	112.9	R343 V346 W370 T426 L428 S432	R343-E430 VanDerWaalsContact CZ-O 3.25Å; R343-E430 IonicContact CZ-OE2 3.61Å; R343-E430 PolarHBondContact NH1-O 3.29Å; R343-E430 IonicContact NH1-OE1 3.74Å; R343-E430 IonicContact NH1-OE2 2.7Å; R343-E430 PolarHBondContact NH1-OE2 3.49Å; R343-E430 PolarHBondContact NH2-O 3.04Å; R343-E430 IonicContact NH2-OE2 3.87Å; R343-E430 PolarHBondContact NH2-OE2 3.33Å; V346-E430 HydrophobicContact CB-CG 4.25Å; V346-E430 WeakPolarHBondContact CB-OE1 3.31Å; V346-E430 HydrophobicContact CG2-CG 4.06Å; V346-E430 PolarHBondContact N-OE1 3.11Å; W370-E430 HydrophobicContact CD2-CG 4.26Å; W370-E430 HydrophobicContact CE3-CB 4.33Å; W370-E430 HydrophobicContact CE3-CG 3.63Å; W370-E430 HydrophobicContact CZ3-CB 4.28Å; W370-E430 HydrophobicContact CZ3-CG 4.07Å; T426-E430 HydrophobicContact CG2-CG 4.4Å; T426-E430 WeakPolarHBondContact O-CB 3.37Å; T426-E430 WeakPolarHBondContact O-CG 3.44Å; T426-E430 PolarHBondContact O-N 3.37Å; L428-E430 PolarHBondContact O-N 3.03Å; E430-S432 VanDerWaalsContact C-N 3.28Å; E430-S432 PolarHBondContact O-N 3.32Å
431	N	92.8	Very high	88.9	Confident	17 Å²	17	41.9 Å²	41.9	9%	0.091	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	8.3	173.6	-75.4	-76	0	0	0	113.8	I427 L428 V429 I433 A846 H849 Q853	I427-N431 PolarHBondContact O-N 3.1Å; I427-N431 PolarHBondContact O-ND2 3.49Å; L428-N431 CarbonylContact O-C 3.59Å; L428-N431 PolarHBondContact O-N 3.14Å; V429-N431 PolarHBondContact O-N 3.11Å; N431-I433 HydrophobicContact CB-CD1 3.84Å; N431-I433 HydrophobicContact CB-CG1 4.02Å; N431-I433 PolarHBondContact O-N 2.94Å; N431-A846 HydrophobicContact CB-CB 4.32Å; N431-A846 WeakPolarHBondContact O-CB 3.44Å; N431-H849 WeakPolarHBondContact OD1-CB 3.18Å; N431-H849 PolarHBondContact OD1-CD2 2.94Å; N431-Q853 PolarHBondContact ND2-OE1 3.04Å
432	S	90.6	Very high	88.6	Confident	61 Å²	61	37.7 Å²	37.7	43%	0.427	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	29.8	-175.3	-52.3	0	0	0	0	113.2	L428 V429 E430 R843	L428-S432 PolarHBondContact O-N 2.75Å; V429-S432 WeakPolarHBondContact O-CA 3.33Å; V429-S432 PolarHBondContact O-N 2.99Å; E430-S432 VanDerWaalsContact C-N 3.28Å; E430-S432 PolarHBondContact O-N 3.32Å; S432-R843 PolarHBondContact O-NH1 3.27Å
433	I	91.7	Very high	88.3	Confident	5 Å²	5	41.2 Å²	41.2	3%	0.026	24%	0.242	C	C	.	.			trans	-94.1	120.7	175.8	-62.4	170	0	0	0	107.9	L428 N431 V435 Y529 A846	L428-I433 CarbonylContact C-O 3.49Å; L428-I433 HydrophobicContact CB-CB 4.35Å; L428-I433 HydrophobicContact CD2-CB 4.23Å; L428-I433 HydrophobicContact CD2-CD1 4.42Å; L428-I433 HydrophobicContact CD2-CG2 3.9Å; L428-I433 WeakPolarHBondContact O-CB 3.29Å; L428-I433 PolarHBondContact O-N 2.9Å; N431-I433 HydrophobicContact CB-CD1 3.84Å; N431-I433 HydrophobicContact CB-CG1 4.02Å; N431-I433 PolarHBondContact O-N 2.94Å; I433-V435 HydrophobicContact CG2-CG2 3.79Å; I433-Y529 HydrophobicContact CD1-CD1 3.83Å; I433-Y529 HydrophobicContact CD1-CE1 3.88Å; I433-Y529 HydrophobicContact CD1-CG 4.27Å; I433-Y529 HydrophobicContact CG1-CE1 4.12Å; I433-Y529 HydrophobicContact CG2-CD2 3.6Å; I433-Y529 HydrophobicContact CG2-CE1 4.33Å; I433-Y529 HydrophobicContact CG2-CE2 3.33Å; I433-Y529 HydrophobicContact CG2-CG 4.2Å; I433-A846 HydrophobicContact CD1-CB 4.24Å; I433-A846 HydrophobicContact CG1-CB 4.22Å
434	S	82.8	Confident	88	Confident	74 Å²	74	45.4 Å²	45.4	52%	0.517	27%	0.271	S	S	.	.			trans	-110.4	118.1	171.2	-173.9	0	0	0	0	107.9
435	V	80.6	Confident	87.7	Confident	44 Å²	44	48.4 Å²	48.4	27%	0.267	29%	0.285	S	S	.	.			trans	-108.3	98.1	175.1	-168.1	0	0	0	0	108.1	L428 I433 Y529 Y536	L428-V435 HydrophobicContact CD1-CG2 4.27Å; L428-V435 HydrophobicContact CD2-CG2 4.5Å; I433-V435 HydrophobicContact CG2-CG2 3.79Å; V435-Y529 HydrophobicContact CG2-CD2 4.25Å; V435-Y536 HydrophobicContact CB-CD1 4.16Å; V435-Y536 HydrophobicContact CB-CE1 4.45Å; V435-Y536 HydrophobicContact CB-CG 4.3Å; V435-Y536 HydrophobicContact CG1-CD1 3.5Å; V435-Y536 VanDerWaalsContact CG1-CD1 3.5Å; V435-Y536 HydrophobicContact CG1-CE1 4.11Å; V435-Y536 HydrophobicContact CG1-CG 3.83Å; V435-Y536 HydrophobicContact CG2-CD1 4.2Å; V435-Y536 HydrophobicContact CG2-CD2 4.03Å; V435-Y536 HydrophobicContact CG2-CE2 4.5Å; V435-Y536 HydrophobicContact CG2-CG 3.83Å
436	I	81.5	Confident	87.6	Confident	94 Å²	94	48.2 Å²	48.2	48%	0.482	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-99.2	140.7	175.4	-52.9	172.1	0	0	0	107	R525	I436-R525 PolarHBondContact O-NH2 2.98Å
437	P	86.1	Confident	87.3	Confident	114 Å²	114	49.9 Å²	49.9	74%	0.74	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-53.5	150.2	169.8	-25.5	35	0	0	0	111.6	S439	P437-S439 PolarHBondContact O-N 2.9Å
438	F	85.9	Confident	86.7	Confident	46 Å²	46	54 Å²	54	20%	0.202	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-64.5	129.9	174.6	-63.2	-77.9	0	0	0	109.8	Q442 M443 I518 E521 R525 P540	F438-Q442 VanDerWaalsContact CA-OE1 3.31Å; F438-Q442 HydrophobicContact CB-CB 4.46Å; F438-M443 HydrophobicContact CB-CG 4.35Å; F438-M443 HydrophobicContact CB-SD 4Å; F438-I518 HydrophobicContact CD1-CD1 3.74Å; F438-I518 HydrophobicContact CE1-CD1 3.82Å; F438-E521 HydrophobicContact CD1-CG 4.04Å; F438-E521 HydrophobicContact CE1-CG 3.78Å; F438-R525 VanDerWaalsContact CZ-NH1 3.29Å; F438-P540 HydrophobicContact CD1-CG 4.02Å; F438-P540 HydrophobicContact CD2-CB 4.1Å; F438-P540 HydrophobicContact CD2-CG 4.15Å; F438-P540 HydrophobicContact CE1-CG 4.08Å; F438-P540 HydrophobicContact CE2-CB 4.2Å; F438-P540 HydrophobicContact CE2-CG 4.22Å; F438-P540 HydrophobicContact CG-CB 4.42Å; F438-P540 HydrophobicContact CG-CG 4.05Å; F438-P540 HydrophobicContact CZ-CG 4.18Å
439	S	82.4	Confident	86.3	Confident	41 Å²	41	55.5 Å²	55.5	29%	0.287	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-67.1	159.3	178.9	63.7	0	0	0	0	112.2	P437 A441 Q442 M443	P437-S439 PolarHBondContact O-N 2.9Å; S439-A441 VanDerWaalsContact C-N 3.25Å; S439-A441 PolarHBondContact O-N 3.49Å; S439-Q442 WeakPolarHBondContact O-CB 3.43Å; S439-Q442 PolarHBondContact O-N 2.72Å; S439-Q442 VanDerWaalsContact OG-CG 3.3Å; S439-Q442 WeakPolarHBondContact OG-CG 3.05Å; S439-Q442 PolarHBondContact OG-N 3.41Å; S439-Q442 PolarHBondContact OG-OE1 2.87Å; S439-M443 WeakPolarHBondContact O-CG 3.33Å; S439-M443 PolarHBondContact O-N 3.27Å
440	E	78.8	Confident	85.8	Confident	163 Å²	163	57.4 Å²	57.4	76%	0.762	34%	0.336	S	S	*	.	H	α-helix	trans	-56.8	-39.3	175.9	-171.8	176.2	-168	0	0	112.3	Q442 M443 C444	E440-Q442 VanDerWaalsContact C-N 3.32Å; E440-Q442 PolarHBondContact O-N 3.23Å; E440-M443 PolarHBondContact O-N 3.23Å; E440-M443 VanDerWaalsContact O-N 3.16Å; E440-C444 PolarHBondContact O-N 3.49Å; E440-C444 PolarHBondContact O-SG 3.49Å
441	A	76.9	Confident	85.3	Confident	45 Å²	45	62.7 Å²	62.7	37%	0.372	37%	0.371	S	S	.	.	H	α-helix	trans	-61	-38.6	175.9	0	0	0	0	0	112.8	S439 Y517	S439-A441 VanDerWaalsContact C-N 3.25Å; S439-A441 PolarHBondContact O-N 3.49Å; A441-Y517 HydrophobicContact CB-CD2 4.5Å
442	Q	85.4	Confident	85.1	Confident	5 Å²	5	69.7 Å²	69.7	2%	0.023	40%	0.403	C	S	.	.	H	α-helix	trans	-69.5	-40.2	174.9	-71.2	160.4	-23.9	0	0	111.2	F438 S439 E440 C444 E445 I518 E521	F438-Q442 VanDerWaalsContact CA-OE1 3.31Å; F438-Q442 HydrophobicContact CB-CB 4.46Å; S439-Q442 WeakPolarHBondContact O-CB 3.43Å; S439-Q442 PolarHBondContact O-N 2.72Å; S439-Q442 VanDerWaalsContact OG-CG 3.3Å; S439-Q442 WeakPolarHBondContact OG-CG 3.05Å; S439-Q442 PolarHBondContact OG-N 3.41Å; S439-Q442 PolarHBondContact OG-OE1 2.87Å; E440-Q442 VanDerWaalsContact C-N 3.32Å; E440-Q442 PolarHBondContact O-N 3.23Å; Q442-C444 VanDerWaalsContact C-N 3.31Å; Q442-C444 PolarHBondContact O-N 3.4Å; Q442-E445 PolarHBondContact O-N 3.38Å; Q442-I518 HydrophobicContact CB-CD1 4.15Å; Q442-I518 HydrophobicContact CG-CD1 4.45Å; Q442-E521 PolarHBondContact NE2-OE2 3.31Å
443	M	86.7	Confident	84.8	Confident	75 Å²	75	71.4 Å²	71.4	37%	0.369	41%	0.407	S	S	.	.	H	α-helix	trans	-68.5	-29.9	178	-65.6	-56.4	-63.8	0	0	112.5	F438 S439 E440 E445 M446 P540 V542	F438-M443 HydrophobicContact CB-CG 4.35Å; F438-M443 HydrophobicContact CB-SD 4Å; S439-M443 WeakPolarHBondContact O-CG 3.33Å; S439-M443 PolarHBondContact O-N 3.27Å; E440-M443 PolarHBondContact O-N 3.23Å; E440-M443 VanDerWaalsContact O-N 3.16Å; M443-E445 PolarHBondContact O-N 2.84Å; M443-M446 HydrophobicContact CE-CG 4.34Å; M443-M446 VanDerWaalsContact O-CB 3.28Å; M443-M446 WeakPolarHBondContact O-CB 3.27Å; M443-M446 WeakPolarHBondContact O-CG 3.43Å; M443-M446 PolarHBondContact O-N 2.99Å; M443-M446 VanDerWaalsContact O-N 3.1Å; M443-M446 HydrophobicContact SD-CG 4.44Å; M443-P540 HydrophobicContact SD-CB 4Å; M443-P540 HydrophobicContact SD-CG 4.39Å; M443-V542 HydrophobicContact CE-CG2 4.17Å
444	C	86.4	Confident	84.6	Confident	98 Å²	98	73.9 Å²	73.9	66%	0.662	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-19.8	174.4	-70.6	0	0	0	0	113.7	E440 Q442 M446	E440-C444 PolarHBondContact O-N 3.49Å; E440-C444 PolarHBondContact O-SG 3.49Å; Q442-C444 VanDerWaalsContact C-N 3.31Å; Q442-C444 PolarHBondContact O-N 3.4Å; C444-M446 VanDerWaalsContact C-N 3.26Å
445	E	87.8	Confident	85	Confident	64 Å²	64	72.5 Å²	72.5	30%	0.299	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-10.8	173.1	-62.6	-169.2	156.2	0	0	112.7	Q442 M443 S516 Y517 I518	Q442-E445 PolarHBondContact O-N 3.38Å; M443-E445 PolarHBondContact O-N 2.84Å; E445-S516 VanDerWaalsContact OE1-CB 3.29Å; E445-S516 WeakPolarHBondContact OE1-CB 3.4Å; E445-S516 VanDerWaalsContact OE2-CB 3.26Å; E445-S516 WeakPolarHBondContact OE2-CB 3.43Å; E445-S516 PolarHBondContact OE2-OG 2.86Å; E445-Y517 HydrophobicContact CG-CD2 4.29Å; E445-Y517 WeakPolarHBondContact OE1-CD2 3.33Å; E445-Y517 PolarHBondContact OE1-N 3.42Å; E445-Y517 PolarHBondContact OE2-N 2.82Å; E445-Y517 VanDerWaalsContact OE2-N 3.17Å; E445-I518 PolarHBondContact OE2-N 2.85Å
446	M	90.9	Very high	85.4	Confident	24 Å²	24	78 Å²	78	12%	0.118	43%	0.427	C	S	.	.	S	Bend	trans	-74.3	139.4	-174.9	-59.9	-62.8	94.8	0	0	111.3	M443 C444 I518 P540 V542 L543	M443-M446 HydrophobicContact CE-CG 4.34Å; M443-M446 VanDerWaalsContact O-CB 3.28Å; M443-M446 WeakPolarHBondContact O-CB 3.27Å; M443-M446 WeakPolarHBondContact O-CG 3.43Å; M443-M446 PolarHBondContact O-N 2.99Å; M443-M446 VanDerWaalsContact O-N 3.1Å; M443-M446 HydrophobicContact SD-CG 4.44Å; C444-M446 VanDerWaalsContact C-N 3.26Å; M446-I518 HydrophobicContact CE-CB 4.22Å; M446-I518 HydrophobicContact CE-CG1 4.19Å; M446-I518 HydrophobicContact CE-CG2 4.2Å; M446-P540 HydrophobicContact CE-CG 4.32Å; M446-P540 HydrophobicContact SD-CB 4.04Å; M446-P540 HydrophobicContact SD-CG 3.79Å; M446-V542 HydrophobicContact CB-CG1 4.36Å; M446-L543 HydrophobicContact CE-CD1 3.83Å; M446-L543 HydrophobicContact CE-CG 4.41Å; M446-L543 HydrophobicContact SD-CD1 3.7Å; M446-L543 HydrophobicContact SD-CD2 4.34Å; M446-L543 HydrophobicContact SD-CG 3.63Å
447	P	88.4	Confident	85.7	Confident	35 Å²	35	74.6 Å²	74.6	23%	0.227	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-59.2	145.5	171	-19.7	30.7	0	0	0	111.2	N449 F511 L547	P447-N449 PolarHBondContact O-N 2.8Å; P447-F511 HydrophobicContact CG-CD1 3.67Å; P447-F511 HydrophobicContact CG-CE1 4.12Å; P447-L547 HydrophobicContact CB-CD1 3.8Å; P447-L547 HydrophobicContact CG-CD1 3.76Å
448	V	84.6	Confident	86	Confident	91 Å²	91	71.5 Å²	71.5	55%	0.552	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-67	118.1	173.2	-177.9	0	0	0	0	108.8	T450 N453	V448-T450 HydrophobicContact CG1-CG2 4.42Å; V448-N453 HydrophobicContact CG1-CB 4.27Å
449	N	84.9	Confident	86.2	Confident	44 Å²	44	79.3 Å²	79.3	24%	0.235	42%	0.42	C	S	.	.			trans	-142.5	91.2	175.5	-174.2	34.2	0	0	0	108.6	P447 W455 D546 L547	P447-N449 PolarHBondContact O-N 2.8Å; N449-W455 HydrophobicContact CB-CB 4.05Å; N449-W455 PolarHBondContact OD1-N 3.05Å; N449-D546 PolarHBondContact ND2-OD2 3.49Å; N449-L547 HydrophobicContact CB-CD1 4.3Å; N449-L547 HydrophobicContact CB-CD2 4.06Å; N449-L547 HydrophobicContact CB-CG 4.42Å; N449-L547 WeakPolarHBondContact ND2-CD2 3.19Å
450	T	84.1	Confident	86.6	Confident	56 Å²	56	83.6 Å²	83.6	34%	0.344	44%	0.436	S	S	.	.			trans	-126	157.7	-177.5	53.6	0	0	0	0	109.2	V448 E452 N453 P454	V448-T450 HydrophobicContact CG1-CG2 4.42Å; T450-E452 PolarHBondContact O-N 3.38Å; T450-E452 VanDerWaalsContact O-N 3.17Å; T450-N453 PolarHBondContact N-O 3.46Å; T450-N453 CarbonylContact O-C 3.54Å; T450-N453 PolarHBondContact O-N 3.31Å; T450-N453 VanDerWaalsContact O-N 3.1Å; T450-N453 PolarHBondContact OG1-N 2.95Å; T450-N453 PolarHBondContact OG1-O 2.92Å; T450-P454 VanDerWaalsContact O-CA 3.29Å; T450-P454 WeakPolarHBondContact O-CA 3.21Å
451	P	82.9	Confident	87.3	Confident	121 Å²	121	76.8 Å²	76.8	79%	0.786	40%	0.404	S	S	*	.	S	Bend	trans	-53.5	-34.7	174.4	-26.6	35.8	0	0	0	113.2
452	E	87.3	Confident	87.9	Confident	163 Å²	163	78.2 Å²	78.2	76%	0.762	40%	0.403	S	S	*	.	S	Bend	trans	-78.1	-33.9	179	-59.8	71.8	-153.6	0	0	112.7	T450	T450-E452 PolarHBondContact O-N 3.38Å; T450-E452 VanDerWaalsContact O-N 3.17Å
453	N	84.6	Confident	88.2	Confident	97 Å²	97	86.1 Å²	86.1	52%	0.519	44%	0.44	S	S	.	.	S	Bend	trans	-132.2	78.7	177.1	-171.3	33.1	0	0	0	110.2	V448 T450	V448-N453 HydrophobicContact CG1-CB 4.27Å; T450-N453 PolarHBondContact N-O 3.46Å; T450-N453 CarbonylContact O-C 3.54Å; T450-N453 PolarHBondContact O-N 3.31Å; T450-N453 VanDerWaalsContact O-N 3.1Å; T450-N453 PolarHBondContact OG1-N 2.95Å; T450-N453 PolarHBondContact OG1-O 2.92Å
454	P	87.4	Confident	88.4	Confident	58 Å²	58	89.4 Å²	89.4	38%	0.377	45%	0.452	S	S	.	.			trans	-73.1	143.3	-177.4	28.1	-34.4	0	0	0	110.3	T450	T450-P454 VanDerWaalsContact O-CA 3.29Å; T450-P454 WeakPolarHBondContact O-CA 3.21Å
455	W	91.1	Very high	88.9	Confident	45 Å²	45	85.4 Å²	85.4	17%	0.17	42%	0.423	C	S	.	.			trans	-63.2	139.5	177.8	-177.3	90.8	0	0	0	111.3	N449 V457 F511 L547 Y557	N449-W455 HydrophobicContact CB-CB 4.05Å; N449-W455 PolarHBondContact OD1-N 3.05Å; W455-V457 HydrophobicContact CH2-CG2 4.2Å; W455-V457 HydrophobicContact CZ3-CG2 4.2Å; W455-F511 AromaticContact CE2-CE1 3.99Å; W455-F511 HydrophobicContact CH2-CZ 4.29Å; W455-F511 AromaticContact CZ2-CE1 3.94Å; W455-F511 HydrophobicContact CZ2-CE1 3.94Å; W455-F511 AromaticContact CZ2-CZ 3.74Å; W455-F511 HydrophobicContact CZ2-CZ 3.74Å; W455-F511 AromaticContact NE1-CE1 3.87Å; W455-L547 HydrophobicContact CB-CD2 3.45Å; W455-L547 VanDerWaalsContact CB-CD2 3.45Å; W455-L547 HydrophobicContact CD2-CD2 3.86Å; W455-L547 HydrophobicContact CE3-CD2 4.2Å; W455-L547 HydrophobicContact CG-CD2 3.54Å; W455-Y557 AromaticContact CH2-CD2 3.79Å; W455-Y557 HydrophobicContact CH2-CD2 3.79Å; W455-Y557 AromaticContact CH2-CE2 3.59Å; W455-Y557 HydrophobicContact CH2-CE2 3.59Å; W455-Y557 HydrophobicContact CH2-CG 4.33Å; W455-Y557 AromaticContact CH2-CZ 3.95Å; W455-Y557 AromaticContact CZ2-CD2 3.83Å; W455-Y557 HydrophobicContact CZ2-CD2 3.83Å; W455-Y557 AromaticContact CZ2-CE2 3.38Å; W455-Y557 HydrophobicContact CZ2-CE2 3.38Å
456	K	88.5	Confident	89.3	Confident	158 Å²	158	86.2 Å²	86.2	69%	0.687	43%	0.426	S	S	*	.			trans	-136.6	151.6	178.8	-67.4	178.4	-175.2	173.8	0	110.5	S458	K456-S458 PolarHBondContact O-N 3.4Å
457	V	89.4	Confident	89.5	Confident	24 Å²	24	88.2 Å²	88.2	15%	0.145	44%	0.437	C	S	.	.			trans	-56.7	125.7	171.3	-178.6	0	0	0	0	109.6	W455 E462 D555 Y557 I581	W455-V457 HydrophobicContact CH2-CG2 4.2Å; W455-V457 HydrophobicContact CZ3-CG2 4.2Å; V457-E462 HydrophobicContact CG1-CG 3.5Å; V457-E462 VanDerWaalsContact CG1-CG 3.5Å; V457-D555 HydrophobicContact CG2-CB 3.79Å; V457-Y557 HydrophobicContact CG1-CE1 3.72Å; V457-Y557 HydrophobicContact CG2-CE1 4.42Å; V457-I581 HydrophobicContact CG1-CD1 3.8Å; V457-I581 HydrophobicContact CG1-CG1 4.47Å; V457-I581 HydrophobicContact CG2-CG2 4.35Å
458	S	90.8	Very high	89.9	Confident	49 Å²	49	86.6 Å²	86.6	34%	0.343	43%	0.426	S	S	.	.			trans	-75.6	145.4	177.4	72.7	0	0	0	0	111.8	K456 E460 E461 E462 Y557	K456-S458 PolarHBondContact O-N 3.4Å; S458-E460 PolarHBondContact O-N 3.28Å; S458-E461 PolarHBondContact O-N 2.92Å; S458-E461 VanDerWaalsContact O-N 3.15Å; S458-E461 WeakPolarHBondContact OG-CB 3.43Å; S458-E461 VanDerWaalsContact OG-CG 3.25Å; S458-E461 WeakPolarHBondContact OG-CG 3.45Å; S458-E461 PolarHBondContact OG-N 3Å; S458-E462 PolarHBondContact O-N 3.37Å; S458-Y557 PolarHBondContact N-OH 3.07Å; S458-Y557 PolarHBondContact OG-OH 3.1Å
459	R	91.3	Very high	90.4	Very high	209 Å²	209	85.2 Å²	85.2	79%	0.789	41%	0.411	S	S	*	.	H	α-helix	trans	-59.7	-32.1	178.4	-69.5	-175	178	-178.7	0.2	113.1	Q463	R459-Q463 WeakPolarHBondContact O-CG 3.42Å; R459-Q463 PolarHBondContact O-N 3.15Å
460	E	91.4	Very high	90.8	Very high	131 Å²	131	92.9 Å²	92.9	61%	0.612	44%	0.443	S	S	*	.	H	α-helix	trans	-67.4	-40.6	178.1	-64	178.4	-166.4	0	0	111.7	S458 Q463 K464	S458-E460 PolarHBondContact O-N 3.28Å; E460-Q463 PolarHBondContact O-N 2.94Å; E460-K464 WeakPolarHBondContact O-CG 3.43Å; E460-K464 PolarHBondContact O-N 3.08Å
461	E	91.7	Very high	91.2	Very high	20 Å²	20	92.8 Å²	92.8	9%	0.093	44%	0.444	C	S	.	.	H	α-helix	trans	-75	-31.6	178.1	-68.9	-65.3	113.3	0	0	111.8	S458 Q463 K464 R465 H510 Y557	S458-E461 PolarHBondContact O-N 2.92Å; S458-E461 VanDerWaalsContact O-N 3.15Å; S458-E461 WeakPolarHBondContact OG-CB 3.43Å; S458-E461 VanDerWaalsContact OG-CG 3.25Å; S458-E461 WeakPolarHBondContact OG-CG 3.45Å; S458-E461 PolarHBondContact OG-N 3Å; E461-Q463 PolarHBondContact O-N 3.33Å; E461-K464 PolarHBondContact O-N 3.17Å; E461-K464 VanDerWaalsContact O-N 3.16Å; E461-K464 IonicContact OE1-NZ 3.01Å; E461-K464 PolarHBondContact OE1-NZ 3.46Å; E461-R465 VanDerWaalsContact O-CB 3.32Å; E461-R465 WeakPolarHBondContact O-CB 3.45Å; E461-R465 WeakPolarHBondContact O-CG 3.28Å; E461-R465 PolarHBondContact O-N 3.46Å; E461-R465 IonicContact OE2-CZ 3.56Å; E461-R465 IonicContact OE2-NE 3.79Å; E461-R465 PolarHBondContact OE2-NE 3.24Å; E461-R465 IonicContact OE2-NH2 2.83Å; E461-R465 PolarHBondContact OE2-NH2 3.46Å; E461-R465 VanDerWaalsContact OE2-NH2 3.13Å; E461-H510 IonicContact OE2-CE1 3.34Å; E461-H510 IonicContact OE2-ND1 3.87Å; E461-Y557 HydrophobicContact CB-CE1 3.81Å; E461-Y557 WeakPolarHBondContact CB-OH 2.91Å; E461-Y557 HydrophobicContact CG-CE1 4.46Å; E461-Y557 HydrophobicContact CG-CE2 4.41Å
462	E	91.1	Very high	91.8	Very high	76 Å²	76	87.9 Å²	87.9	36%	0.355	41%	0.411	S	S	.	.	H	α-helix	trans	-57.8	-31.6	170.7	-70.4	-166.6	140.8	0	0	112.8	V457 S458 R469 I581	V457-E462 HydrophobicContact CG1-CG 3.5Å; V457-E462 VanDerWaalsContact CG1-CG 3.5Å; S458-E462 PolarHBondContact O-N 3.37Å; E462-R469 IonicContact OE1-CZ 2.91Å; E462-R469 IonicContact OE1-NH1 3.69Å; E462-R469 PolarHBondContact OE1-NH1 2.93Å; E462-R469 VanDerWaalsContact OE1-NH1 3.11Å; E462-R469 IonicContact OE1-NH2 2.92Å; E462-R469 PolarHBondContact OE1-NH2 3.21Å; E462-I581 HydrophobicContact CB-CD1 4.3Å; E462-I581 HydrophobicContact CG-CD1 3.92Å
463	Q	91.8	Very high	92.2	Very high	170 Å²	170	81.3 Å²	81.3	79%	0.794	38%	0.381	S	S	*	.	H	α-helix	trans	-81	-29.2	177.7	-68	177.2	-1.8	0	0	113.2	R459 E460 E461	R459-Q463 WeakPolarHBondContact O-CG 3.42Å; R459-Q463 PolarHBondContact O-N 3.15Å; E460-Q463 PolarHBondContact O-N 2.94Å; E461-Q463 PolarHBondContact O-N 3.33Å
464	K	91.1	Very high	92.7	Very high	145 Å²	145	76.7 Å²	76.7	63%	0.63	36%	0.356	S	S	*	.	H	α-helix	trans	-88.8	-31.1	-176.5	-68.2	172.3	-165.7	157.1	0	113.1	E460 E461	E460-K464 WeakPolarHBondContact O-CG 3.43Å; E460-K464 PolarHBondContact O-N 3.08Å; E461-K464 PolarHBondContact O-N 3.17Å; E461-K464 VanDerWaalsContact O-N 3.16Å; E461-K464 IonicContact OE1-NZ 3.01Å; E461-K464 PolarHBondContact OE1-NZ 3.46Å
465	R	95.2	Very high	93.1	Very high	13 Å²	13	74 Å²	74	5%	0.049	34%	0.338	C	S	.	.	S	Bend	trans	-95.1	150.5	-174.1	-62.6	-179.2	176.3	-104.9	-1	111.1	E461 D467 D507 H510 Y557 R579 I581	E461-R465 VanDerWaalsContact O-CB 3.32Å; E461-R465 WeakPolarHBondContact O-CB 3.45Å; E461-R465 WeakPolarHBondContact O-CG 3.28Å; E461-R465 PolarHBondContact O-N 3.46Å; E461-R465 IonicContact OE2-CZ 3.56Å; E461-R465 IonicContact OE2-NE 3.79Å; E461-R465 PolarHBondContact OE2-NE 3.24Å; E461-R465 IonicContact OE2-NH2 2.83Å; E461-R465 PolarHBondContact OE2-NH2 3.46Å; E461-R465 VanDerWaalsContact OE2-NH2 3.13Å; R465-D467 PolarHBondContact O-N 3.37Å; R465-D507 IonicContact CZ-OD2 2.7Å; R465-D507 IonicContact NH1-OD2 2.74Å; R465-D507 PolarHBondContact NH1-OD2 3.4Å; R465-D507 IonicContact NH2-OD2 3.87Å; R465-D507 PolarHBondContact NH2-OD2 3.03Å; R465-H510 PolarHBondContact NH2-ND1 3Å; R465-Y557 VanDerWaalsContact CD-CD1 3.48Å; R465-R579 HydrophobicContact CG-CB 4.02Å; R465-I581 HydrophobicContact CB-CD1 4.01Å; R465-I581 HydrophobicContact CB-CG1 3.84Å; R465-I581 HydrophobicContact CG-CG1 4.42Å
466	K	96.3	Very high	93.3	Very high	81 Å²	81	71.9 Å²	71.9	35%	0.352	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	121.4	171.9	-175.7	177.6	176.4	-175.7	0	109.2	L468 M562 W576 R579 T580 I581	K466-L468 HydrophobicContact CD-CD2 4.1Å; K466-L468 HydrophobicContact CG-CD2 3.89Å; K466-M562 HydrophobicContact CD-CE 4.07Å; K466-W576 HydrophobicContact CB-CH2 4.13Å; K466-W576 HydrophobicContact CB-CZ2 4.21Å; K466-W576 HydrophobicContact CD-CH2 4.03Å; K466-W576 HydrophobicContact CD-CZ2 3.81Å; K466-R579 PolarHBondContact N-O 3.35Å; K466-R579 VanDerWaalsContact N-O 3.08Å; K466-T580 HydrophobicContact CB-CG2 4.28Å; K466-T580 CarbonylContact O-C 2.98Å; K466-T580 WeakPolarHBondContact O-CA 3.47Å; K466-T580 WeakPolarHBondContact O-CB 3.38Å; K466-I581 PolarHBondContact O-N 3.21Å
467	D	96.7	Very high	93.6	Very high	67 Å²	67	64.7 Å²	64.7	36%	0.358	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	117.7	-179.2	-169.7	-9.6	0	0	0	111.1	R465 R469	R465-D467 PolarHBondContact O-N 3.37Å; D467-R469 WeakPolarHBondContact OD1-CB 3.34Å; D467-R469 VanDerWaalsContact OD1-CG 3.26Å; D467-R469 WeakPolarHBondContact OD1-CG 3.34Å; D467-R469 IonicContact OD1-CZ 3.11Å; D467-R469 PolarHBondContact OD1-N 3.49Å; D467-R469 IonicContact OD1-NE 3.7Å; D467-R469 PolarHBondContact OD1-NE 2.86Å; D467-R469 IonicContact OD1-NH2 3.95Å; D467-R469 IonicContact OD2-CZ 3.48Å; D467-R469 IonicContact OD2-NE 2.8Å; D467-R469 PolarHBondContact OD2-NE 2.87Å; D467-R469 VanDerWaalsContact OD2-NE 3.15Å; D467-R469 IonicContact OD2-NH2 2.72Å; D467-R469 PolarHBondContact OD2-NH2 3.48Å
468	L	96.7	Very high	93.7	Very high	0 Å²	0	64 Å²	64	0%	0	30%	0.295	C	S	.	.			trans	-107.6	-4.9	-180	-51.9	-173.9	0	0	0	113.1	K466 K470 S471 H472 H504 M562 T580 I581 I582	K466-L468 HydrophobicContact CD-CD2 4.1Å; K466-L468 HydrophobicContact CG-CD2 3.89Å; L468-K470 PolarHBondContact O-N 3.17Å; L468-S471 WeakPolarHBondContact CA-OG 3.4Å; L468-S471 PolarHBondContact O-N 2.98Å; L468-S471 VanDerWaalsContact O-N 3.15Å; L468-S471 PolarHBondContact O-OG 2.87Å; L468-H472 HydrophobicContact CB-CB 4.44Å; L468-H472 PolarHBondContact O-N 3.22Å; L468-H504 VanDerWaalsContact CD1-CE1 3.47Å; L468-H504 WeakPolarHBondContact CD1-CE1 3.15Å; L468-M562 HydrophobicContact CD1-SD 4.23Å; L468-M562 HydrophobicContact CD2-SD 4.49Å; L468-T580 HydrophobicContact CD1-CG2 3.74Å; L468-T580 HydrophobicContact CG-CG2 4.1Å; L468-I581 PolarHBondContact N-O 2.65Å; L468-I582 HydrophobicContact CB-CG2 4.17Å; L468-I582 HydrophobicContact CD1-CG2 4.03Å; L468-I582 HydrophobicContact CG-CG2 4.45Å
469	R	94.8	Very high	93.5	Very high	62 Å²	62	64.7 Å²	64.7	23%	0.234	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-30.8	-168.6	-66	176.8	-71.4	-169.7	-5	114.8	E462 D467 D555 I581 R583	E462-R469 IonicContact OE1-CZ 2.91Å; E462-R469 IonicContact OE1-NH1 3.69Å; E462-R469 PolarHBondContact OE1-NH1 2.93Å; E462-R469 VanDerWaalsContact OE1-NH1 3.11Å; E462-R469 IonicContact OE1-NH2 2.92Å; E462-R469 PolarHBondContact OE1-NH2 3.21Å; D467-R469 WeakPolarHBondContact OD1-CB 3.34Å; D467-R469 VanDerWaalsContact OD1-CG 3.26Å; D467-R469 WeakPolarHBondContact OD1-CG 3.34Å; D467-R469 IonicContact OD1-CZ 3.11Å; D467-R469 PolarHBondContact OD1-N 3.49Å; D467-R469 IonicContact OD1-NE 3.7Å; D467-R469 PolarHBondContact OD1-NE 2.86Å; D467-R469 IonicContact OD1-NH2 3.95Å; D467-R469 IonicContact OD2-CZ 3.48Å; D467-R469 IonicContact OD2-NE 2.8Å; D467-R469 PolarHBondContact OD2-NE 2.87Å; D467-R469 VanDerWaalsContact OD2-NE 3.15Å; D467-R469 IonicContact OD2-NH2 2.72Å; D467-R469 PolarHBondContact OD2-NH2 3.48Å; R469-D555 WeakPolarHBondContact CD-OD2 3.49Å; R469-D555 IonicContact CZ-OD2 3.09Å; R469-D555 IonicContact NE-OD2 3.98Å; R469-D555 IonicContact NH1-OD2 2.88Å; R469-D555 PolarHBondContact NH1-OD2 3.27Å; R469-I581 HydrophobicContact CG-CG2 3.99Å; R469-R583 HydrophobicContact CB-CB 4.35Å; R469-R583 HydrophobicContact CG-CB 4.09Å
470	K	92.6	Very high	93.1	Very high	206 Å²	206	61.5 Å²	61.5	90%	0.896	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	-14.2	-177.6	-62.4	-176.7	-178.4	178.1	0	113.8	L468	L468-K470 PolarHBondContact O-N 3.17Å
471	S	92.6	Very high	92.5	Very high	54 Å²	54	58.6 Å²	58.6	38%	0.378	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-14.3	-168.8	54.8	0	0	0	0	113.2	L468 R492	L468-S471 WeakPolarHBondContact CA-OG 3.4Å; L468-S471 PolarHBondContact O-N 2.98Å; L468-S471 VanDerWaalsContact O-N 3.15Å; L468-S471 PolarHBondContact O-OG 2.87Å; S471-R492 PolarHBondContact O-NH1 2.92Å
472	H	95	Very high	92	Very high	18 Å²	18	58.6 Å²	58.6	8%	0.083	30%	0.297	C	S	.	.	S	Bend	trans	-133.2	139.9	-176.9	-63	68.4	0	0	0	110	L468 V474 R492 E500	L468-H472 HydrophobicContact CB-CB 4.44Å; L468-H472 PolarHBondContact O-N 3.22Å; H472-V474 HydrophobicContact CB-CG2 3.91Å; H472-V474 PolarHBondContact O-N 3.45Å; H472-R492 VanDerWaalsContact NE2-CZ 3.33Å; H472-R492 PolarHBondContact NE2-NE 3.3Å; H472-R492 VanDerWaalsContact NE2-NE 3.17Å; H472-E500 IonicContact NE2-OE1 3.47Å; H472-E500 PolarHBondContact NE2-OE1 3.5Å; H472-E500 VanDerWaalsContact NE2-OE1 3.16Å
473	L	95.4	Very high	91.6	Very high	24 Å²	24	60 Å²	60	13%	0.126	30%	0.304	C	S	.	.			trans	-81.6	104.7	161.7	178.2	64.2	0	0	0	108.1	F475 S490 A585 Y586 E624 A628	L473-F475 HydrophobicContact CG-CD1 4.31Å; L473-S490 WeakPolarHBondContact O-CA 3.39Å; L473-S490 WeakPolarHBondContact O-CB 3.5Å; L473-A585 HydrophobicContact CD1-CB 3.59Å; L473-Y586 HydrophobicContact CD1-CD2 4.22Å; L473-Y586 HydrophobicContact CD1-CE2 3.73Å; L473-Y586 HydrophobicContact CD2-CE2 4.48Å; L473-E624 HydrophobicContact CD2-CG 3.86Å; L473-A628 HydrophobicContact CD2-CB 4.38Å
474	V	96.8	Very high	91.3	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	134.5	179.6	-179	0	0	0	0	109.1	H472 T488 L489 I582 S584 A585	H472-V474 HydrophobicContact CB-CG2 3.91Å; H472-V474 PolarHBondContact O-N 3.45Å; V474-T488 VanDerWaalsContact CG1-CB 3.49Å; V474-T488 HydrophobicContact CG1-CG2 4.09Å; V474-T488 WeakPolarHBondContact CG1-OG1 3.36Å; V474-L489 WeakPolarHBondContact CA-O 3.46Å; V474-I582 HydrophobicContact CG1-CB 4.46Å; V474-I582 HydrophobicContact CG1-CD1 4.04Å; V474-I582 HydrophobicContact CG2-CG2 4.49Å; V474-S584 CarbonylContact O-C 3.49Å; V474-A585 WeakPolarHBondContact O-CB 3.44Å; V474-A585 PolarHBondContact O-N 2.97Å
475	F	95.7	Very high	91.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	161	176.8	59	-83.7	0	0	0	111.9	L473 I477 T488 L489 Y586 L588 L625 A628 I629 L632	L473-F475 HydrophobicContact CG-CD1 4.31Å; F475-I477 HydrophobicContact CD2-CG1 4.16Å; F475-I477 HydrophobicContact CE2-CD1 4.07Å; F475-I477 HydrophobicContact CE2-CG1 4.14Å; F475-T488 CarbonylContact O-C 3.6Å; F475-T488 VanDerWaalsContact O-CA 3.28Å; F475-T488 WeakPolarHBondContact O-CA 3.25Å; F475-T488 WeakPolarHBondContact O-CB 3.41Å; F475-L489 PolarHBondContact N-O 3.42Å; F475-L489 PolarHBondContact O-N 2.88Å; F475-Y586 WeakPolarHBondContact CA-O 3.38Å; F475-Y586 HydrophobicContact CB-CD2 4.22Å; F475-Y586 WeakPolarHBondContact CB-O 3.3Å; F475-L588 HydrophobicContact CD2-CD1 4.15Å; F475-L588 HydrophobicContact CE2-CD1 4.5Å; F475-L625 HydrophobicContact CD1-CD1 4.24Å; F475-L625 HydrophobicContact CD2-CD1 4.38Å; F475-L625 HydrophobicContact CE1-CD1 4.3Å; F475-L625 HydrophobicContact CE2-CD1 4.42Å; F475-L625 HydrophobicContact CG-CD1 4.27Å; F475-L625 HydrophobicContact CZ-CD1 4.36Å; F475-A628 HydrophobicContact CE1-CB 3.93Å; F475-A628 HydrophobicContact CZ-CB 4.19Å; F475-I629 HydrophobicContact CE2-CG1 4.01Å; F475-I629 HydrophobicContact CZ-CG1 4.07Å; F475-L632 HydrophobicContact CE1-CD1 4.24Å; F475-L632 HydrophobicContact CE2-CD1 4.19Å; F475-L632 HydrophobicContact CZ-CD1 3.47Å; F475-L632 VanDerWaalsContact CZ-CD1 3.47Å
476	S	95	Very high	91.3	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.007	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	155	174.4	80.7	0	0	0	0	111.8	D478 D487 Y586 L588	S476-D478 WeakPolarHBondContact CB-OD2 3.46Å; S476-D478 PolarHBondContact OG-OD2 3.39Å; S476-D487 WeakPolarHBondContact CB-O 3.39Å; S476-Y586 PolarHBondContact N-O 2.78Å; S476-L588 WeakPolarHBondContact O-CB 3.42Å; S476-L588 PolarHBondContact O-N 3.49Å
477	I	93.7	Very high	91.3	Very high	7 Å²	7	42.4 Å²	42.4	4%	0.036	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	108.9	171.6	-50.7	176.6	0	0	0	108.3	F475 L588 Y590 A593 V677 V681	F475-I477 HydrophobicContact CD2-CG1 4.16Å; F475-I477 HydrophobicContact CE2-CD1 4.07Å; F475-I477 HydrophobicContact CE2-CG1 4.14Å; I477-L588 WeakPolarHBondContact CA-O 3.38Å; I477-L588 HydrophobicContact CG1-CB 4.31Å; I477-L588 HydrophobicContact CG1-CD1 4.41Å; I477-Y590 HydrophobicContact CG2-CD1 3.56Å; I477-Y590 HydrophobicContact CG2-CE1 3.84Å; I477-Y590 HydrophobicContact CG2-CG 4.22Å; I477-A593 HydrophobicContact CD1-CB 3.99Å; I477-A593 HydrophobicContact CG1-CB 4.36Å; I477-A593 HydrophobicContact CG2-CB 3.87Å; I477-V677 HydrophobicContact CD1-CG1 3.71Å; I477-V677 HydrophobicContact CG2-CG1 3.8Å; I477-V681 HydrophobicContact CB-CG2 4.08Å; I477-V681 HydrophobicContact CD1-CG2 4.21Å
478	D	91.4	Very high	91.3	Very high	10 Å²	10	39.2 Å²	39.2	5%	0.053	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	169.1	-169.1	-67.3	-82.2	0	0	0	112.5	S476 C482 V485 L588 F589 Y590	S476-D478 WeakPolarHBondContact CB-OD2 3.46Å; S476-D478 PolarHBondContact OG-OD2 3.39Å; D478-C482 HydrophobicContact CB-CB 3.67Å; D478-V485 WeakPolarHBondContact OD2-CG1 3.36Å; D478-L588 PolarHBondContact N-O 3.37Å; D478-F589 WeakPolarHBondContact O-CA 3.31Å; D478-Y590 VanDerWaalsContact C-CE2 3.5Å; D478-Y590 WeakPolarHBondContact O-CD2 3.41Å; D478-Y590 PolarHBondContact O-N 3.01Å; D478-Y590 VanDerWaalsContact O-N 3.15Å
479	P	86.9	Confident	91.4	Very high	64 Å²	64	39.4 Å²	39.4	42%	0.416	21%	0.211	S	C	.	.			trans	-59.8	145.6	165.6	-20.6	32	0	0	0	111.8	G481 C482 Y590	P479-G481 PolarHBondContact O-N 3.04Å; P479-C482 WeakPolarHBondContact O-CB 3.26Å; P479-C482 PolarHBondContact O-N 3.03Å; P479-Y590 HydrophobicContact CG-CD2 4.43Å; P479-Y590 HydrophobicContact CG-CE2 3.88Å
480	K	83.3	Confident	91.5	Very high	141 Å²	141	36.5 Å²	36.5	61%	0.613	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	124	172.3	-169.4	174.4	-174.2	171.2	0	110.9	F589	K480-F589 HydrophobicContact CB-CB 4.31Å
481	G	78.1	Confident	91.7	Very high	71 Å²	71	27 Å²	27	73%	0.732	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.6	6.8	-177.7	0	0	0	0	0	115.4	P479 E483	P479-G481 PolarHBondContact O-N 3.04Å; G481-E483 PolarHBondContact O-N 3.24Å
482	C	82.9	Confident	91.8	Very high	19 Å²	19	28 Å²	28	13%	0.128	16%	0.155	C	C	.	.			trans	-60.6	132.2	173.6	-175.3	0	0	0	0	111	D478 P479 K587	D478-C482 HydrophobicContact CB-CB 3.67Å; P479-C482 WeakPolarHBondContact O-CB 3.26Å; P479-C482 PolarHBondContact O-N 3.03Å; C482-K587 VanDerWaalsContact O-CE 3.28Å; C482-K587 WeakPolarHBondContact O-CE 3.38Å; C482-K587 PolarHBondContact O-NZ 3.23Å
483	E	81.3	Confident	91.9	Very high	107 Å²	107	30.9 Å²	30.9	50%	0.5	17%	0.174	S	C	.	.			trans	-111.5	-26.3	176.4	-65.4	177	163	0	0	111.8	G481 V485 R535 A545 S549	G481-E483 PolarHBondContact O-N 3.24Å; E483-V485 PolarHBondContact O-N 3.11Å; E483-R535 IonicContact OE2-NH2 3.88Å; E483-R535 PolarHBondContact OE2-NH2 2.9Å; E483-R535 VanDerWaalsContact OE2-NH2 3.09Å; E483-A545 HydrophobicContact CB-CB 4.45Å; E483-S549 WeakPolarHBondContact O-CB 3.31Å; E483-S549 PolarHBondContact O-OG 2.62Å
484	D	86.7	Confident	91.8	Very high	13 Å²	13	31.2 Å²	31.2	7%	0.07	18%	0.175	C	C	.	.			trans	-98.5	57.6	-175.6	51.5	-33.6	0	0	0	111.3	D486 Y530 R535 I799	D484-D486 PolarHBondContact O-N 2.9Å; D484-Y530 PolarHBondContact OD2-OH 3.35Å; D484-R535 IonicContact OD1-CZ 2.96Å; D484-R535 IonicContact OD1-NH1 2.78Å; D484-R535 PolarHBondContact OD1-NH1 2.87Å; D484-R535 IonicContact OD2-CZ 3.15Å; D484-R535 IonicContact OD2-NH1 3.13Å; D484-R535 PolarHBondContact OD2-NH1 3.47Å; D484-I799 HydrophobicContact CB-CG2 4.17Å
485	V	92	Very high	91.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.221	C	C	.	.			trans	-65.8	102.8	177.1	-173.9	0	0	0	0	110.5	D478 E483 S549 L550 K587	D478-V485 WeakPolarHBondContact OD2-CG1 3.36Å; E483-V485 PolarHBondContact O-N 3.11Å; V485-S549 PolarHBondContact N-OG 3.14Å; V485-S549 VanDerWaalsContact N-OG 3.09Å; V485-L550 HydrophobicContact CB-CB 4.49Å; V485-L550 HydrophobicContact CG1-CB 4.07Å; V485-L550 PolarHBondContact O-N 3.13Å; V485-K587 HydrophobicContact CG2-CD 4.48Å
486	D	94.4	Very high	91.4	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.027	25%	0.246	C	C	.	.			trans	-81.7	-36.4	178.7	-86.1	-66.7	0	0	0	112.4	D484 I505 A506 L550 S797 P798 I799 R800	D484-D486 PolarHBondContact O-N 2.9Å; D486-I505 CarbonylContact O-C 3.58Å; D486-I505 VanDerWaalsContact O-CA 3.31Å; D486-I505 WeakPolarHBondContact O-CA 3.41Å; D486-A506 PolarHBondContact O-N 3.27Å; D486-L550 WeakPolarHBondContact O-CD1 3.31Å; D486-S797 VanDerWaalsContact CG-CA 3.41Å; D486-S797 VanDerWaalsContact OD1-C 3.32Å; D486-S797 WeakPolarHBondContact OD1-CA 3.32Å; D486-S797 WeakPolarHBondContact OD2-CA 3.44Å; D486-S797 VanDerWaalsContact OD2-CB 3.3Å; D486-S797 WeakPolarHBondContact OD2-CB 3.49Å; D486-P798 WeakPolarHBondContact OD1-CD 3.4Å; D486-I799 WeakPolarHBondContact OD1-CB 3.39Å; D486-I799 WeakPolarHBondContact OD1-CD1 3.36Å; D486-I799 WeakPolarHBondContact OD1-CG1 3.47Å; D486-I799 PolarHBondContact OD1-N 2.98Å; D486-R800 IonicContact OD2-NE 3.94Å
487	D	95.7	Very high	91.2	Very high	21 Å²	21	45.6 Å²	45.6	11%	0.112	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	145.4	-167.6	62.4	-77.6	0	0	0	114	S476 I505 M685	S476-D487 WeakPolarHBondContact CB-O 3.39Å; D487-I505 HydrophobicContact CB-CD1 3.48Å; D487-I505 VanDerWaalsContact CB-CD1 3.48Å; D487-M685 HydrophobicContact CB-CE 3.86Å; D487-M685 HydrophobicContact CB-SD 3.83Å; D487-M685 WeakPolarHBondContact OD2-CE 3.4Å
488	T	97.5	Very high	91.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	154.1	171.5	51.8	0	0	0	0	109.5	V474 F475 H504 L550 I582	V474-T488 VanDerWaalsContact CG1-CB 3.49Å; V474-T488 HydrophobicContact CG1-CG2 4.09Å; V474-T488 WeakPolarHBondContact CG1-OG1 3.36Å; F475-T488 CarbonylContact O-C 3.6Å; F475-T488 VanDerWaalsContact O-CA 3.28Å; F475-T488 WeakPolarHBondContact O-CA 3.25Å; F475-T488 WeakPolarHBondContact O-CB 3.41Å; T488-H504 PolarHBondContact N-O 2.89Å; T488-H504 PolarHBondContact O-N 2.82Å; T488-H504 WeakPolarHBondContact OG1-CB 3.26Å; T488-H504 PolarHBondContact OG1-O 3.45Å; T488-L550 HydrophobicContact CG2-CB 3.68Å; T488-L550 HydrophobicContact CG2-CD1 3.76Å; T488-L550 HydrophobicContact CG2-CG 4.39Å; T488-I582 HydrophobicContact CG2-CD1 4.45Å; T488-I582 WeakPolarHBondContact OG1-CD1 3.32Å
489	L	97.8	Very high	91.6	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.016	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	151.6	-176.2	-58.4	173.1	0	0	0	110.1	V474 F475 G502 V503 L632 V681 C684 M685	V474-L489 WeakPolarHBondContact CA-O 3.46Å; F475-L489 PolarHBondContact N-O 3.42Å; F475-L489 PolarHBondContact O-N 2.88Å; L489-G502 CarbonylContact C-O 3.57Å; L489-G502 WeakPolarHBondContact CA-O 3.46Å; L489-V503 HydrophobicContact CD2-CG2 3.73Å; L489-L632 HydrophobicContact CB-CD1 4.12Å; L489-L632 HydrophobicContact CD1-CD1 4.24Å; L489-V681 HydrophobicContact CD1-CG2 4.39Å; L489-C684 HydrophobicContact CD2-CB 3.92Å; L489-M685 HydrophobicContact CD2-CE 3.72Å
490	S	97.4	Very high	92.1	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.007	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	151.8	165.3	65.6	0	0	0	0	111.2	L473 G502 H504	L473-S490 WeakPolarHBondContact O-CA 3.39Å; L473-S490 WeakPolarHBondContact O-CB 3.5Å; S490-G502 PolarHBondContact N-O 3.42Å; S490-G502 PolarHBondContact O-N 3.28Å; S490-H504 WeakPolarHBondContact CB-NE2 3.48Å; S490-H504 PolarHBondContact OG-CE1 3.31Å; S490-H504 PolarHBondContact OG-NE2 3.46Å
491	I	96.7	Very high	92.8	Very high	6 Å²	6	37.5 Å²	37.5	3%	0.031	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	136.7	173.8	-173.3	74.4	0	0	0	108.5	L499 E500 L501 W627 A628 K631 L632 I635	I491-L499 HydrophobicContact CD1-CB 4.34Å; I491-E500 WeakPolarHBondContact CA-O 3.47Å; I491-L501 HydrophobicContact CD1-CB 4.07Å; I491-L501 HydrophobicContact CD1-CD1 4.33Å; I491-W627 HydrophobicContact CG2-CZ3 4.1Å; I491-A628 HydrophobicContact CG2-CB 3.6Å; I491-K631 HydrophobicContact CG1-CB 4.29Å; I491-L632 HydrophobicContact CB-CD2 4.2Å; I491-L632 HydrophobicContact CB-CG 4.26Å; I491-L632 HydrophobicContact CG2-CD1 4.49Å; I491-L632 HydrophobicContact CG2-CG 4.1Å; I491-I635 HydrophobicContact CD1-CD1 3.52Å; I491-I635 HydrophobicContact CG1-CD1 4.42Å
492	R	95.2	Very high	93.7	Very high	75 Å²	75	34.1 Å²	34.1	28%	0.283	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	161.9	173.5	65.7	179.5	-175.5	159.2	7.1	112.4	S471 H472 L499 E500	S471-R492 PolarHBondContact O-NH1 2.92Å; H472-R492 VanDerWaalsContact NE2-CZ 3.33Å; H472-R492 PolarHBondContact NE2-NE 3.3Å; H472-R492 VanDerWaalsContact NE2-NE 3.17Å; R492-L499 CarbonylContact O-C 3.57Å; R492-L499 WeakPolarHBondContact O-CA 3.26Å; R492-E500 HydrophobicContact CG-CB 4.14Å; R492-E500 IonicContact CZ-OE1 3.56Å; R492-E500 PolarHBondContact N-O 3.38Å; R492-E500 VanDerWaalsContact N-O 3.09Å; R492-E500 IonicContact NE-OE1 3.88Å; R492-E500 PolarHBondContact NE-OE1 3.33Å; R492-E500 IonicContact NH2-OE1 2.7Å; R492-E500 PolarHBondContact NH2-OE1 3.41Å; R492-E500 IonicContact NH2-OE2 3.64Å; R492-E500 PolarHBondContact O-N 3.28Å
493	T	95.4	Very high	94.5	Very high	79 Å²	79	33.2 Å²	33.2	49%	0.485	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	129.3	171.5	-50.7	0	0	0	0	109.7
494	L	94.6	Very high	95.3	Very high	31 Å²	31	28.1 Å²	28.1	16%	0.162	15%	0.153	C	C	.	.			trans	-82.5	162.5	175.5	-65.3	178.7	0	0	0	111.5	N496 G497 N498 E500 E564	L494-N496 WeakPolarHBondContact CB-OD1 3.49Å; L494-N496 PolarHBondContact O-N 3.48Å; L494-N496 VanDerWaalsContact O-N 3.17Å; L494-G497 PolarHBondContact O-N 3.12Å; L494-N498 HydrophobicContact CD1-CB 4.34Å; L494-N498 PolarHBondContact N-O 3.29Å; L494-E500 HydrophobicContact CD1-CB 4.14Å; L494-E500 HydrophobicContact CD2-CB 3.88Å; L494-E500 HydrophobicContact CG-CB 3.94Å; L494-E564 HydrophobicContact CD1-CB 4.49Å; L494-E564 HydrophobicContact CD1-CG 3.8Å
495	N	92.5	Very high	95.8	Very high	182 Å²	182	27.5 Å²	27.5	97%	0.973	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-26.8	-179.2	-66.4	-18	0	0	0	113.6
496	N	91.5	Very high	96.1	Very high	98 Å²	98	27.5 Å²	27.5	52%	0.524	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-1.4	176.3	62	2.5	0	0	0	113	L494 N498 E564	L494-N496 WeakPolarHBondContact CB-OD1 3.49Å; L494-N496 PolarHBondContact O-N 3.48Å; L494-N496 VanDerWaalsContact O-N 3.17Å; N496-N498 PolarHBondContact ND2-ND2 3.43Å; N496-N498 WeakPolarHBondContact OD1-CB 3.45Å; N496-N498 PolarHBondContact OD1-N 3.14Å; N496-N498 VanDerWaalsContact OD1-N 3.08Å; N496-E564 PolarHBondContact ND2-OE1 2.72Å
497	G	91.2	Very high	96.3	Very high	25 Å²	25	27.3 Å²	27.3	26%	0.258	15%	0.148	S	C	.	.	S	Bend	trans	89.2	-7.8	-179.1	0	0	0	0	0	114.9	L494 K567	L494-G497 PolarHBondContact O-N 3.12Å; G497-K567 WeakPolarHBondContact O-CB 3.39Å; G497-K567 WeakPolarHBondContact O-CD 3.42Å
498	N	95.4	Very high	96.3	Very high	19 Å²	19	26.3 Å²	26.3	10%	0.102	14%	0.143	C	C	.	.			trans	-70.6	166.1	173.4	-69.4	-20.6	0	0	0	110.9	L494 N496 E564 L565 K573	L494-N498 HydrophobicContact CD1-CB 4.34Å; L494-N498 PolarHBondContact N-O 3.29Å; N496-N498 PolarHBondContact ND2-ND2 3.43Å; N496-N498 WeakPolarHBondContact OD1-CB 3.45Å; N496-N498 PolarHBondContact OD1-N 3.14Å; N496-N498 VanDerWaalsContact OD1-N 3.08Å; N498-E564 HydrophobicContact CB-CG 3.96Å; N498-E564 PolarHBondContact ND2-OE1 3.37Å; N498-L565 VanDerWaalsContact CB-O 3.24Å; N498-L565 WeakPolarHBondContact CB-O 3.46Å; N498-K573 PolarHBondContact ND2-NZ 3.37Å; N498-K573 PolarHBondContact OD1-NZ 2.98Å
499	L	96.7	Very high	96.2	Very high	9 Å²	9	27 Å²	27	5%	0.047	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	144.9	174	-62.9	173.9	0	0	0	109.7	I491 R492 E564 L565 Y570 I635	I491-L499 HydrophobicContact CD1-CB 4.34Å; R492-L499 CarbonylContact O-C 3.57Å; R492-L499 WeakPolarHBondContact O-CA 3.26Å; L499-E564 CarbonylContact O-C 3.56Å; L499-E564 WeakPolarHBondContact O-CA 3.45Å; L499-L565 HydrophobicContact CB-CB 4.29Å; L499-L565 PolarHBondContact N-O 2.77Å; L499-L565 PolarHBondContact O-N 2.85Å; L499-Y570 HydrophobicContact CD1-CD1 4.16Å; L499-Y570 HydrophobicContact CD1-CE1 3.76Å; L499-I635 HydrophobicContact CD1-CD1 4.33Å
500	E	97.6	Very high	96.1	Very high	23 Å²	23	30 Å²	30	11%	0.107	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	113.1	169	-171.7	179.7	45.3	0	0	108.7	H472 I491 R492 L494 M562 W563	H472-E500 IonicContact NE2-OE1 3.47Å; H472-E500 PolarHBondContact NE2-OE1 3.5Å; H472-E500 VanDerWaalsContact NE2-OE1 3.16Å; I491-E500 WeakPolarHBondContact CA-O 3.47Å; R492-E500 HydrophobicContact CG-CB 4.14Å; R492-E500 IonicContact CZ-OE1 3.56Å; R492-E500 PolarHBondContact N-O 3.38Å; R492-E500 VanDerWaalsContact N-O 3.09Å; R492-E500 IonicContact NE-OE1 3.88Å; R492-E500 PolarHBondContact NE-OE1 3.33Å; R492-E500 IonicContact NH2-OE1 2.7Å; R492-E500 PolarHBondContact NH2-OE1 3.41Å; R492-E500 IonicContact NH2-OE2 3.64Å; R492-E500 PolarHBondContact O-N 3.28Å; L494-E500 HydrophobicContact CD1-CB 4.14Å; L494-E500 HydrophobicContact CD2-CB 3.88Å; L494-E500 HydrophobicContact CG-CB 3.94Å; E500-M562 HydrophobicContact CG-CB 4.33Å; E500-W563 CarbonylContact C-O 3.53Å; E500-W563 VanDerWaalsContact CA-O 3.3Å; E500-W563 WeakPolarHBondContact CA-O 3.32Å
501	L	97.8	Very high	95.9	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	126.6	173.7	171.7	63.8	0	0	0	108.8	I491 M562 W563 L565 L632 I635 L687	I491-L501 HydrophobicContact CD1-CB 4.07Å; I491-L501 HydrophobicContact CD1-CD1 4.33Å; L501-M562 CarbonylContact O-C 3.53Å; L501-M562 VanDerWaalsContact O-CA 3.23Å; L501-M562 WeakPolarHBondContact O-CA 3.41Å; L501-W563 HydrophobicContact CB-CE3 4.4Å; L501-W563 HydrophobicContact CD2-CE3 4.1Å; L501-W563 HydrophobicContact CG-CE3 4.01Å; L501-W563 HydrophobicContact CG-CZ3 4.44Å; L501-W563 PolarHBondContact N-O 3.4Å; L501-W563 PolarHBondContact O-N 2.88Å; L501-L565 HydrophobicContact CB-CD1 3.9Å; L501-L565 HydrophobicContact CB-CG 4.48Å; L501-L565 HydrophobicContact CD2-CD1 4.31Å; L501-L632 HydrophobicContact CD1-CD2 3.29Å; L501-I635 HydrophobicContact CD2-CG2 4.29Å; L501-L687 HydrophobicContact CD2-CD2 4.12Å
502	G	98	Very high	95.8	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.6	175.9	0	0	0	0	0	112.2	L489 S490	L489-G502 CarbonylContact C-O 3.57Å; L489-G502 WeakPolarHBondContact CA-O 3.46Å; S490-G502 PolarHBondContact N-O 3.42Å; S490-G502 PolarHBondContact O-N 3.28Å
503	V	98.5	Very high	95.7	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	121	164.1	171.7	0	0	0	0	107.6	L489 I505 S560 I561 W563 C684 M685 A688	L489-V503 HydrophobicContact CD2-CG2 3.73Å; V503-I505 HydrophobicContact CG1-CD1 3.66Å; V503-I505 HydrophobicContact CG1-CG1 4.12Å; V503-S560 VanDerWaalsContact O-CA 3.28Å; V503-S560 WeakPolarHBondContact O-CA 3.31Å; V503-I561 PolarHBondContact N-O 3.18Å; V503-I561 PolarHBondContact O-N 2.77Å; V503-W563 HydrophobicContact CB-CH2 4.2Å; V503-W563 HydrophobicContact CB-CZ3 3.91Å; V503-W563 HydrophobicContact CG2-CH2 4.06Å; V503-W563 HydrophobicContact CG2-CZ3 3.64Å; V503-C684 HydrophobicContact CG2-CB 4.22Å; V503-M685 HydrophobicContact CG1-CE 3.77Å; V503-M685 HydrophobicContact CG1-SD 4.26Å; V503-M685 HydrophobicContact CG2-CE 4.3Å; V503-A688 HydrophobicContact CB-CB 4.3Å; V503-A688 HydrophobicContact CG1-CB 3.92Å; V503-A688 HydrophobicContact CG2-CB 4.45Å
504	H	98.3	Very high	95.4	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	118.4	-176.3	-36	-85.7	0	0	0	109.8	L468 T488 S490 L550 A558 S560 I582	L468-H504 VanDerWaalsContact CD1-CE1 3.47Å; L468-H504 WeakPolarHBondContact CD1-CE1 3.15Å; T488-H504 PolarHBondContact N-O 2.89Å; T488-H504 PolarHBondContact O-N 2.82Å; T488-H504 WeakPolarHBondContact OG1-CB 3.26Å; T488-H504 PolarHBondContact OG1-O 3.45Å; S490-H504 WeakPolarHBondContact CB-NE2 3.48Å; S490-H504 PolarHBondContact OG-CE1 3.31Å; S490-H504 PolarHBondContact OG-NE2 3.46Å; H504-L550 WeakPolarHBondContact O-CD1 3.5Å; H504-A558 HydrophobicContact CB-CB 4.05Å; H504-S560 WeakPolarHBondContact CB-OG 3.43Å; H504-S560 VanDerWaalsContact ND1-CB 3.33Å; H504-S560 WeakPolarHBondContact ND1-CB 3.26Å; H504-S560 PolarHBondContact ND1-OG 2.91Å; H504-I582 HydrophobicContact CB-CD1 4.03Å; H504-I582 HydrophobicContact CB-CG2 4.34Å
505	I	98.5	Very high	95	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	142.2	-173.9	-53.6	-56	0	0	0	110.1	D486 D487 V503 D507 A558 V559 M685 F795 T796 P798	D486-I505 CarbonylContact O-C 3.58Å; D486-I505 VanDerWaalsContact O-CA 3.31Å; D486-I505 WeakPolarHBondContact O-CA 3.41Å; D487-I505 HydrophobicContact CB-CD1 3.48Å; D487-I505 VanDerWaalsContact CB-CD1 3.48Å; V503-I505 HydrophobicContact CG1-CD1 3.66Å; V503-I505 HydrophobicContact CG1-CG1 4.12Å; I505-D507 PolarHBondContact O-N 3.3Å; I505-A558 CarbonylContact O-C 3.22Å; I505-A558 WeakPolarHBondContact O-CA 3.4Å; I505-A558 WeakPolarHBondContact O-CB 3.5Å; I505-V559 PolarHBondContact N-O 3.43Å; I505-V559 PolarHBondContact O-N 3.46Å; I505-M685 HydrophobicContact CD1-SD 4.18Å; I505-F795 HydrophobicContact CB-CE1 3.91Å; I505-F795 HydrophobicContact CB-CZ 4.26Å; I505-F795 HydrophobicContact CG1-CD1 3.93Å; I505-F795 HydrophobicContact CG1-CE1 3.36Å; I505-F795 HydrophobicContact CG1-CZ 4.18Å; I505-T796 HydrophobicContact CD1-CG2 4.07Å; I505-T796 HydrophobicContact CG1-CG2 4.47Å; I505-P798 HydrophobicContact CG2-CG 3.8Å
506	A	97.9	Very high	94.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-47.5	127.1	177.2	0	0	0	0	0	113.2	D486 V508 C548 L550 P798 I799 H808	D486-A506 PolarHBondContact O-N 3.27Å; A506-V508 VanDerWaalsContact C-N 3.33Å; A506-V508 HydrophobicContact CB-CG2 4.5Å; A506-V508 PolarHBondContact O-N 3.46Å; A506-C548 HydrophobicContact CB-CB 4.4Å; A506-C548 WeakPolarHBondContact CB-O 3.43Å; A506-L550 HydrophobicContact CB-CD2 4.47Å; A506-L550 HydrophobicContact CB-CG 4.35Å; A506-P798 HydrophobicContact CB-CG 4.4Å; A506-P798 WeakPolarHBondContact O-CG 2.94Å; A506-I799 HydrophobicContact CB-CD1 3.98Å; A506-I799 HydrophobicContact CB-CG1 4.14Å; A506-H808 PolarHBondContact O-CE1 2.83Å
507	D	97.2	Very high	94.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.147	C	C	.	.			trans	-86.5	69	179.2	-170.9	5.5	0	0	0	112.6	R465 I505 T509 H510 Y557 V559 R579	R465-D507 IonicContact CZ-OD2 2.7Å; R465-D507 IonicContact NH1-OD2 2.74Å; R465-D507 PolarHBondContact NH1-OD2 3.4Å; R465-D507 IonicContact NH2-OD2 3.87Å; R465-D507 PolarHBondContact NH2-OD2 3.03Å; I505-D507 PolarHBondContact O-N 3.3Å; D507-T509 PolarHBondContact O-N 3.38Å; D507-T509 PolarHBondContact OD1-N 3.39Å; D507-T509 PolarHBondContact OD1-OG1 3.47Å; D507-H510 WeakPolarHBondContact O-CB 3.44Å; D507-H510 PolarHBondContact O-N 3.04Å; D507-H510 PolarHBondContact OD1-N 2.88Å; D507-Y557 PolarHBondContact N-O 2.89Å; D507-Y557 VanDerWaalsContact N-O 3.09Å; D507-V559 HydrophobicContact CB-CG2 3.91Å; D507-R579 IonicContact OD1-NE 2.74Å; D507-R579 IonicContact OD1-NH2 3.38Å; D507-R579 WeakPolarHBondContact OD2-CD 3.35Å; D507-R579 IonicContact OD2-CZ 3.64Å; D507-R579 IonicContact OD2-NE 3.95Å; D507-R579 PolarHBondContact OD2-NE 2.82Å; D507-R579 IonicContact OD2-NH2 3.67Å
508	V	97.1	Very high	94.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.8	-32.9	176.6	175.7	0	0	0	0	111.7	A506 H510 F511 V512 L539 C548 P798 I799 I805	A506-V508 VanDerWaalsContact C-N 3.33Å; A506-V508 HydrophobicContact CB-CG2 4.5Å; A506-V508 PolarHBondContact O-N 3.46Å; V508-H510 PolarHBondContact O-N 3.5Å; V508-H510 VanDerWaalsContact O-N 3.15Å; V508-F511 PolarHBondContact O-N 3.38Å; V508-V512 HydrophobicContact CG1-CB 4.29Å; V508-V512 HydrophobicContact CG1-CG2 3.81Å; V508-V512 PolarHBondContact O-N 3.44Å; V508-L539 HydrophobicContact CG1-CD1 3.59Å; V508-L539 HydrophobicContact CG2-CD1 4.33Å; V508-C548 HydrophobicContact CG2-CB 4.03Å; V508-P798 HydrophobicContact CB-CB 4.04Å; V508-P798 HydrophobicContact CB-CG 4.4Å; V508-P798 HydrophobicContact CG2-CB 3.83Å; V508-P798 HydrophobicContact CG2-CG 3.84Å; V508-I799 HydrophobicContact CG2-CG1 3.9Å; V508-I805 HydrophobicContact CB-CG1 4.5Å; V508-I805 HydrophobicContact CG1-CD1 3.77Å; V508-I805 HydrophobicContact CG1-CG1 4.03Å
509	T	95.6	Very high	94.6	Very high	15 Å²	15	23.8 Å²	23.8	9%	0.092	13%	0.13	C	C	.	.	H	α-helix	trans	-66.7	-15.3	-177.9	67.4	0	0	0	0	114.2	D507 R579 I805 H808 R809	D507-T509 PolarHBondContact O-N 3.38Å; D507-T509 PolarHBondContact OD1-N 3.39Å; D507-T509 PolarHBondContact OD1-OG1 3.47Å; T509-R579 PolarHBondContact OG1-NH2 3.03Å; T509-I805 HydrophobicContact CG2-CG2 4.15Å; T509-H808 HydrophobicContact CG2-CB 3.34Å; T509-R809 HydrophobicContact CG2-CG 3.97Å
510	H	94.4	Very high	94.2	Very high	66 Å²	66	25.5 Å²	25.5	31%	0.306	14%	0.139	S	C	.	.	H	α-helix	trans	-71.1	-39.3	170.8	-178.9	74.9	0	0	0	112	E461 R465 D507 V508 Y557	E461-H510 IonicContact OE2-CE1 3.34Å; E461-H510 IonicContact OE2-ND1 3.87Å; R465-H510 PolarHBondContact NH2-ND1 3Å; D507-H510 WeakPolarHBondContact O-CB 3.44Å; D507-H510 PolarHBondContact O-N 3.04Å; D507-H510 PolarHBondContact OD1-N 2.88Å; V508-H510 PolarHBondContact O-N 3.5Å; V508-H510 VanDerWaalsContact O-N 3.15Å; H510-Y557 AromaticContact CD2-CD2 3.54Å; H510-Y557 AromaticContact CD2-CE2 3.6Å; H510-Y557 AromaticContact NE2-CD2 3.86Å; H510-Y557 AromaticContact NE2-CE2 3.4Å; H510-Y557 WeakPolarHBondContact NE2-CE2 3.29Å
511	F	94.7	Very high	93.9	Very high	28 Å²	28	24.8 Å²	24.8	12%	0.123	14%	0.136	C	C	.	.	H	α-helix	trans	-90.5	-29.8	-176.3	-58	-76.3	0	0	0	112.8	P447 W455 V508 L543 L547 C548 Y557	P447-F511 HydrophobicContact CG-CD1 3.67Å; P447-F511 HydrophobicContact CG-CE1 4.12Å; W455-F511 AromaticContact CE2-CE1 3.99Å; W455-F511 HydrophobicContact CH2-CZ 4.29Å; W455-F511 AromaticContact CZ2-CE1 3.94Å; W455-F511 HydrophobicContact CZ2-CE1 3.94Å; W455-F511 AromaticContact CZ2-CZ 3.74Å; W455-F511 HydrophobicContact CZ2-CZ 3.74Å; W455-F511 AromaticContact NE1-CE1 3.87Å; V508-F511 PolarHBondContact O-N 3.38Å; F511-L543 HydrophobicContact CB-CD1 4.38Å; F511-L543 HydrophobicContact CB-CD2 3.78Å; F511-L543 HydrophobicContact CD1-CD2 4.33Å; F511-L543 HydrophobicContact CG-CD2 3.99Å; F511-L547 HydrophobicContact CZ-CB 4.4Å; F511-C548 VanDerWaalsContact CD2-SG 3.51Å; F511-Y557 HydrophobicContact CE2-CD2 4.36Å; F511-Y557 AromaticContact CZ-CD2 4Å; F511-Y557 HydrophobicContact CZ-CD2 4Å
512	V	94.9	Very high	93.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-105.2	94.4	-177.1	-179	0	0	0	0	110.8	V508 I518 D519 L539 L543 R809	V508-V512 HydrophobicContact CG1-CB 4.29Å; V508-V512 HydrophobicContact CG1-CG2 3.81Å; V508-V512 PolarHBondContact O-N 3.44Å; V512-I518 HydrophobicContact CB-CG2 4.22Å; V512-I518 HydrophobicContact CG1-CG2 3.74Å; V512-I518 HydrophobicContact CG2-CG2 3.86Å; V512-D519 HydrophobicContact CG1-CB 3.87Å; V512-L539 HydrophobicContact CG2-CD2 4.21Å; V512-L543 HydrophobicContact CG2-CD1 3.91Å; V512-R809 PolarHBondContact O-NH2 3.02Å
513	A	91.8	Very high	93.5	Very high	55 Å²	55	27.7 Å²	27.7	46%	0.455	15%	0.146	S	C	.	.			trans	-69.3	144.3	177.5	0	0	0	0	0	111.9	N515 S516 D519	A513-N515 PolarHBondContact O-N 3.49Å; A513-S516 WeakPolarHBondContact O-CB 3.4Å; A513-S516 PolarHBondContact O-N 2.87Å; A513-S516 PolarHBondContact O-OG 3.2Å; A513-D519 VanDerWaalsContact O-CB 3.28Å; A513-D519 WeakPolarHBondContact O-CB 3.27Å
514	P	89.8	Confident	93.1	Very high	78 Å²	78	30 Å²	30	51%	0.506	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	134.5	176.6	-22.3	31.8	0	0	0	112.3	S516	P514-S516 PolarHBondContact O-N 3.42Å
515	N	86.1	Confident	92.9	Very high	109 Å²	109	30.7 Å²	30.7	58%	0.583	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.8	15.9	-179.2	-49.9	-48.7	0	0	0	115.8	A513 D519 R523	A513-N515 PolarHBondContact O-N 3.49Å; N515-D519 PolarHBondContact N-OD2 3.2Å; N515-R523 PolarHBondContact OD1-NH2 2.95Å
516	S	88.3	Confident	92.8	Very high	18 Å²	18	30.8 Å²	30.8	13%	0.126	16%	0.164	C	C	.	.	S	Bend	trans	-68.9	166.7	166.3	92.6	0	0	0	0	110.9	E445 A513 P514 I518 D519 I520	E445-S516 VanDerWaalsContact OE1-CB 3.29Å; E445-S516 WeakPolarHBondContact OE1-CB 3.4Å; E445-S516 VanDerWaalsContact OE2-CB 3.26Å; E445-S516 WeakPolarHBondContact OE2-CB 3.43Å; E445-S516 PolarHBondContact OE2-OG 2.86Å; A513-S516 WeakPolarHBondContact O-CB 3.4Å; A513-S516 PolarHBondContact O-N 2.87Å; A513-S516 PolarHBondContact O-OG 3.2Å; P514-S516 PolarHBondContact O-N 3.42Å; S516-I518 PolarHBondContact O-N 3.45Å; S516-I518 WeakPolarHBondContact OG-CG2 3.32Å; S516-I518 PolarHBondContact OG-N 3.34Å; S516-D519 PolarHBondContact O-N 3.29Å; S516-D519 VanDerWaalsContact O-N 3.14Å; S516-D519 PolarHBondContact OG-N 2.83Å; S516-I520 WeakPolarHBondContact O-CG1 3.38Å; S516-I520 PolarHBondContact O-N 3.01Å
517	Y	88.1	Confident	92.7	Very high	96 Å²	96	31.7 Å²	31.7	38%	0.376	17%	0.17	S	C	.	.	H	α-helix	trans	-57.4	-38.4	178.1	-68.4	-73.6	0	0	0	111.7	A110 A441 E445 E521	A110-Y517 HydrophobicContact CB-CD1 3.82Å; A110-Y517 HydrophobicContact CB-CE1 3.29Å; A441-Y517 HydrophobicContact CB-CD2 4.5Å; E445-Y517 HydrophobicContact CG-CD2 4.29Å; E445-Y517 WeakPolarHBondContact OE1-CD2 3.33Å; E445-Y517 PolarHBondContact OE1-N 3.42Å; E445-Y517 PolarHBondContact OE2-N 2.82Å; E445-Y517 VanDerWaalsContact OE2-N 3.17Å; Y517-E521 PolarHBondContact O-N 3.42Å
518	I	91.4	Very high	92.6	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-74.6	-33.1	177.1	-154.1	69.9	0	0	0	113.4	F438 Q442 E445 M446 V512 S516 E521 A522 L539 P540	F438-I518 HydrophobicContact CD1-CD1 3.74Å; F438-I518 HydrophobicContact CE1-CD1 3.82Å; Q442-I518 HydrophobicContact CB-CD1 4.15Å; Q442-I518 HydrophobicContact CG-CD1 4.45Å; E445-I518 PolarHBondContact OE2-N 2.85Å; M446-I518 HydrophobicContact CE-CB 4.22Å; M446-I518 HydrophobicContact CE-CG1 4.19Å; M446-I518 HydrophobicContact CE-CG2 4.2Å; V512-I518 HydrophobicContact CB-CG2 4.22Å; V512-I518 HydrophobicContact CG1-CG2 3.74Å; V512-I518 HydrophobicContact CG2-CG2 3.86Å; S516-I518 PolarHBondContact O-N 3.45Å; S516-I518 WeakPolarHBondContact OG-CG2 3.32Å; S516-I518 PolarHBondContact OG-N 3.34Å; I518-E521 PolarHBondContact O-N 2.83Å; I518-A522 VanDerWaalsContact O-CB 3.27Å; I518-A522 WeakPolarHBondContact O-CB 3.3Å; I518-A522 PolarHBondContact O-N 3.45Å; I518-L539 HydrophobicContact CG1-CD2 4.34Å; I518-P540 VanDerWaalsContact CD1-CD 3.46Å; I518-P540 HydrophobicContact CD1-CG 3.3Å; I518-P540 HydrophobicContact CG1-CG 4.01Å
519	D	93.4	Very high	92.5	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.9	-41.1	173	-176.5	70.9	0	0	0	112	V512 A513 N515 S516 E521 A522 R523 Y802 R809	V512-D519 HydrophobicContact CG1-CB 3.87Å; A513-D519 VanDerWaalsContact O-CB 3.28Å; A513-D519 WeakPolarHBondContact O-CB 3.27Å; N515-D519 PolarHBondContact N-OD2 3.2Å; S516-D519 PolarHBondContact O-N 3.29Å; S516-D519 VanDerWaalsContact O-N 3.14Å; S516-D519 PolarHBondContact OG-N 2.83Å; D519-E521 VanDerWaalsContact C-N 3.34Å; D519-A522 PolarHBondContact O-N 3.1Å; D519-R523 WeakPolarHBondContact O-CB 3.46Å; D519-R523 PolarHBondContact O-N 3.21Å; D519-R523 IonicContact OD2-CZ 3.24Å; D519-R523 IonicContact OD2-NH2 3.03Å; D519-R523 PolarHBondContact OD2-NH2 3.41Å; D519-Y802 WeakPolarHBondContact OD1-CE2 3.21Å; D519-Y802 PolarHBondContact OD1-OH 3.31Å; D519-R809 IonicContact OD1-CZ 2.7Å; D519-R809 IonicContact OD1-NH1 2.69Å; D519-R809 PolarHBondContact OD1-NH1 3.16Å; D519-R809 IonicContact OD1-NH2 3.93Å; D519-R809 PolarHBondContact OD1-NH2 3.22Å; D519-R809 IonicContact OD2-NH1 2.7Å
520	I	89.9	Confident	92.2	Very high	45 Å²	45	34.6 Å²	34.6	23%	0.231	18%	0.18	C	C	.	.	H	α-helix	trans	-63.8	-41.5	177.4	-66.5	166.6	0	0	0	110.5	S516 T524	S516-I520 WeakPolarHBondContact O-CG1 3.38Å; S516-I520 PolarHBondContact O-N 3.01Å; I520-T524 WeakPolarHBondContact O-CB 3.4Å; I520-T524 PolarHBondContact O-N 2.97Å; I520-T524 PolarHBondContact O-OG1 3.13Å
521	E	89.9	Confident	92.1	Very high	9 Å²	9	32.2 Å²	32.2	4%	0.042	17%	0.169	C	C	.	.	H	α-helix	trans	-68.5	-46.6	177	-172.8	59.4	-156.4	0	0	112	R111 F438 Q442 Y517 I518 D519 R523 T524 R525	R111-E521 IonicContact CZ-OE2 3.96Å; R111-E521 IonicContact NH1-OE2 3.59Å; R111-E521 PolarHBondContact NH1-OE2 2.72Å; F438-E521 HydrophobicContact CD1-CG 4.04Å; F438-E521 HydrophobicContact CE1-CG 3.78Å; Q442-E521 PolarHBondContact NE2-OE2 3.31Å; Y517-E521 PolarHBondContact O-N 3.42Å; I518-E521 PolarHBondContact O-N 2.83Å; D519-E521 VanDerWaalsContact C-N 3.34Å; E521-R523 VanDerWaalsContact C-N 3.29Å; E521-R523 PolarHBondContact O-N 3.1Å; E521-T524 WeakPolarHBondContact O-CA 3.43Å; E521-T524 WeakPolarHBondContact O-CB 3.43Å; E521-T524 PolarHBondContact O-N 3.08Å; E521-R525 PolarHBondContact O-N 2.77Å; E521-R525 IonicContact OE1-CZ 3.4Å; E521-R525 VanDerWaalsContact OE1-CZ 3.3Å; E521-R525 IonicContact OE1-NE 3.57Å; E521-R525 PolarHBondContact OE1-NE 3.07Å; E521-R525 IonicContact OE1-NH2 3.67Å; E521-R525 PolarHBondContact OE1-NH2 3.48Å
522	A	94.4	Very high	91.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59.1	-41.4	176.1	0	0	0	0	0	111.2	I518 D519 T524 A526 M538 L539 Y802	I518-A522 VanDerWaalsContact O-CB 3.27Å; I518-A522 WeakPolarHBondContact O-CB 3.3Å; I518-A522 PolarHBondContact O-N 3.45Å; D519-A522 PolarHBondContact O-N 3.1Å; A522-T524 VanDerWaalsContact C-N 3.34Å; A522-T524 PolarHBondContact O-N 2.94Å; A522-A526 VanDerWaalsContact O-CA 3.29Å; A522-A526 WeakPolarHBondContact O-CA 3.29Å; A522-A526 PolarHBondContact O-N 3.07Å; A522-M538 HydrophobicContact CB-CG 4Å; A522-M538 HydrophobicContact CB-SD 4.34Å; A522-L539 HydrophobicContact CB-CD2 3.82Å; A522-Y802 HydrophobicContact CB-CD2 3.87Å; A522-Y802 HydrophobicContact CB-CE2 4.31Å
523	R	93.7	Very high	91.2	Very high	61 Å²	61	34.2 Å²	34.2	23%	0.23	19%	0.185	C	C	.	.	H	α-helix	trans	-62	-40.8	172.6	-171	-176.4	-54.8	173.8	6.7	111.7	N515 D519 E521 Y802 L836 H839	N515-R523 PolarHBondContact OD1-NH2 2.95Å; D519-R523 WeakPolarHBondContact O-CB 3.46Å; D519-R523 PolarHBondContact O-N 3.21Å; D519-R523 IonicContact OD2-CZ 3.24Å; D519-R523 IonicContact OD2-NH2 3.03Å; D519-R523 PolarHBondContact OD2-NH2 3.41Å; E521-R523 VanDerWaalsContact C-N 3.29Å; E521-R523 PolarHBondContact O-N 3.1Å; R523-Y802 HydrophobicContact CB-CD1 4.31Å; R523-Y802 HydrophobicContact CB-CD2 4.28Å; R523-Y802 HydrophobicContact CB-CE1 3.87Å; R523-Y802 HydrophobicContact CB-CE2 3.82Å; R523-Y802 HydrophobicContact CG-CD1 4.25Å; R523-Y802 HydrophobicContact CG-CE1 3.68Å; R523-Y802 PolarHBondContact NE-OH 3.12Å; R523-Y802 PolarHBondContact NH2-OH 2.98Å; R523-L836 HydrophobicContact CG-CD1 3.86Å; R523-H839 PolarHBondContact O-CD2 3.19Å; R523-H839 VanDerWaalsContact O-CD2 3.23Å; R523-H839 PolarHBondContact O-NE2 2.96Å
524	T	90.5	Very high	91	Very high	49 Å²	49	34.8 Å²	34.8	30%	0.301	18%	0.176	S	C	.	.	H	α-helix	trans	-66.5	-44.1	-179.2	-61.9	0	0	0	0	112	I520 E521 A522 H839 R843	I520-T524 WeakPolarHBondContact O-CB 3.4Å; I520-T524 PolarHBondContact O-N 2.97Å; I520-T524 PolarHBondContact O-OG1 3.13Å; E521-T524 WeakPolarHBondContact O-CA 3.43Å; E521-T524 WeakPolarHBondContact O-CB 3.43Å; E521-T524 PolarHBondContact O-N 3.08Å; A522-T524 VanDerWaalsContact C-N 3.34Å; A522-T524 PolarHBondContact O-N 2.94Å; T524-H839 PolarHBondContact O-CE1 3.45Å; T524-H839 PolarHBondContact O-NE2 2.57Å; T524-R843 PolarHBondContact O-NE 3.28Å
525	R	93.4	Very high	91	Very high	14 Å²	14	33.9 Å²	33.9	5%	0.053	16%	0.162	C	C	.	.	H	α-helix	trans	-71.6	-39.2	175.1	-65.4	-177.5	-170.2	-153.4	-0.9	112.2	I436 F438 E521 T527 Y529 D537 M538	I436-R525 PolarHBondContact O-NH2 2.98Å; F438-R525 VanDerWaalsContact CZ-NH1 3.29Å; E521-R525 PolarHBondContact O-N 2.77Å; E521-R525 IonicContact OE1-CZ 3.4Å; E521-R525 VanDerWaalsContact OE1-CZ 3.3Å; E521-R525 IonicContact OE1-NE 3.57Å; E521-R525 PolarHBondContact OE1-NE 3.07Å; E521-R525 IonicContact OE1-NH2 3.67Å; E521-R525 PolarHBondContact OE1-NH2 3.48Å; R525-T527 PolarHBondContact O-N 3.08Å; R525-Y529 PolarHBondContact O-OH 3.37Å; R525-D537 PolarHBondContact NH1-O 3.45Å; R525-M538 HydrophobicContact CB-CG 4.28Å
526	A	96.1	Very high	91.4	Very high	2 Å²	2	31.1 Å²	31.1	2%	0.017	14%	0.144	C	C	.	.			trans	60.7	-29.2	-176.3	0	0	0	0	0	116.5	A522 Y802 I840 R843	A522-A526 VanDerWaalsContact O-CA 3.29Å; A522-A526 WeakPolarHBondContact O-CA 3.29Å; A522-A526 PolarHBondContact O-N 3.07Å; A526-Y802 WeakPolarHBondContact O-CB 3.19Å; A526-Y802 PolarHBondContact O-N 3.33Å; A526-I840 HydrophobicContact CB-CG1 4.17Å; A526-R843 HydrophobicContact CB-CB 3.74Å; A526-R843 HydrophobicContact CB-CG 3.88Å
527	T	95.9	Very high	91.6	Very high	19 Å²	19	31.8 Å²	31.8	12%	0.117	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-148.9	153.1	177.1	-173.2	0	0	0	0	110.5	R525 Y529 R800 A847	R525-T527 PolarHBondContact O-N 3.08Å; T527-Y529 HydrophobicContact CG2-CD1 4.21Å; T527-Y529 HydrophobicContact CG2-CE1 3.87Å; T527-R800 CarbonylContact C-O 3.55Å; T527-R800 WeakPolarHBondContact CA-O 3.28Å; T527-R800 PolarHBondContact OG1-O 3.4Å; T527-A847 HydrophobicContact CG2-CB 3.69Å
528	T	95.1	Very high	92	Very high	4 Å²	4	27.2 Å²	27.2	3%	0.025	13%	0.128	C	C	.	.			trans	-66.9	138.9	164.7	-66.7	0	0	0	0	109.5	Y530 R535 Y536 M538 R800	T528-Y530 HydrophobicContact CG2-CD2 4.06Å; T528-Y530 HydrophobicContact CG2-CE1 4.25Å; T528-Y530 HydrophobicContact CG2-CE2 3.59Å; T528-R535 HydrophobicContact CG2-CB 4.27Å; T528-Y536 WeakPolarHBondContact CA-O 3.3Å; T528-Y536 WeakPolarHBondContact CG2-O 3.27Å; T528-M538 PolarHBondContact OG1-N 3.48Å; T528-M538 VanDerWaalsContact OG1-N 3.08Å; T528-R800 PolarHBondContact N-O 3.08Å; T528-R800 WeakPolarHBondContact OG1-CA 3.12Å; T528-R800 WeakPolarHBondContact OG1-CB 3.25Å
529	Y	94.7	Very high	92.2	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.016	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	110.8	177	-50.8	-61.2	0	0	0	109.8	I433 V435 R525 T527 R535 Y536 A847	I433-Y529 HydrophobicContact CD1-CD1 3.83Å; I433-Y529 HydrophobicContact CD1-CE1 3.88Å; I433-Y529 HydrophobicContact CD1-CG 4.27Å; I433-Y529 HydrophobicContact CG1-CE1 4.12Å; I433-Y529 HydrophobicContact CG2-CD2 3.6Å; I433-Y529 HydrophobicContact CG2-CE1 4.33Å; I433-Y529 HydrophobicContact CG2-CE2 3.33Å; I433-Y529 HydrophobicContact CG2-CG 4.2Å; V435-Y529 HydrophobicContact CG2-CD2 4.25Å; R525-Y529 PolarHBondContact O-OH 3.37Å; T527-Y529 HydrophobicContact CG2-CD1 4.21Å; T527-Y529 HydrophobicContact CG2-CE1 3.87Å; Y529-R535 CarbonylContact O-C 3.59Å; Y529-R535 VanDerWaalsContact O-CA 3.27Å; Y529-R535 WeakPolarHBondContact O-CA 3.48Å; Y529-Y536 PolarHBondContact N-O 2.69Å; Y529-Y536 PolarHBondContact O-N 2.87Å; Y529-A847 HydrophobicContact CD1-CB 3.61Å; Y529-A847 HydrophobicContact CE1-CB 3.98Å
530	Y	90.1	Very high	92.2	Very high	69 Å²	69	27.2 Å²	27.2	27%	0.271	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	122	175	-65.5	-89.9	0	0	0	109.7	D484 T528 R535 R800 Q851	D484-Y530 PolarHBondContact OD2-OH 3.35Å; T528-Y530 HydrophobicContact CG2-CD2 4.06Å; T528-Y530 HydrophobicContact CG2-CE1 4.25Å; T528-Y530 HydrophobicContact CG2-CE2 3.59Å; Y530-R535 HydrophobicContact CD1-CB 3.88Å; Y530-R535 HydrophobicContact CE1-CB 4.17Å; Y530-R800 VanDerWaalsContact OH-CD 3.29Å; Y530-R800 WeakPolarHBondContact OH-CD 3.19Å; Y530-Q851 VanDerWaalsContact O-CB 3.28Å; Y530-Q851 WeakPolarHBondContact O-CB 3.34Å; Y530-Q851 VanDerWaalsContact O-CG 3.31Å; Y530-Q851 WeakPolarHBondContact O-CG 3.48Å
531	L	90.9	Very high	92.3	Very high	16 Å²	16	28.6 Å²	28.6	8%	0.084	14%	0.142	C	C	.	.			trans	-108.4	174.9	170.8	-55.2	-174.7	0	0	0	108.7	I424 L428 D533 R534 Y536	I424-L531 HydrophobicContact CD1-CD1 4.29Å; I424-L531 HydrophobicContact CG2-CD1 3.65Å; L428-L531 HydrophobicContact CD2-CD1 4.43Å; L531-D533 PolarHBondContact O-N 3.35Å; L531-R534 CarbonylContact C-O 3.45Å; L531-R534 WeakPolarHBondContact CA-O 3.46Å; L531-R534 HydrophobicContact CB-CG 4.37Å; L531-R534 WeakPolarHBondContact CB-O 3.12Å; L531-R534 HydrophobicContact CD1-CG 4.3Å; L531-R534 PolarHBondContact N-O 3.25Å; L531-Y536 HydrophobicContact CD1-CD2 4.21Å; L531-Y536 HydrophobicContact CD1-CE2 3.65Å; L531-Y536 HydrophobicContact CG-CE2 4.49Å
532	A	86.6	Confident	92.4	Very high	29 Å²	29	30 Å²	30	24%	0.24	15%	0.151	C	C	.	.	S	Bend	trans	-66.6	-33.5	-175	0	0	0	0	0	113.8	V658 S854 F858	A532-V658 HydrophobicContact CB-CG2 3.95Å; A532-S854 PolarHBondContact N-OG 2.91Å; A532-F858 HydrophobicContact CB-CB 4.25Å; A532-F858 HydrophobicContact CB-CD1 4.42Å; A532-F858 HydrophobicContact CB-CD2 3.47Å; A532-F858 VanDerWaalsContact CB-CD2 3.47Å; A532-F858 HydrophobicContact CB-CE2 3.85Å; A532-F858 HydrophobicContact CB-CG 3.78Å
533	D	85.2	Confident	92.4	Very high	40 Å²	40	30 Å²	30	21%	0.214	15%	0.151	C	C	.	.	S	Bend	trans	-106.2	-21.8	-178.5	66.8	-41.5	0	0	0	114.7	L531 L660 F858	L531-D533 PolarHBondContact O-N 3.35Å; D533-L660 HydrophobicContact CB-CD1 3.79Å; D533-F858 HydrophobicContact CB-CE1 3.98Å; D533-F858 HydrophobicContact CB-CE2 4.23Å; D533-F858 HydrophobicContact CB-CZ 3.45Å; D533-F858 VanDerWaalsContact CB-CZ 3.45Å
534	R	87.5	Confident	92.3	Very high	67 Å²	67	27.2 Å²	27.2	25%	0.253	14%	0.141	S	C	.	.			trans	-148.8	171.3	-172.4	73.5	-172.4	68.8	-178	0.6	112.2	E421 L531 Y536	E421-R534 IonicContact OE1-CZ 3.2Å; E421-R534 IonicContact OE1-NH1 3.86Å; E421-R534 PolarHBondContact OE1-NH1 2.87Å; E421-R534 IonicContact OE1-NH2 2.69Å; E421-R534 PolarHBondContact OE1-NH2 2.88Å; E421-R534 IonicContact OE2-CZ 3.83Å; E421-R534 IonicContact OE2-NH1 3.87Å; E421-R534 PolarHBondContact OE2-NH1 3.18Å; E421-R534 IonicContact OE2-NH2 3.72Å; L531-R534 CarbonylContact C-O 3.45Å; L531-R534 WeakPolarHBondContact CA-O 3.46Å; L531-R534 HydrophobicContact CB-CG 4.37Å; L531-R534 WeakPolarHBondContact CB-O 3.12Å; L531-R534 HydrophobicContact CD1-CG 4.3Å; L531-R534 PolarHBondContact N-O 3.25Å; R534-Y536 HydrophobicContact CG-CE2 4.32Å
535	R	90.3	Very high	92.2	Very high	60 Å²	60	26.2 Å²	26.2	23%	0.226	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	154.6	169.3	68.3	178	-176	-136.1	-10.8	111.3	E483 D484 T528 Y529 Y530 D537	E483-R535 IonicContact OE2-NH2 3.88Å; E483-R535 PolarHBondContact OE2-NH2 2.9Å; E483-R535 VanDerWaalsContact OE2-NH2 3.09Å; D484-R535 IonicContact OD1-CZ 2.96Å; D484-R535 IonicContact OD1-NH1 2.78Å; D484-R535 PolarHBondContact OD1-NH1 2.87Å; D484-R535 IonicContact OD2-CZ 3.15Å; D484-R535 IonicContact OD2-NH1 3.13Å; D484-R535 PolarHBondContact OD2-NH1 3.47Å; T528-R535 HydrophobicContact CG2-CB 4.27Å; Y529-R535 CarbonylContact O-C 3.59Å; Y529-R535 VanDerWaalsContact O-CA 3.27Å; Y529-R535 WeakPolarHBondContact O-CA 3.48Å; Y530-R535 HydrophobicContact CD1-CB 3.88Å; Y530-R535 HydrophobicContact CE1-CB 4.17Å; R535-D537 VanDerWaalsContact CD-OD1 3.22Å; R535-D537 WeakPolarHBondContact CD-OD1 3.36Å; R535-D537 WeakPolarHBondContact CG-OD1 3.43Å; R535-D537 IonicContact NE-OD1 3.19Å; R535-D537 PolarHBondContact NE-OD1 2.94Å; R535-D537 IonicContact NE-OD2 3.88Å
536	Y	93.1	Very high	92.1	Very high	51 Å²	51	28 Å²	28	20%	0.2	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	106.7	171.2	-64	-69.9	0	0	0	109.6	L428 V435 T528 Y529 L531 R534	L428-Y536 HydrophobicContact CD1-CD2 4.42Å; L428-Y536 HydrophobicContact CD1-CE2 3.67Å; L428-Y536 HydrophobicContact CD2-CD2 4.34Å; L428-Y536 HydrophobicContact CD2-CE2 4.19Å; L428-Y536 HydrophobicContact CG-CE2 4.49Å; V435-Y536 HydrophobicContact CB-CD1 4.16Å; V435-Y536 HydrophobicContact CB-CE1 4.45Å; V435-Y536 HydrophobicContact CB-CG 4.3Å; V435-Y536 HydrophobicContact CG1-CD1 3.5Å; V435-Y536 VanDerWaalsContact CG1-CD1 3.5Å; V435-Y536 HydrophobicContact CG1-CE1 4.11Å; V435-Y536 HydrophobicContact CG1-CG 3.83Å; V435-Y536 HydrophobicContact CG2-CD1 4.2Å; V435-Y536 HydrophobicContact CG2-CD2 4.03Å; V435-Y536 HydrophobicContact CG2-CE2 4.5Å; V435-Y536 HydrophobicContact CG2-CG 3.83Å; T528-Y536 WeakPolarHBondContact CA-O 3.3Å; T528-Y536 WeakPolarHBondContact CG2-O 3.27Å; Y529-Y536 PolarHBondContact N-O 2.69Å; Y529-Y536 PolarHBondContact O-N 2.87Å; L531-Y536 HydrophobicContact CD1-CD2 4.21Å; L531-Y536 HydrophobicContact CD1-CE2 3.65Å; L531-Y536 HydrophobicContact CG-CE2 4.49Å; R534-Y536 HydrophobicContact CG-CE2 4.32Å
537	D	93.8	Very high	91.9	Very high	32 Å²	32	28 Å²	28	17%	0.171	15%	0.148	C	C	.	.			trans	-69.5	143.2	-169.4	-61.7	-33	0	0	0	112.7	R525 R535 L539	R525-D537 PolarHBondContact NH1-O 3.45Å; R535-D537 VanDerWaalsContact CD-OD1 3.22Å; R535-D537 WeakPolarHBondContact CD-OD1 3.36Å; R535-D537 WeakPolarHBondContact CG-OD1 3.43Å; R535-D537 IonicContact NE-OD1 3.19Å; R535-D537 PolarHBondContact NE-OD1 2.94Å; R535-D537 IonicContact NE-OD2 3.88Å; D537-L539 VanDerWaalsContact C-N 3.32Å; D537-L539 WeakPolarHBondContact CB-O 3.36Å
538	M	95.6	Very high	91.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-67.6	-35.1	170.6	-174.8	-179.7	70.8	0	0	111.9	A522 R525 T528 P798 I799 Y802 I805	A522-M538 HydrophobicContact CB-CG 4Å; A522-M538 HydrophobicContact CB-SD 4.34Å; R525-M538 HydrophobicContact CB-CG 4.28Å; T528-M538 PolarHBondContact OG1-N 3.48Å; T528-M538 VanDerWaalsContact OG1-N 3.08Å; M538-P798 WeakPolarHBondContact CE-O 3.37Å; M538-I799 WeakPolarHBondContact CE-O 3.33Å; M538-Y802 PolarHBondContact SD-N 2.93Å; M538-I805 HydrophobicContact CE-CD1 3.74Å
539	L	95.3	Very high	91.8	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	-116.7	160.1	-178.1	-60.7	174.5	0	0	0	110.7	V508 V512 I518 A522 D537	V508-L539 HydrophobicContact CG1-CD1 3.59Å; V508-L539 HydrophobicContact CG2-CD1 4.33Å; V512-L539 HydrophobicContact CG2-CD2 4.21Å; I518-L539 HydrophobicContact CG1-CD2 4.34Å; A522-L539 HydrophobicContact CB-CD2 3.82Å; D537-L539 VanDerWaalsContact C-N 3.32Å; D537-L539 WeakPolarHBondContact CB-O 3.36Å
540	P	94.4	Very high	91.8	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	14%	0.141	C	C	.	.			trans	-66.6	150.3	177.7	-18.6	34.8	0	0	0	111.1	F438 M443 M446 I518 V542 L543 S544	F438-P540 HydrophobicContact CD1-CG 4.02Å; F438-P540 HydrophobicContact CD2-CB 4.1Å; F438-P540 HydrophobicContact CD2-CG 4.15Å; F438-P540 HydrophobicContact CE1-CG 4.08Å; F438-P540 HydrophobicContact CE2-CB 4.2Å; F438-P540 HydrophobicContact CE2-CG 4.22Å; F438-P540 HydrophobicContact CG-CB 4.42Å; F438-P540 HydrophobicContact CG-CG 4.05Å; F438-P540 HydrophobicContact CZ-CG 4.18Å; M443-P540 HydrophobicContact SD-CB 4Å; M443-P540 HydrophobicContact SD-CG 4.39Å; M446-P540 HydrophobicContact CE-CG 4.32Å; M446-P540 HydrophobicContact SD-CB 4.04Å; M446-P540 HydrophobicContact SD-CG 3.79Å; I518-P540 VanDerWaalsContact CD1-CD 3.46Å; I518-P540 HydrophobicContact CD1-CG 3.3Å; I518-P540 HydrophobicContact CG1-CG 4.01Å; P540-V542 PolarHBondContact O-N 3.45Å; P540-V542 VanDerWaalsContact O-N 3.11Å; P540-L543 WeakPolarHBondContact O-CA 3.47Å; P540-L543 PolarHBondContact O-N 3.29Å; P540-S544 PolarHBondContact O-N 3.14Å; P540-S544 PolarHBondContact O-OG 3.33Å
541	S	91.6	Very high	91.8	Very high	74 Å²	74	25.5 Å²	25.5	52%	0.517	14%	0.138	S	C	.	.	H	α-helix	trans	-54.8	-33	-177.8	55.2	0	0	0	0	113.8	L543 S544 A545	S541-L543 PolarHBondContact O-N 2.96Å; S541-S544 WeakPolarHBondContact CA-OG 3.2Å; S541-S544 PolarHBondContact O-N 2.99Å; S541-A545 WeakPolarHBondContact O-CB 3.36Å; S541-A545 PolarHBondContact O-N 3.48Å
542	V	93.1	Very high	91.7	Very high	39 Å²	39	26.1 Å²	26.1	24%	0.236	15%	0.148	C	C	.	.	I	π-helix	trans	-56	-37.3	174.7	-176.9	0	0	0	0	111.6	M443 M446 P540 L547	M443-V542 HydrophobicContact CE-CG2 4.17Å; M446-V542 HydrophobicContact CB-CG1 4.36Å; P540-V542 PolarHBondContact O-N 3.45Å; P540-V542 VanDerWaalsContact O-N 3.11Å; V542-L547 HydrophobicContact CG1-CD1 4.02Å; V542-L547 HydrophobicContact CG1-CG 4.47Å; V542-L547 WeakPolarHBondContact O-CB 3.41Å; V542-L547 WeakPolarHBondContact O-CG 3.39Å; V542-L547 PolarHBondContact O-N 3.07Å
543	L	93.9	Very high	91.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.154	C	C	.	.	I	π-helix	trans	-88.4	-52.2	175.4	-64	-178.7	0	0	0	111.5	M446 F511 V512 P540 S541 L547 C548	M446-L543 HydrophobicContact CE-CD1 3.83Å; M446-L543 HydrophobicContact CE-CG 4.41Å; M446-L543 HydrophobicContact SD-CD1 3.7Å; M446-L543 HydrophobicContact SD-CD2 4.34Å; M446-L543 HydrophobicContact SD-CG 3.63Å; F511-L543 HydrophobicContact CB-CD1 4.38Å; F511-L543 HydrophobicContact CB-CD2 3.78Å; F511-L543 HydrophobicContact CD1-CD2 4.33Å; F511-L543 HydrophobicContact CG-CD2 3.99Å; V512-L543 HydrophobicContact CG2-CD1 3.91Å; P540-L543 WeakPolarHBondContact O-CA 3.47Å; P540-L543 PolarHBondContact O-N 3.29Å; S541-L543 PolarHBondContact O-N 2.96Å; L543-L547 HydrophobicContact CD2-CB 4.25Å; L543-L547 HydrophobicContact CD2-CD1 4.16Å; L543-C548 WeakPolarHBondContact O-CB 3.34Å; L543-C548 PolarHBondContact O-N 3.43Å
544	S	91.6	Very high	92.1	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.007	16%	0.159	C	C	.	.	I	π-helix	trans	-70.3	-39.9	-169.4	56.9	0	0	0	0	114	P540 S541 I799	P540-S544 PolarHBondContact O-N 3.14Å; P540-S544 PolarHBondContact O-OG 3.33Å; S541-S544 WeakPolarHBondContact CA-OG 3.2Å; S541-S544 PolarHBondContact O-N 2.99Å; S544-I799 VanDerWaalsContact CB-CG2 3.47Å
545	A	88.5	Confident	92.5	Very high	28 Å²	28	25.4 Å²	25.4	23%	0.231	16%	0.156	C	C	.	.	I	π-helix	trans	-98.2	-8.5	-174.9	0	0	0	0	0	113.6	E483 S541	E483-A545 HydrophobicContact CB-CB 4.45Å; S541-A545 WeakPolarHBondContact O-CB 3.36Å; S541-A545 PolarHBondContact O-N 3.48Å
546	D	91.3	Very high	92.7	Very high	52 Å²	52	23.5 Å²	23.5	28%	0.278	15%	0.149	S	C	.	.	I	π-helix	trans	-137.1	-74.8	-177.1	-169.6	4.7	0	0	0	114.4	N449 C548 S549 R556	N449-D546 PolarHBondContact ND2-OD2 3.49Å; D546-C548 PolarHBondContact O-N 3.36Å; D546-S549 PolarHBondContact O-N 2.91Å; D546-R556 PolarHBondContact O-NE 2.96Å; D546-R556 PolarHBondContact O-NH2 2.64Å; D546-R556 IonicContact OD1-CZ 3.85Å; D546-R556 IonicContact OD1-NH2 3.98Å; D546-R556 PolarHBondContact OD1-NH2 3.47Å
547	L	92.3	Very high	92.9	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.01	14%	0.14	C	C	.	.	I	π-helix	trans	-66.7	-38	-166.6	-68.5	-177.4	0	0	0	114.3	P447 N449 W455 F511 V542 L543 R556	P447-L547 HydrophobicContact CB-CD1 3.8Å; P447-L547 HydrophobicContact CG-CD1 3.76Å; N449-L547 HydrophobicContact CB-CD1 4.3Å; N449-L547 HydrophobicContact CB-CD2 4.06Å; N449-L547 HydrophobicContact CB-CG 4.42Å; N449-L547 WeakPolarHBondContact ND2-CD2 3.19Å; W455-L547 HydrophobicContact CB-CD2 3.45Å; W455-L547 VanDerWaalsContact CB-CD2 3.45Å; W455-L547 HydrophobicContact CD2-CD2 3.86Å; W455-L547 HydrophobicContact CE3-CD2 4.2Å; W455-L547 HydrophobicContact CG-CD2 3.54Å; F511-L547 HydrophobicContact CZ-CB 4.4Å; V542-L547 HydrophobicContact CG1-CD1 4.02Å; V542-L547 HydrophobicContact CG1-CG 4.47Å; V542-L547 WeakPolarHBondContact O-CB 3.41Å; V542-L547 WeakPolarHBondContact O-CG 3.39Å; V542-L547 PolarHBondContact O-N 3.07Å; L543-L547 HydrophobicContact CD2-CB 4.25Å; L543-L547 HydrophobicContact CD2-CD1 4.16Å; L547-R556 WeakPolarHBondContact O-CD 3.32Å
548	C	93.9	Very high	93.1	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.014	13%	0.132	C	C	.	.	S	Bend	trans	-88.4	-26.7	175.5	-60.4	0	0	0	0	111.8	A506 V508 F511 L543 D546 L550 I799	A506-C548 HydrophobicContact CB-CB 4.4Å; A506-C548 WeakPolarHBondContact CB-O 3.43Å; V508-C548 HydrophobicContact CG2-CB 4.03Å; F511-C548 VanDerWaalsContact CD2-SG 3.51Å; L543-C548 WeakPolarHBondContact O-CB 3.34Å; L543-C548 PolarHBondContact O-N 3.43Å; D546-C548 PolarHBondContact O-N 3.36Å; C548-L550 PolarHBondContact O-N 3.5Å; C548-I799 HydrophobicContact CB-CD1 4.14Å; C548-I799 HydrophobicContact CB-CG1 4.03Å
549	S	94.4	Very high	93.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-64.3	130.3	-179.2	-169.7	0	0	0	0	110.5	E483 V485 D546 L551 R556	E483-S549 WeakPolarHBondContact O-CB 3.31Å; E483-S549 PolarHBondContact O-OG 2.62Å; V485-S549 PolarHBondContact N-OG 3.14Å; V485-S549 VanDerWaalsContact N-OG 3.09Å; D546-S549 PolarHBondContact O-N 2.91Å; S549-L551 PolarHBondContact O-N 3.41Å; S549-L551 WeakPolarHBondContact OG-CD2 3.45Å; S549-R556 WeakPolarHBondContact O-CD 3.4Å; S549-R556 PolarHBondContact O-NE 2.73Å
550	L	94.7	Very high	93.4	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	13%	0.132	C	C	.	.			trans	-81.3	54.5	-177.3	-57.7	-177.2	0	0	0	111.8	V485 D486 T488 H504 A506 C548 R556 I582	V485-L550 HydrophobicContact CB-CB 4.49Å; V485-L550 HydrophobicContact CG1-CB 4.07Å; V485-L550 PolarHBondContact O-N 3.13Å; D486-L550 WeakPolarHBondContact O-CD1 3.31Å; T488-L550 HydrophobicContact CG2-CB 3.68Å; T488-L550 HydrophobicContact CG2-CD1 3.76Å; T488-L550 HydrophobicContact CG2-CG 4.39Å; H504-L550 WeakPolarHBondContact O-CD1 3.5Å; A506-L550 HydrophobicContact CB-CD2 4.47Å; A506-L550 HydrophobicContact CB-CG 4.35Å; C548-L550 PolarHBondContact O-N 3.5Å; L550-R556 HydrophobicContact CD2-CB 3.75Å; L550-R556 HydrophobicContact CD2-CG 4.41Å; L550-I582 HydrophobicContact CD1-CD1 3.92Å; L550-I582 HydrophobicContact CD2-CD1 3.9Å; L550-I582 HydrophobicContact CD2-CG1 4.45Å; L550-I582 HydrophobicContact CG-CD1 4.36Å
551	L	90.3	Very high	93.6	Very high	40 Å²	40	19.7 Å²	19.7	21%	0.209	13%	0.131	C	C	.	.			trans	-60.8	151.6	-177	-59.7	177.1	0	0	0	112.8	S549 V554	S549-L551 PolarHBondContact O-N 3.41Å; S549-L551 WeakPolarHBondContact OG-CD2 3.45Å; L551-V554 HydrophobicContact CB-CG2 3.77Å; L551-V554 WeakPolarHBondContact O-CG2 3.32Å
552	G	88.8	Confident	93.9	Very high	29 Å²	29	16.2 Å²	16.2	30%	0.299	11%	0.107	S	C	.	.	B	Isolated β-bridge	trans	-64.2	139.7	176.8	0	0	0	0	0	112.8	V554 S584	G552-V554 VanDerWaalsContact C-N 3.29Å; G552-V554 PolarHBondContact O-N 3.15Å; G552-S584 CarbonylContact C-O 3.36Å
553	G	88.6	Confident	94.2	Very high	35 Å²	35	14.4 Å²	14.4	36%	0.361	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	4.1	171.9	0	0	0	0	0	116.1	R583 S584	G553-R583 PolarHBondContact O-NH1 2.92Å; G553-R583 PolarHBondContact O-NH2 3.04Å; G553-S584 PolarHBondContact N-O 2.83Å
554	V	91.8	Very high	94.3	Very high	50 Å²	50	16.2 Å²	16.2	30%	0.303	11%	0.105	S	C	.	.	S	Bend	trans	-123	148.2	-179.1	-66	0	0	0	0	112.1	L551 G552 R556	L551-V554 HydrophobicContact CB-CG2 3.77Å; L551-V554 WeakPolarHBondContact O-CG2 3.32Å; G552-V554 VanDerWaalsContact C-N 3.29Å; G552-V554 PolarHBondContact O-N 3.15Å; V554-R556 HydrophobicContact CG2-CG 4.17Å
555	D	95	Very high	94.5	Very high	37 Å²	37	16.4 Å²	16.4	20%	0.198	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	130.1	178.6	-67.1	14.8	0	0	0	109.4	V457 R469 I582 R583	V457-D555 HydrophobicContact CG2-CB 3.79Å; R469-D555 WeakPolarHBondContact CD-OD2 3.49Å; R469-D555 IonicContact CZ-OD2 3.09Å; R469-D555 IonicContact NE-OD2 3.98Å; R469-D555 IonicContact NH1-OD2 2.88Å; R469-D555 PolarHBondContact NH1-OD2 3.27Å; D555-I582 WeakPolarHBondContact CA-O 3.47Å; D555-R583 IonicContact OD1-CZ 2.67Å; D555-R583 IonicContact OD1-NH1 3.5Å; D555-R583 PolarHBondContact OD1-NH1 2.97Å
556	R	95.5	Very high	94.8	Very high	19 Å²	19	16.3 Å²	16.3	7%	0.072	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	152	-175.5	-69.1	-70.4	-179.8	-93.4	8.4	112.1	D546 L547 S549 L550 V554 I582	D546-R556 PolarHBondContact O-NE 2.96Å; D546-R556 PolarHBondContact O-NH2 2.64Å; D546-R556 IonicContact OD1-CZ 3.85Å; D546-R556 IonicContact OD1-NH2 3.98Å; D546-R556 PolarHBondContact OD1-NH2 3.47Å; L547-R556 WeakPolarHBondContact O-CD 3.32Å; S549-R556 WeakPolarHBondContact O-CD 3.4Å; S549-R556 PolarHBondContact O-NE 2.73Å; L550-R556 HydrophobicContact CD2-CB 3.75Å; L550-R556 HydrophobicContact CD2-CG 4.41Å; V554-R556 HydrophobicContact CG2-CG 4.17Å; R556-I582 PolarHBondContact N-O 3.06Å; R556-I582 PolarHBondContact O-N 2.8Å
557	Y	97.4	Very high	94.6	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.016	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	132.3	173	-69.1	-36.9	0	0	0	110.8	W455 V457 S458 E461 R465 D507 H510 F511 I581	W455-Y557 AromaticContact CH2-CD2 3.79Å; W455-Y557 HydrophobicContact CH2-CD2 3.79Å; W455-Y557 AromaticContact CH2-CE2 3.59Å; W455-Y557 HydrophobicContact CH2-CE2 3.59Å; W455-Y557 HydrophobicContact CH2-CG 4.33Å; W455-Y557 AromaticContact CH2-CZ 3.95Å; W455-Y557 AromaticContact CZ2-CD2 3.83Å; W455-Y557 HydrophobicContact CZ2-CD2 3.83Å; W455-Y557 AromaticContact CZ2-CE2 3.38Å; W455-Y557 HydrophobicContact CZ2-CE2 3.38Å; V457-Y557 HydrophobicContact CG1-CE1 3.72Å; V457-Y557 HydrophobicContact CG2-CE1 4.42Å; S458-Y557 PolarHBondContact N-OH 3.07Å; S458-Y557 PolarHBondContact OG-OH 3.1Å; E461-Y557 HydrophobicContact CB-CE1 3.81Å; E461-Y557 WeakPolarHBondContact CB-OH 2.91Å; E461-Y557 HydrophobicContact CG-CE1 4.46Å; E461-Y557 HydrophobicContact CG-CE2 4.41Å; R465-Y557 VanDerWaalsContact CD-CD1 3.48Å; D507-Y557 PolarHBondContact N-O 2.89Å; D507-Y557 VanDerWaalsContact N-O 3.09Å; H510-Y557 AromaticContact CD2-CD2 3.54Å; H510-Y557 AromaticContact CD2-CE2 3.6Å; H510-Y557 AromaticContact NE2-CD2 3.86Å; H510-Y557 AromaticContact NE2-CE2 3.4Å; H510-Y557 WeakPolarHBondContact NE2-CE2 3.29Å; F511-Y557 HydrophobicContact CE2-CD2 4.36Å; F511-Y557 AromaticContact CZ-CD2 4Å; F511-Y557 HydrophobicContact CZ-CD2 4Å; Y557-I581 HydrophobicContact CD1-CG1 3.92Å; Y557-I581 HydrophobicContact CE1-CD1 4.28Å; Y557-I581 HydrophobicContact CE1-CG1 3.94Å
558	A	98	Very high	94.2	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	157.8	176.3	0	0	0	0	0	111.9	H504 I505 R579 T580 I582	H504-A558 HydrophobicContact CB-CB 4.05Å; I505-A558 CarbonylContact O-C 3.22Å; I505-A558 WeakPolarHBondContact O-CA 3.4Å; I505-A558 WeakPolarHBondContact O-CB 3.5Å; A558-R579 WeakPolarHBondContact O-CA 3.3Å; A558-T580 PolarHBondContact N-O 3.42Å; A558-T580 VanDerWaalsContact N-O 3.1Å; A558-T580 PolarHBondContact O-N 3.46Å; A558-T580 PolarHBondContact O-OG1 2.89Å; A558-I582 HydrophobicContact CB-CD1 3.92Å; A558-I582 HydrophobicContact CB-CG1 4Å; A558-I582 HydrophobicContact CB-CG2 4.32Å
559	V	98.3	Very high	93.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	121.4	161.3	-174.7	0	0	0	0	106.5	I505 D507 R579 F795 H808 L811 M812	I505-V559 PolarHBondContact N-O 3.43Å; I505-V559 PolarHBondContact O-N 3.46Å; D507-V559 HydrophobicContact CB-CG2 3.91Å; V559-R579 HydrophobicContact CG2-CG 4.33Å; V559-F795 HydrophobicContact CB-CE2 4.48Å; V559-F795 HydrophobicContact CB-CZ 4.02Å; V559-F795 HydrophobicContact CG1-CE2 3.97Å; V559-F795 HydrophobicContact CG1-CZ 3.67Å; V559-H808 WeakPolarHBondContact CG2-ND1 3.5Å; V559-L811 HydrophobicContact CG1-CD2 4.14Å; V559-M812 HydrophobicContact CG1-CE 3.49Å; V559-M812 VanDerWaalsContact CG1-CE 3.49Å; V559-M812 HydrophobicContact CG2-CE 4.47Å
560	S	98.4	Very high	93.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	144.7	-172.6	-52.5	0	0	0	0	112.3	V503 H504 G578 T580	V503-S560 VanDerWaalsContact O-CA 3.28Å; V503-S560 WeakPolarHBondContact O-CA 3.31Å; H504-S560 WeakPolarHBondContact CB-OG 3.43Å; H504-S560 VanDerWaalsContact ND1-CB 3.33Å; H504-S560 WeakPolarHBondContact ND1-CB 3.26Å; H504-S560 PolarHBondContact ND1-OG 2.91Å; S560-G578 PolarHBondContact N-O 2.71Å; S560-G578 PolarHBondContact O-N 2.97Å; S560-G578 VanDerWaalsContact O-N 3.09Å; S560-T580 VanDerWaalsContact OG-CG2 3.32Å; S560-T580 WeakPolarHBondContact OG-CG2 3.28Å; S560-T580 PolarHBondContact OG-OG1 3.22Å
561	I	98.3	Very high	93.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.1	162	-53.7	96.2	0	0	0	107.3	V503 W563 V575 W576 Y577 A688 V692 F795	V503-I561 PolarHBondContact N-O 3.18Å; V503-I561 PolarHBondContact O-N 2.77Å; I561-W563 HydrophobicContact CB-CH2 3.72Å; I561-W563 HydrophobicContact CB-CZ2 4.01Å; I561-W563 HydrophobicContact CB-CZ3 4.08Å; I561-W563 HydrophobicContact CG2-CD2 4.03Å; I561-W563 HydrophobicContact CG2-CE3 4.22Å; I561-W563 HydrophobicContact CG2-CH2 3.56Å; I561-W563 HydrophobicContact CG2-CZ2 3.34Å; I561-W563 HydrophobicContact CG2-CZ3 4Å; I561-V575 HydrophobicContact CG2-CG1 3.62Å; I561-W576 WeakPolarHBondContact CA-O 3.3Å; I561-Y577 HydrophobicContact CB-CD1 4.38Å; I561-Y577 HydrophobicContact CG1-CD1 3.66Å; I561-Y577 HydrophobicContact CG1-CE1 3.99Å; I561-Y577 HydrophobicContact CG2-CD1 3.97Å; I561-Y577 HydrophobicContact CG2-CE1 3.8Å; I561-A688 HydrophobicContact CD1-CB 4.3Å; I561-V692 HydrophobicContact CD1-CG2 3.75Å; I561-V692 HydrophobicContact CG1-CG2 3.88Å; I561-F795 HydrophobicContact CD1-CD1 3.78Å; I561-F795 HydrophobicContact CD1-CE1 3.12Å; I561-F795 HydrophobicContact CD1-CZ 3.68Å
562	M	98.1	Very high	93.7	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129.7	175.9	-69.8	176.7	-72	0	0	109.3	K466 L468 E500 L501 V575 W576	K466-M562 HydrophobicContact CD-CE 4.07Å; L468-M562 HydrophobicContact CD1-SD 4.23Å; L468-M562 HydrophobicContact CD2-SD 4.49Å; E500-M562 HydrophobicContact CG-CB 4.33Å; L501-M562 CarbonylContact O-C 3.53Å; L501-M562 VanDerWaalsContact O-CA 3.23Å; L501-M562 WeakPolarHBondContact O-CA 3.41Å; M562-V575 WeakPolarHBondContact O-CA 3.42Å; M562-W576 HydrophobicContact CB-CB 4.45Å; M562-W576 HydrophobicContact CE-CD2 3.67Å; M562-W576 HydrophobicContact CE-CE3 3.07Å; M562-W576 HydrophobicContact CE-CG 4.4Å; M562-W576 HydrophobicContact CE-CH2 4.03Å; M562-W576 HydrophobicContact CE-CZ3 3.29Å; M562-W576 PolarHBondContact N-O 3.16Å; M562-W576 PolarHBondContact O-N 2.86Å
563	W	98.1	Very high	93.9	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	130.9	177.2	-61.2	-95.5	0	0	0	109.7	E500 L501 V503 I561 L565 E574 V575 L687 A688 W691	E500-W563 CarbonylContact C-O 3.53Å; E500-W563 VanDerWaalsContact CA-O 3.3Å; E500-W563 WeakPolarHBondContact CA-O 3.32Å; L501-W563 HydrophobicContact CB-CE3 4.4Å; L501-W563 HydrophobicContact CD2-CE3 4.1Å; L501-W563 HydrophobicContact CG-CE3 4.01Å; L501-W563 HydrophobicContact CG-CZ3 4.44Å; L501-W563 PolarHBondContact N-O 3.4Å; L501-W563 PolarHBondContact O-N 2.88Å; V503-W563 HydrophobicContact CB-CH2 4.2Å; V503-W563 HydrophobicContact CB-CZ3 3.91Å; V503-W563 HydrophobicContact CG2-CH2 4.06Å; V503-W563 HydrophobicContact CG2-CZ3 3.64Å; I561-W563 HydrophobicContact CB-CH2 3.72Å; I561-W563 HydrophobicContact CB-CZ2 4.01Å; I561-W563 HydrophobicContact CB-CZ3 4.08Å; I561-W563 HydrophobicContact CG2-CD2 4.03Å; I561-W563 HydrophobicContact CG2-CE3 4.22Å; I561-W563 HydrophobicContact CG2-CH2 3.56Å; I561-W563 HydrophobicContact CG2-CZ2 3.34Å; I561-W563 HydrophobicContact CG2-CZ3 4Å; W563-L565 HydrophobicContact CB-CD2 3.81Å; W563-L565 HydrophobicContact CB-CG 4.32Å; W563-E574 WeakPolarHBondContact CA-O 3.47Å; W563-V575 VanDerWaalsContact CD1-CG2 3.49Å; W563-V575 HydrophobicContact CG-CG1 4.37Å; W563-L687 HydrophobicContact CD2-CD2 4.27Å; W563-L687 HydrophobicContact CE3-CD2 4.49Å; W563-L687 HydrophobicContact CH2-CD2 4.49Å; W563-L687 HydrophobicContact CH2-CG 4.37Å; W563-L687 HydrophobicContact CZ2-CD2 4.24Å; W563-L687 HydrophobicContact CZ2-CG 3.89Å; W563-A688 HydrophobicContact CH2-CB 3.83Å; W563-A688 HydrophobicContact CZ2-CB 4.47Å; W563-W691 AromaticContact CE2-CD1 3.84Å; W563-W691 HydrophobicContact CZ2-CB 4.16Å; W563-W691 AromaticContact CZ2-CD1 3.97Å; W563-W691 HydrophobicContact CZ2-CG 4.25Å; W563-W691 AromaticContact NE1-CD1 3.16Å; W563-W691 AromaticContact NE1-CD2 3.81Å; W563-W691 AromaticContact NE1-CE2 3.81Å; W563-W691 AromaticContact NE1-CG 3.4Å; W563-W691 AromaticContact NE1-NE1 3.42Å
564	E	97.6	Very high	94.2	Very high	39 Å²	39	40.6 Å²	40.6	18%	0.182	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	117.4	163	-177.9	168.7	176.7	0	0	108.7	L494 N496 N498 L499 K573 E574	L494-E564 HydrophobicContact CD1-CB 4.49Å; L494-E564 HydrophobicContact CD1-CG 3.8Å; N496-E564 PolarHBondContact ND2-OE1 2.72Å; N498-E564 HydrophobicContact CB-CG 3.96Å; N498-E564 PolarHBondContact ND2-OE1 3.37Å; L499-E564 CarbonylContact O-C 3.56Å; L499-E564 WeakPolarHBondContact O-CA 3.45Å; E564-K573 HydrophobicContact CG-CB 4.49Å; E564-K573 PolarHBondContact O-N 3.41Å; E564-E574 HydrophobicContact CB-CB 4.23Å; E564-E574 PolarHBondContact N-O 3.38Å
565	L	96	Very high	94.5	Very high	4 Å²	4	40 Å²	40	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	142	-177.1	-52.4	178.8	0	0	0	110.4	N498 L499 L501 W563 E571 I572 I635	N498-L565 VanDerWaalsContact CB-O 3.24Å; N498-L565 WeakPolarHBondContact CB-O 3.46Å; L499-L565 HydrophobicContact CB-CB 4.29Å; L499-L565 PolarHBondContact N-O 2.77Å; L499-L565 PolarHBondContact O-N 2.85Å; L501-L565 HydrophobicContact CB-CD1 3.9Å; L501-L565 HydrophobicContact CB-CG 4.48Å; L501-L565 HydrophobicContact CD2-CD1 4.31Å; W563-L565 HydrophobicContact CB-CD2 3.81Å; W563-L565 HydrophobicContact CB-CG 4.32Å; L565-E571 CarbonylContact C-O 3.51Å; L565-E571 WeakPolarHBondContact CA-O 3.48Å; L565-I572 HydrophobicContact CD2-CB 4.3Å; L565-I572 HydrophobicContact CD2-CG1 3.49Å; L565-I572 VanDerWaalsContact CD2-CG1 3.49Å; L565-I635 HydrophobicContact CD1-CD1 3.88Å; L565-I635 HydrophobicContact CD1-CG1 4.31Å; L565-I635 HydrophobicContact CD1-CG2 3.97Å
566	D	93.1	Very high	94.6	Very high	26 Å²	26	42.6 Å²	42.6	14%	0.139	20%	0.202	C	C	.	.			trans	-57.6	144	165.8	-168.6	-95.7	0	0	0	111.3	T568 S569 Y570 E571 K573	D566-T568 VanDerWaalsContact C-N 3.27Å; D566-T568 PolarHBondContact O-N 3.24Å; D566-T568 PolarHBondContact OD1-N 2.73Å; D566-S569 VanDerWaalsContact CB-OG 3.22Å; D566-S569 WeakPolarHBondContact CB-OG 3.33Å; D566-S569 PolarHBondContact OD1-N 3.22Å; D566-S569 PolarHBondContact OD1-OG 2.87Å; D566-Y570 WeakPolarHBondContact O-CA 3.41Å; D566-Y570 WeakPolarHBondContact O-CD1 3.38Å; D566-Y570 PolarHBondContact O-N 2.87Å; D566-E571 PolarHBondContact N-O 3.15Å; D566-K573 WeakPolarHBondContact OD2-CE 3.4Å; D566-K573 IonicContact OD2-NZ 3.16Å; D566-K573 PolarHBondContact OD2-NZ 3.11Å
567	K	88.4	Confident	94.7	Very high	134 Å²	134	43.3 Å²	43.3	58%	0.583	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-32.6	-177.8	-171.1	-177.3	177.1	-179	0	113.2	G497 Y570	G497-K567 WeakPolarHBondContact O-CB 3.39Å; G497-K567 WeakPolarHBondContact O-CD 3.42Å; K567-Y570 WeakPolarHBondContact O-CE1 3.46Å
568	T	84.1	Confident	94.6	Very high	102 Å²	102	43.4 Å²	43.4	63%	0.626	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.4	-49.3	-170.4	-50.2	0	0	0	0	111.2	D566 Y570	D566-T568 VanDerWaalsContact C-N 3.27Å; D566-T568 PolarHBondContact O-N 3.24Å; D566-T568 PolarHBondContact OD1-N 2.73Å; T568-Y570 VanDerWaalsContact C-N 3.33Å
569	S	86.7	Confident	94.6	Very high	15 Å²	15	47 Å²	47	11%	0.105	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-14.5	-178.8	65.9	0	0	0	0	113.3	D566 E571 H638	D566-S569 VanDerWaalsContact CB-OG 3.22Å; D566-S569 WeakPolarHBondContact CB-OG 3.33Å; D566-S569 PolarHBondContact OD1-N 3.22Å; D566-S569 PolarHBondContact OD1-OG 2.87Å; S569-E571 PolarHBondContact O-N 2.86Å; S569-E571 WeakPolarHBondContact OG-CB 3.28Å; S569-E571 WeakPolarHBondContact OG-CG 3.39Å; S569-E571 PolarHBondContact OG-N 3.38Å; S569-H638 PolarHBondContact O-NE2 3.05Å
570	Y	92	Very high	94.6	Very high	41 Å²	41	47 Å²	47	16%	0.161	22%	0.222	C	C	.	.			trans	54.3	17.7	-170.3	-53.5	-43.2	0	0	0	114.3	L499 D566 K567 T568 I635 H638	L499-Y570 HydrophobicContact CD1-CD1 4.16Å; L499-Y570 HydrophobicContact CD1-CE1 3.76Å; D566-Y570 WeakPolarHBondContact O-CA 3.41Å; D566-Y570 WeakPolarHBondContact O-CD1 3.38Å; D566-Y570 PolarHBondContact O-N 2.87Å; K567-Y570 WeakPolarHBondContact O-CE1 3.46Å; T568-Y570 VanDerWaalsContact C-N 3.33Å; Y570-I635 HydrophobicContact CD1-CG1 4.09Å; Y570-I635 HydrophobicContact CD2-CG1 4.49Å; Y570-I635 HydrophobicContact CE1-CG1 4.14Å; Y570-I635 HydrophobicContact CG-CG1 4.27Å; Y570-H638 HydrophobicContact CD2-CB 3.8Å; Y570-H638 AromaticContact CD2-CG 3.84Å; Y570-H638 HydrophobicContact CE2-CB 4.42Å
571	E	90.1	Very high	94.6	Very high	89 Å²	89	47 Å²	47	42%	0.416	22%	0.222	S	C	.	.			trans	-65	139.3	174.4	-75.5	178.6	170.9	0	0	110.7	L565 D566 S569 K573	L565-E571 CarbonylContact C-O 3.51Å; L565-E571 WeakPolarHBondContact CA-O 3.48Å; D566-E571 PolarHBondContact N-O 3.15Å; S569-E571 PolarHBondContact O-N 2.86Å; S569-E571 WeakPolarHBondContact OG-CB 3.28Å; S569-E571 WeakPolarHBondContact OG-CG 3.39Å; S569-E571 PolarHBondContact OG-N 3.38Å; E571-K573 PolarHBondContact O-N 2.93Å
572	I	93.6	Very high	94.5	Very high	58 Å²	58	47.1 Å²	47.1	30%	0.297	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	115.8	-179.4	-63.8	168.2	0	0	0	108.9	L565 V575 L687 W691	L565-I572 HydrophobicContact CD2-CB 4.3Å; L565-I572 HydrophobicContact CD2-CG1 3.49Å; L565-I572 VanDerWaalsContact CD2-CG1 3.49Å; I572-V575 HydrophobicContact CG2-CG2 3.58Å; I572-L687 HydrophobicContact CD1-CD1 4.04Å; I572-W691 HydrophobicContact CB-CZ2 4.2Å; I572-W691 HydrophobicContact CD1-CZ2 3.7Å; I572-W691 VanDerWaalsContact CD1-NE1 3.31Å; I572-W691 HydrophobicContact CG2-CH2 4.16Å; I572-W691 HydrophobicContact CG2-CZ2 3.73Å
573	K	93.3	Very high	94.4	Very high	100 Å²	100	52.7 Å²	52.7	44%	0.435	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-48.9	177.9	-64.6	-177.8	-178.4	171.7	0	111.8	N498 E564 D566 E571	N498-K573 PolarHBondContact ND2-NZ 3.37Å; N498-K573 PolarHBondContact OD1-NZ 2.98Å; E564-K573 HydrophobicContact CG-CB 4.49Å; E564-K573 PolarHBondContact O-N 3.41Å; D566-K573 WeakPolarHBondContact OD2-CE 3.4Å; D566-K573 IonicContact OD2-NZ 3.16Å; D566-K573 PolarHBondContact OD2-NZ 3.11Å; E571-K573 PolarHBondContact O-N 2.93Å
574	E	94.6	Very high	94.2	Very high	133 Å²	133	52.8 Å²	52.8	62%	0.621	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-138.8	150.8	-179.1	-65.6	-163.8	171.7	0	0	111.1	W563 E564	W563-E574 WeakPolarHBondContact CA-O 3.47Å; E564-E574 HydrophobicContact CB-CB 4.23Å; E564-E574 PolarHBondContact N-O 3.38Å
575	V	97	Very high	94	Very high	37 Å²	37	52.6 Å²	52.6	22%	0.224	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	126.4	175.6	-164.8	0	0	0	0	109.9	I561 M562 W563 I572 Y577 W691	I561-V575 HydrophobicContact CG2-CG1 3.62Å; M562-V575 WeakPolarHBondContact O-CA 3.42Å; W563-V575 VanDerWaalsContact CD1-CG2 3.49Å; W563-V575 HydrophobicContact CG-CG1 4.37Å; I572-V575 HydrophobicContact CG2-CG2 3.58Å; V575-Y577 HydrophobicContact CB-CE2 4.09Å; V575-Y577 HydrophobicContact CG1-CE1 3.95Å; V575-Y577 HydrophobicContact CG1-CE2 3.75Å; V575-Y577 VanDerWaalsContact CG1-CZ 3.42Å; V575-Y577 WeakPolarHBondContact CG1-OH 3.3Å; V575-W691 HydrophobicContact CB-CE3 4.36Å; V575-W691 HydrophobicContact CB-CZ3 4.46Å; V575-W691 HydrophobicContact CG1-CE3 4.44Å; V575-W691 HydrophobicContact CG2-CD2 3.97Å; V575-W691 HydrophobicContact CG2-CE3 3.73Å; V575-W691 HydrophobicContact CG2-CH2 3.73Å; V575-W691 HydrophobicContact CG2-CZ2 4.01Å; V575-W691 HydrophobicContact CG2-CZ3 3.59Å
576	W	97.7	Very high	93.7	Very high	91 Å²	91	52.8 Å²	52.8	35%	0.345	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	138.1	176.5	-177.4	93.8	0	0	0	110.7	K466 I561 M562 G578 T580	K466-W576 HydrophobicContact CB-CH2 4.13Å; K466-W576 HydrophobicContact CB-CZ2 4.21Å; K466-W576 HydrophobicContact CD-CH2 4.03Å; K466-W576 HydrophobicContact CD-CZ2 3.81Å; I561-W576 WeakPolarHBondContact CA-O 3.3Å; M562-W576 HydrophobicContact CB-CB 4.45Å; M562-W576 HydrophobicContact CE-CD2 3.67Å; M562-W576 HydrophobicContact CE-CE3 3.07Å; M562-W576 HydrophobicContact CE-CG 4.4Å; M562-W576 HydrophobicContact CE-CH2 4.03Å; M562-W576 HydrophobicContact CE-CZ3 3.29Å; M562-W576 PolarHBondContact N-O 3.16Å; M562-W576 PolarHBondContact O-N 2.86Å; W576-G578 VanDerWaalsContact CH2-CA 3.45Å; W576-G578 VanDerWaalsContact CZ3-N 3.28Å; W576-T580 HydrophobicContact CH2-CG2 3.76Å; W576-T580 HydrophobicContact CZ3-CG2 3.83Å
577	Y	97.2	Very high	93.5	Very high	34 Å²	34	55 Å²	55	13%	0.133	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	138.1	175.8	-49.9	-92.3	0	0	0	110.2	I561 V575 W691 V692 K695 L811	I561-Y577 HydrophobicContact CB-CD1 4.38Å; I561-Y577 HydrophobicContact CG1-CD1 3.66Å; I561-Y577 HydrophobicContact CG1-CE1 3.99Å; I561-Y577 HydrophobicContact CG2-CD1 3.97Å; I561-Y577 HydrophobicContact CG2-CE1 3.8Å; V575-Y577 HydrophobicContact CB-CE2 4.09Å; V575-Y577 HydrophobicContact CG1-CE1 3.95Å; V575-Y577 HydrophobicContact CG1-CE2 3.75Å; V575-Y577 VanDerWaalsContact CG1-CZ 3.42Å; V575-Y577 WeakPolarHBondContact CG1-OH 3.3Å; Y577-W691 HydrophobicContact CE1-CB 4.41Å; Y577-W691 PolarHBondContact OH-O 3.02Å; Y577-V692 HydrophobicContact CD1-CG2 4.49Å; Y577-V692 HydrophobicContact CE1-CG2 4.34Å; Y577-K695 HydrophobicContact CD2-CG 4.41Å; Y577-K695 HydrophobicContact CE1-CB 4.42Å; Y577-K695 HydrophobicContact CE2-CB 4.4Å; Y577-K695 HydrophobicContact CE2-CD 4.38Å; Y577-K695 HydrophobicContact CE2-CG 4.23Å; Y577-L811 HydrophobicContact CD1-CD1 4.04Å; Y577-L811 HydrophobicContact CD1-CD2 4.46Å; Y577-L811 HydrophobicContact CG-CD1 4.26Å
578	G	96.5	Very high	93.6	Very high	7 Å²	7	48.8 Å²	48.8	7%	0.072	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.9	177.1	172.3	0	0	0	0	0	115.5	S560 W576	S560-G578 PolarHBondContact N-O 2.71Å; S560-G578 PolarHBondContact O-N 2.97Å; S560-G578 VanDerWaalsContact O-N 3.09Å; W576-G578 VanDerWaalsContact CH2-CA 3.45Å; W576-G578 VanDerWaalsContact CZ3-N 3.28Å
579	R	97.4	Very high	93.9	Very high	76 Å²	76	46 Å²	46	29%	0.287	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	135.3	175.9	-78.8	178.3	165.9	172.6	2.5	111.3	R465 K466 D507 T509 A558 V559 M812	R465-R579 HydrophobicContact CG-CB 4.02Å; K466-R579 PolarHBondContact N-O 3.35Å; K466-R579 VanDerWaalsContact N-O 3.08Å; D507-R579 IonicContact OD1-NE 2.74Å; D507-R579 IonicContact OD1-NH2 3.38Å; D507-R579 WeakPolarHBondContact OD2-CD 3.35Å; D507-R579 IonicContact OD2-CZ 3.64Å; D507-R579 IonicContact OD2-NE 3.95Å; D507-R579 PolarHBondContact OD2-NE 2.82Å; D507-R579 IonicContact OD2-NH2 3.67Å; T509-R579 PolarHBondContact OG1-NH2 3.03Å; A558-R579 WeakPolarHBondContact O-CA 3.3Å; V559-R579 HydrophobicContact CG2-CG 4.33Å; R579-M812 HydrophobicContact CG-SD 3.77Å
580	T	97.9	Very high	94.1	Very high	0 Å²	0	47 Å²	47	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	165.3	-176.5	59.5	0	0	0	0	111.3	K466 L468 A558 S560 W576	K466-T580 HydrophobicContact CB-CG2 4.28Å; K466-T580 CarbonylContact O-C 2.98Å; K466-T580 WeakPolarHBondContact O-CA 3.47Å; K466-T580 WeakPolarHBondContact O-CB 3.38Å; L468-T580 HydrophobicContact CD1-CG2 3.74Å; L468-T580 HydrophobicContact CG-CG2 4.1Å; A558-T580 PolarHBondContact N-O 3.42Å; A558-T580 VanDerWaalsContact N-O 3.1Å; A558-T580 PolarHBondContact O-N 3.46Å; A558-T580 PolarHBondContact O-OG1 2.89Å; S560-T580 VanDerWaalsContact OG-CG2 3.32Å; S560-T580 WeakPolarHBondContact OG-CG2 3.28Å; S560-T580 PolarHBondContact OG-OG1 3.22Å; W576-T580 HydrophobicContact CH2-CG2 3.76Å; W576-T580 HydrophobicContact CZ3-CG2 3.83Å
581	I	97.9	Very high	94	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	124.8	165.1	-60	164.2	0	0	0	106.4	V457 E462 R465 K466 L468 R469 Y557	V457-I581 HydrophobicContact CG1-CD1 3.8Å; V457-I581 HydrophobicContact CG1-CG1 4.47Å; V457-I581 HydrophobicContact CG2-CG2 4.35Å; E462-I581 HydrophobicContact CB-CD1 4.3Å; E462-I581 HydrophobicContact CG-CD1 3.92Å; R465-I581 HydrophobicContact CB-CD1 4.01Å; R465-I581 HydrophobicContact CB-CG1 3.84Å; R465-I581 HydrophobicContact CG-CG1 4.42Å; K466-I581 PolarHBondContact O-N 3.21Å; L468-I581 PolarHBondContact N-O 2.65Å; R469-I581 HydrophobicContact CG-CG2 3.99Å; Y557-I581 HydrophobicContact CD1-CG1 3.92Å; Y557-I581 HydrophobicContact CE1-CD1 4.28Å; Y557-I581 HydrophobicContact CE1-CG1 3.94Å
582	I	97.1	Very high	94	Very high	1 Å²	1	45 Å²	45	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	163.1	-178.3	63.3	164.7	0	0	0	110.3	L468 V474 T488 H504 L550 D555 R556 A558	L468-I582 HydrophobicContact CB-CG2 4.17Å; L468-I582 HydrophobicContact CD1-CG2 4.03Å; L468-I582 HydrophobicContact CG-CG2 4.45Å; V474-I582 HydrophobicContact CG1-CB 4.46Å; V474-I582 HydrophobicContact CG1-CD1 4.04Å; V474-I582 HydrophobicContact CG2-CG2 4.49Å; T488-I582 HydrophobicContact CG2-CD1 4.45Å; T488-I582 WeakPolarHBondContact OG1-CD1 3.32Å; H504-I582 HydrophobicContact CB-CD1 4.03Å; H504-I582 HydrophobicContact CB-CG2 4.34Å; L550-I582 HydrophobicContact CD1-CD1 3.92Å; L550-I582 HydrophobicContact CD2-CD1 3.9Å; L550-I582 HydrophobicContact CD2-CG1 4.45Å; L550-I582 HydrophobicContact CG-CD1 4.36Å; D555-I582 WeakPolarHBondContact CA-O 3.47Å; R556-I582 PolarHBondContact N-O 3.06Å; R556-I582 PolarHBondContact O-N 2.8Å; A558-I582 HydrophobicContact CB-CD1 3.92Å; A558-I582 HydrophobicContact CB-CG1 4Å; A558-I582 HydrophobicContact CB-CG2 4.32Å
583	R	96	Very high	93.9	Very high	120 Å²	120	42.2 Å²	42.2	45%	0.453	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	107.9	168.7	-179.5	-177	-178.6	106.6	-1.7	106.9	R469 G553 D555 A585	R469-R583 HydrophobicContact CB-CB 4.35Å; R469-R583 HydrophobicContact CG-CB 4.09Å; G553-R583 PolarHBondContact O-NH1 2.92Å; G553-R583 PolarHBondContact O-NH2 3.04Å; D555-R583 IonicContact OD1-CZ 2.67Å; D555-R583 IonicContact OD1-NH1 3.5Å; D555-R583 PolarHBondContact OD1-NH1 2.97Å; R583-A585 PolarHBondContact O-N 2.71Å
584	S	94.8	Very high	93.9	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.007	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	122.7	178.6	-173.2	0	0	0	0	108.9	V474 G552 G553 Y586	V474-S584 CarbonylContact O-C 3.49Å; G552-S584 CarbonylContact C-O 3.36Å; G553-S584 PolarHBondContact N-O 2.83Å; S584-Y586 PolarHBondContact OG-O 3.49Å; S584-Y586 VanDerWaalsContact OG-O 3.11Å
585	A	91.7	Very high	93.8	Very high	36 Å²	36	35.5 Å²	35.5	30%	0.298	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-32.7	-178.9	0	0	0	0	0	111.8	L473 V474 R583	L473-A585 HydrophobicContact CD1-CB 3.59Å; V474-A585 WeakPolarHBondContact O-CB 3.44Å; V474-A585 PolarHBondContact O-N 2.97Å; R583-A585 PolarHBondContact O-N 2.71Å
586	Y	89.9	Confident	93.5	Very high	8 Å²	8	33.8 Å²	33.8	3%	0.031	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	141.9	-178.1	-51.4	-73	0	0	0	110.8	L473 F475 S476 S584 I607 E609 F610 K621 L625	L473-Y586 HydrophobicContact CD1-CD2 4.22Å; L473-Y586 HydrophobicContact CD1-CE2 3.73Å; L473-Y586 HydrophobicContact CD2-CE2 4.48Å; F475-Y586 WeakPolarHBondContact CA-O 3.38Å; F475-Y586 HydrophobicContact CB-CD2 4.22Å; F475-Y586 WeakPolarHBondContact CB-O 3.3Å; S476-Y586 PolarHBondContact N-O 2.78Å; S584-Y586 PolarHBondContact OG-O 3.49Å; S584-Y586 VanDerWaalsContact OG-O 3.11Å; Y586-I607 HydrophobicContact CD1-CG2 4.5Å; Y586-E609 HydrophobicContact CD1-CB 3.9Å; Y586-E609 HydrophobicContact CD1-CG 4.28Å; Y586-E609 HydrophobicContact CE1-CB 4.03Å; Y586-F610 HydrophobicContact CD1-CE2 4.26Å; Y586-F610 HydrophobicContact CE1-CE1 4.36Å; Y586-F610 AromaticContact CE1-CE2 3.84Å; Y586-F610 HydrophobicContact CE1-CE2 3.84Å; Y586-F610 AromaticContact CE1-CZ 3.74Å; Y586-F610 HydrophobicContact CE1-CZ 3.74Å; Y586-F610 AromaticContact CZ-CZ 3.97Å; Y586-K621 WeakPolarHBondContact OH-CB 3.43Å; Y586-L625 HydrophobicContact CD1-CD2 4.48Å; Y586-L625 HydrophobicContact CD2-CD1 3.71Å; Y586-L625 HydrophobicContact CD2-CD2 3.97Å; Y586-L625 HydrophobicContact CD2-CG 4.35Å; Y586-L625 HydrophobicContact CE2-CB 4.24Å; Y586-L625 HydrophobicContact CE2-CD1 3.98Å; Y586-L625 HydrophobicContact CE2-CD2 4.03Å; Y586-L625 HydrophobicContact CE2-CG 4.31Å; Y586-L625 HydrophobicContact CG-CD2 4.2Å
587	K	89.4	Confident	93.1	Very high	71 Å²	71	31.5 Å²	31.5	31%	0.309	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	94.3	166.8	-176.7	177.2	-179.9	175.3	0	109.4	C482 V485 E609	C482-K587 VanDerWaalsContact O-CE 3.28Å; C482-K587 WeakPolarHBondContact O-CE 3.38Å; C482-K587 PolarHBondContact O-NZ 3.23Å; V485-K587 HydrophobicContact CG2-CD 4.48Å; K587-E609 PolarHBondContact N-OE1 2.67Å
588	L	91.2	Very high	92.8	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	149.2	-177.5	-56.9	178.3	0	0	0	110.9	F475 S476 I477 D478 A593 I607 L625 I629	F475-L588 HydrophobicContact CD2-CD1 4.15Å; F475-L588 HydrophobicContact CE2-CD1 4.5Å; S476-L588 WeakPolarHBondContact O-CB 3.42Å; S476-L588 PolarHBondContact O-N 3.49Å; I477-L588 WeakPolarHBondContact CA-O 3.38Å; I477-L588 HydrophobicContact CG1-CB 4.31Å; I477-L588 HydrophobicContact CG1-CD1 4.41Å; D478-L588 PolarHBondContact N-O 3.37Å; L588-A593 HydrophobicContact CD1-CB 4.33Å; L588-I607 HydrophobicContact CD2-CD1 3.8Å; L588-I607 HydrophobicContact CD2-CG1 4.26Å; L588-L625 HydrophobicContact CD1-CD1 4.26Å; L588-L625 HydrophobicContact CD1-CD2 4.36Å; L588-L625 HydrophobicContact CD2-CD2 4.44Å; L588-I629 HydrophobicContact CD1-CD1 3.83Å
589	F	90.6	Very high	92.3	Very high	44 Å²	44	36.4 Å²	36.4	19%	0.193	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	153.4	163.1	56.7	-86.9	0	0	0	110.5	D478 K480 E591 A592 A593 V603	D478-F589 WeakPolarHBondContact O-CA 3.31Å; K480-F589 HydrophobicContact CB-CB 4.31Å; F589-E591 VanDerWaalsContact C-N 3.29Å; F589-E591 HydrophobicContact CD2-CB 3.81Å; F589-E591 WeakPolarHBondContact CD2-OE2 3.26Å; F589-E591 HydrophobicContact CE2-CB 3.87Å; F589-E591 PolarHBondContact O-N 2.87Å; F589-A592 HydrophobicContact CD1-CB 3.92Å; F589-A592 HydrophobicContact CD2-CB 3.79Å; F589-A592 VanDerWaalsContact CD2-N 3.27Å; F589-A592 HydrophobicContact CE1-CB 3.67Å; F589-A592 HydrophobicContact CE2-CB 3.53Å; F589-A592 VanDerWaalsContact CE2-N 3.26Å; F589-A592 HydrophobicContact CG-CB 3.99Å; F589-A592 HydrophobicContact CZ-CB 3.48Å; F589-A592 VanDerWaalsContact CZ-CB 3.48Å; F589-A592 PolarHBondContact O-N 3.32Å; F589-A593 PolarHBondContact O-N 2.84Å; F589-V603 HydrophobicContact CE2-CG2 4.48Å; F589-V603 HydrophobicContact CZ-CG2 3.9Å
590	Y	90.3	Very high	91.8	Very high	35 Å²	35	35.8 Å²	35.8	14%	0.137	18%	0.183	C	C	.	.	H	α-helix	trans	-52.1	-44.8	-174.9	-73.9	-66.4	0	0	0	113.6	I477 D478 P479 A592 A593 Q594 V677 H678 V681	I477-Y590 HydrophobicContact CG2-CD1 3.56Å; I477-Y590 HydrophobicContact CG2-CE1 3.84Å; I477-Y590 HydrophobicContact CG2-CG 4.22Å; D478-Y590 VanDerWaalsContact C-CE2 3.5Å; D478-Y590 WeakPolarHBondContact O-CD2 3.41Å; D478-Y590 PolarHBondContact O-N 3.01Å; D478-Y590 VanDerWaalsContact O-N 3.15Å; P479-Y590 HydrophobicContact CG-CD2 4.43Å; P479-Y590 HydrophobicContact CG-CE2 3.88Å; Y590-A592 VanDerWaalsContact C-N 3.35Å; Y590-A592 PolarHBondContact O-N 3Å; Y590-A593 PolarHBondContact O-N 3.31Å; Y590-Q594 WeakPolarHBondContact O-CB 3.36Å; Y590-Q594 PolarHBondContact O-N 2.79Å; Y590-V677 HydrophobicContact CD1-CG1 4.14Å; Y590-H678 AromaticContact CD1-CD2 3.37Å; Y590-H678 WeakPolarHBondContact CD1-CD2 3.49Å; Y590-H678 AromaticContact CD1-NE2 3.91Å; Y590-H678 AromaticContact CD2-CD2 3.49Å; Y590-H678 VanDerWaalsContact CD2-CD2 3.49Å; Y590-H678 WeakPolarHBondContact CD2-CD2 3.41Å; Y590-H678 AromaticContact CD2-NE2 3.33Å; Y590-H678 VanDerWaalsContact CD2-NE2 3.33Å; Y590-H678 WeakPolarHBondContact CD2-NE2 3.41Å; Y590-H678 AromaticContact CE1-CD2 3.53Å; Y590-H678 AromaticContact CE2-CD2 3.59Å; Y590-H678 AromaticContact CE2-NE2 3.81Å; Y590-H678 AromaticContact CG-CD2 3.38Å; Y590-H678 AromaticContact CG-NE2 3.39Å; Y590-H678 AromaticContact CZ-CD2 3.64Å; Y590-V681 HydrophobicContact CE1-CB 4.46Å; Y590-V681 HydrophobicContact CE1-CG2 4.11Å
591	E	90.4	Very high	91.2	Very high	88 Å²	88	40.8 Å²	40.8	41%	0.411	21%	0.205	S	C	.	.	H	α-helix	trans	-63.9	-39.8	-179.7	-57.8	83.9	168	0	0	111.3	F589 Q594 E595 L675	F589-E591 VanDerWaalsContact C-N 3.29Å; F589-E591 HydrophobicContact CD2-CB 3.81Å; F589-E591 WeakPolarHBondContact CD2-OE2 3.26Å; F589-E591 HydrophobicContact CE2-CB 3.87Å; F589-E591 PolarHBondContact O-N 2.87Å; E591-Q594 PolarHBondContact O-N 3.28Å; E591-E595 VanDerWaalsContact O-CG 3.28Å; E591-E595 WeakPolarHBondContact O-CG 3.27Å; E591-E595 PolarHBondContact O-N 2.8Å; E591-L675 HydrophobicContact CG-CD1 4.25Å
592	A	89.9	Confident	90.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.7	-43.3	175.4	0	0	0	0	0	112.7	F589 Y590 Q594 E595 L596 V603	F589-A592 HydrophobicContact CD1-CB 3.92Å; F589-A592 HydrophobicContact CD2-CB 3.79Å; F589-A592 VanDerWaalsContact CD2-N 3.27Å; F589-A592 HydrophobicContact CE1-CB 3.67Å; F589-A592 HydrophobicContact CE2-CB 3.53Å; F589-A592 VanDerWaalsContact CE2-N 3.26Å; F589-A592 HydrophobicContact CG-CB 3.99Å; F589-A592 HydrophobicContact CZ-CB 3.48Å; F589-A592 VanDerWaalsContact CZ-CB 3.48Å; F589-A592 PolarHBondContact O-N 3.32Å; Y590-A592 VanDerWaalsContact C-N 3.35Å; Y590-A592 PolarHBondContact O-N 3Å; A592-Q594 VanDerWaalsContact C-N 3.27Å; A592-Q594 PolarHBondContact O-N 3.5Å; A592-E595 PolarHBondContact O-N 3.39Å; A592-L596 WeakPolarHBondContact O-CB 3.03Å; A592-L596 VanDerWaalsContact O-CG 3.29Å; A592-L596 WeakPolarHBondContact O-CG 3.49Å; A592-L596 PolarHBondContact O-N 3.23Å; A592-V603 HydrophobicContact CB-CG1 4.36Å; A592-V603 HydrophobicContact CB-CG2 3.61Å
593	A	91.8	Very high	89.5	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.4	-35.6	178.1	0	0	0	0	0	111.8	I477 L588 F589 Y590 L597 V677	I477-A593 HydrophobicContact CD1-CB 3.99Å; I477-A593 HydrophobicContact CG1-CB 4.36Å; I477-A593 HydrophobicContact CG2-CB 3.87Å; L588-A593 HydrophobicContact CD1-CB 4.33Å; F589-A593 PolarHBondContact O-N 2.84Å; Y590-A593 PolarHBondContact O-N 3.31Å; A593-L597 WeakPolarHBondContact O-CB 3.49Å; A593-L597 PolarHBondContact O-N 3.46Å; A593-L597 VanDerWaalsContact O-N 3.08Å; A593-V677 HydrophobicContact CB-CG1 3.84Å; A593-V677 HydrophobicContact CB-CG2 4.23Å
594	Q	92.7	Very high	88.7	Confident	19 Å²	19	39.6 Å²	39.6	9%	0.089	21%	0.214	C	C	.	.	H	α-helix	trans	-66.9	-48.4	174.9	-174.8	66.8	57.1	0	0	111.4	Y590 E591 A592 L596 L597 D598 L675 V677	Y590-Q594 WeakPolarHBondContact O-CB 3.36Å; Y590-Q594 PolarHBondContact O-N 2.79Å; E591-Q594 PolarHBondContact O-N 3.28Å; A592-Q594 VanDerWaalsContact C-N 3.27Å; A592-Q594 PolarHBondContact O-N 3.5Å; Q594-L596 VanDerWaalsContact C-N 3.28Å; Q594-L596 PolarHBondContact O-N 2.98Å; Q594-L597 WeakPolarHBondContact O-CA 3.36Å; Q594-L597 WeakPolarHBondContact O-CB 3.4Å; Q594-L597 PolarHBondContact O-N 2.88Å; Q594-D598 PolarHBondContact NE2-OD1 2.74Å; Q594-D598 PolarHBondContact NE2-OD2 2.78Å; Q594-D598 VanDerWaalsContact O-CG 3.28Å; Q594-D598 PolarHBondContact O-N 3.39Å; Q594-L675 HydrophobicContact CB-CD1 4.46Å; Q594-L675 HydrophobicContact CG-CD2 4.37Å; Q594-V677 HydrophobicContact CB-CG2 4.17Å
595	E	91.3	Very high	87.8	Confident	74 Å²	74	44.7 Å²	44.7	35%	0.346	24%	0.241	S	C	.	.	H	α-helix	trans	-60.5	-38.5	178.1	-68.9	-69.1	161.8	0	0	111.9	E591 A592 D598 G599 N600 V603	E591-E595 VanDerWaalsContact O-CG 3.28Å; E591-E595 WeakPolarHBondContact O-CG 3.27Å; E591-E595 PolarHBondContact O-N 2.8Å; A592-E595 PolarHBondContact O-N 3.39Å; E595-D598 PolarHBondContact O-N 3.43Å; E595-G599 PolarHBondContact O-N 3.44Å; E595-N600 HydrophobicContact CB-CB 4.33Å; E595-N600 PolarHBondContact O-N 3.44Å; E595-N600 WeakPolarHBondContact OE2-CB 3.43Å; E595-N600 VanDerWaalsContact OE2-CG 3.32Å; E595-N600 PolarHBondContact OE2-ND2 3.2Å; E595-V603 HydrophobicContact CB-CB 4.39Å; E595-V603 HydrophobicContact CB-CG1 3.93Å
596	L	90.9	Very high	87	Confident	1 Å²	1	48 Å²	48	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-63.5	-39.3	173.3	-72.4	176.7	0	0	0	112.6	A592 Q594 G599 F601 V603 V604 I607 L622 L625 V626 I629	A592-L596 WeakPolarHBondContact O-CB 3.03Å; A592-L596 VanDerWaalsContact O-CG 3.29Å; A592-L596 WeakPolarHBondContact O-CG 3.49Å; A592-L596 PolarHBondContact O-N 3.23Å; Q594-L596 VanDerWaalsContact C-N 3.28Å; Q594-L596 PolarHBondContact O-N 2.98Å; L596-G599 PolarHBondContact O-N 3.15Å; L596-F601 HydrophobicContact CD2-CD1 4.04Å; L596-V603 HydrophobicContact CD2-CG1 4.17Å; L596-V603 HydrophobicContact CG-CG1 4.1Å; L596-V604 HydrophobicContact CD2-CG2 3.97Å; L596-I607 HydrophobicContact CD1-CD1 4.09Å; L596-L622 HydrophobicContact CD2-CD1 3.86Å; L596-L625 HydrophobicContact CD1-CD2 4.13Å; L596-V626 HydrophobicContact CD2-CG2 4.41Å; L596-I629 HydrophobicContact CB-CD1 4.35Å; L596-I629 HydrophobicContact CD1-CD1 4.01Å
597	L	90.7	Very high	86.5	Confident	42 Å²	42	47.9 Å²	47.9	22%	0.22	25%	0.254	C	S	.	.	H	α-helix	trans	-66.6	-38	176	-179.7	65.4	0	0	0	111.6	A593 Q594 G599 I629 T633 V677	A593-L597 WeakPolarHBondContact O-CB 3.49Å; A593-L597 PolarHBondContact O-N 3.46Å; A593-L597 VanDerWaalsContact O-N 3.08Å; Q594-L597 WeakPolarHBondContact O-CA 3.36Å; Q594-L597 WeakPolarHBondContact O-CB 3.4Å; Q594-L597 PolarHBondContact O-N 2.88Å; L597-G599 PolarHBondContact O-N 3.01Å; L597-I629 HydrophobicContact CB-CG2 4.26Å; L597-I629 HydrophobicContact CD1-CG2 4.39Å; L597-T633 HydrophobicContact CD2-CG2 3.99Å; L597-V677 HydrophobicContact CD2-CG2 4.18Å
598	D	89.7	Confident	85.9	Confident	102 Å²	102	48.5 Å²	48.5	55%	0.545	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-4	179.5	-63.7	-18.7	0	0	0	112.9	Q594 E595	Q594-D598 PolarHBondContact NE2-OD1 2.74Å; Q594-D598 PolarHBondContact NE2-OD2 2.78Å; Q594-D598 VanDerWaalsContact O-CG 3.28Å; Q594-D598 PolarHBondContact O-N 3.39Å; E595-D598 PolarHBondContact O-N 3.43Å
599	G	87.4	Confident	85.4	Confident	42 Å²	42	51.1 Å²	51.1	43%	0.433	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	15.1	179.2	0	0	0	0	0	114.3	E595 L596 L597 F601	E595-G599 PolarHBondContact O-N 3.44Å; L596-G599 PolarHBondContact O-N 3.15Å; L597-G599 PolarHBondContact O-N 3.01Å; G599-F601 WeakPolarHBondContact O-CD2 3.48Å; G599-F601 WeakPolarHBondContact O-CE2 3.41Å
600	N	86.5	Confident	84.9	Confident	63 Å²	63	49.3 Å²	49.3	34%	0.337	27%	0.269	S	S	.	.			trans	-92.7	101.3	174.3	-175.9	2.6	0	0	0	111.2	E595 S602	E595-N600 HydrophobicContact CB-CB 4.33Å; E595-N600 PolarHBondContact O-N 3.44Å; E595-N600 WeakPolarHBondContact OE2-CB 3.43Å; E595-N600 VanDerWaalsContact OE2-CG 3.32Å; E595-N600 PolarHBondContact OE2-ND2 3.2Å; N600-S602 VanDerWaalsContact C-N 3.32Å; N600-S602 PolarHBondContact ND2-OG 3.39Å; N600-S602 PolarHBondContact O-N 2.73Å; N600-S602 WeakPolarHBondContact OD1-CB 3.43Å; N600-S602 PolarHBondContact OD1-N 2.91Å; N600-S602 VanDerWaalsContact OD1-N 3.13Å; N600-S602 PolarHBondContact OD1-OG 2.97Å
601	F	84.3	Confident	84.3	Confident	105 Å²	105	54.1 Å²	54.1	46%	0.461	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-86.8	7.2	-177.6	-53	-64.8	0	0	0	114.6	L596 G599 V603 V604 L622 V626	L596-F601 HydrophobicContact CD2-CD1 4.04Å; G599-F601 WeakPolarHBondContact O-CD2 3.48Å; G599-F601 WeakPolarHBondContact O-CE2 3.41Å; F601-V603 PolarHBondContact O-N 3.08Å; F601-V604 HydrophobicContact CB-CG2 4.1Å; F601-V604 WeakPolarHBondContact O-CB 3.35Å; F601-V604 VanDerWaalsContact O-CG2 3.23Å; F601-V604 WeakPolarHBondContact O-CG2 3.35Å; F601-V604 PolarHBondContact O-N 2.97Å; F601-L622 HydrophobicContact CD1-CD1 4.39Å; F601-L622 HydrophobicContact CD1-CD2 3.95Å; F601-L622 HydrophobicContact CD1-CG 4.41Å; F601-L622 HydrophobicContact CG-CD2 4.4Å; F601-V626 HydrophobicContact CE1-CG2 3.83Å
602	S	79.3	Confident	83.5	Confident	78 Å²	78	57.7 Å²	57.7	55%	0.545	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-64.1	-28.8	176.8	58.2	0	0	0	0	113.1	N600 V604	N600-S602 VanDerWaalsContact C-N 3.32Å; N600-S602 PolarHBondContact ND2-OG 3.39Å; N600-S602 PolarHBondContact O-N 2.73Å; N600-S602 WeakPolarHBondContact OD1-CB 3.43Å; N600-S602 PolarHBondContact OD1-N 2.91Å; N600-S602 VanDerWaalsContact OD1-N 3.13Å; N600-S602 PolarHBondContact OD1-OG 2.97Å; S602-V604 PolarHBondContact O-N 2.91Å
603	V	80.6	Confident	83	Confident	11 Å²	11	60.1 Å²	60.1	7%	0.067	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-72.3	-10.1	178.2	73.5	0	0	0	0	113.7	F589 A592 E595 L596 F601 D605 D606	F589-V603 HydrophobicContact CE2-CG2 4.48Å; F589-V603 HydrophobicContact CZ-CG2 3.9Å; A592-V603 HydrophobicContact CB-CG1 4.36Å; A592-V603 HydrophobicContact CB-CG2 3.61Å; E595-V603 HydrophobicContact CB-CB 4.39Å; E595-V603 HydrophobicContact CB-CG1 3.93Å; L596-V603 HydrophobicContact CD2-CG1 4.17Å; L596-V603 HydrophobicContact CG-CG1 4.1Å; F601-V603 PolarHBondContact O-N 3.08Å; V603-D605 PolarHBondContact O-N 3.49Å; V603-D606 HydrophobicContact CG2-CB 4.25Å; V603-D606 WeakPolarHBondContact O-CB 3.38Å; V603-D606 PolarHBondContact O-N 2.88Å
604	V	78.4	Confident	82.7	Confident	8 Å²	8	64.3 Å²	64.3	5%	0.048	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-61	-31.3	179.5	176.2	0	0	0	0	111.3	L596 F601 S602 D606 I607 F610 L622	L596-V604 HydrophobicContact CD2-CG2 3.97Å; F601-V604 HydrophobicContact CB-CG2 4.1Å; F601-V604 WeakPolarHBondContact O-CB 3.35Å; F601-V604 VanDerWaalsContact O-CG2 3.23Å; F601-V604 WeakPolarHBondContact O-CG2 3.35Å; F601-V604 PolarHBondContact O-N 2.97Å; S602-V604 PolarHBondContact O-N 2.91Å; V604-D606 PolarHBondContact O-N 3.09Å; V604-I607 PolarHBondContact O-N 2.96Å; V604-F610 HydrophobicContact CG1-CB 3.97Å; V604-F610 HydrophobicContact CG1-CD2 4.01Å; V604-F610 HydrophobicContact CG1-CG 3.94Å; V604-L622 HydrophobicContact CG2-CD1 3.7Å; V604-L622 HydrophobicContact CG2-CD2 3.97Å
605	D	75.9	Confident	82.1	Confident	107 Å²	107	70.6 Å²	70.6	57%	0.572	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-67.8	-21.9	176.5	-69.1	-24.9	0	0	0	112.8	V603 K611	V603-D605 PolarHBondContact O-N 3.49Å; D605-K611 WeakPolarHBondContact O-CE 3.31Å
606	D	75.7	Confident	81.8	Confident	106 Å²	106	75.4 Å²	75.4	57%	0.567	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-85.1	-12.3	177.3	-70	-30.5	0	0	0	113	V603 V604 P608	V603-D606 HydrophobicContact CG2-CB 4.25Å; V603-D606 WeakPolarHBondContact O-CB 3.38Å; V603-D606 PolarHBondContact O-N 2.88Å; V604-D606 PolarHBondContact O-N 3.09Å; D606-P608 WeakPolarHBondContact O-CD 3.37Å
607	I	79	Confident	81.5	Confident	5 Å²	5	77.8 Å²	77.8	3%	0.026	41%	0.414	C	S	.	.			trans	-90.1	110.3	179.5	-59.8	170.7	0	0	0	108.8	Y586 L588 L596 V604 E609 F610	Y586-I607 HydrophobicContact CD1-CG2 4.5Å; L588-I607 HydrophobicContact CD2-CD1 3.8Å; L588-I607 HydrophobicContact CD2-CG1 4.26Å; L596-I607 HydrophobicContact CD1-CD1 4.09Å; V604-I607 PolarHBondContact O-N 2.96Å; I607-E609 VanDerWaalsContact CG2-OE2 3.23Å; I607-E609 WeakPolarHBondContact CG2-OE2 3.35Å; I607-E609 PolarHBondContact O-N 3.1Å; I607-E609 VanDerWaalsContact O-N 3.14Å; I607-F610 HydrophobicContact CB-CD2 3.77Å; I607-F610 HydrophobicContact CB-CE2 4.36Å; I607-F610 HydrophobicContact CD1-CD2 4.25Å; I607-F610 HydrophobicContact CD1-CE2 4.11Å; I607-F610 HydrophobicContact CG2-CD2 3.5Å; I607-F610 HydrophobicContact CG2-CE2 3.86Å; I607-F610 PolarHBondContact O-N 2.83Å
608	P	77.8	Confident	81.2	Confident	85 Å²	85	79.7 Å²	79.7	55%	0.552	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-55.9	-35.6	-172.9	-25.9	34.7	0	0	0	114.1	D606 F610 K611	D606-P608 WeakPolarHBondContact O-CD 3.37Å; P608-F610 PolarHBondContact O-N 3.09Å; P608-F610 VanDerWaalsContact O-N 3.15Å; P608-K611 PolarHBondContact O-N 2.95Å
609	E	81.1	Confident	81	Confident	58 Å²	58	79.3 Å²	79.3	27%	0.271	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-68.5	-11.9	-174.1	-60	92	155.9	0	0	113.8	Y586 K587 I607 L613	Y586-E609 HydrophobicContact CD1-CB 3.9Å; Y586-E609 HydrophobicContact CD1-CG 4.28Å; Y586-E609 HydrophobicContact CE1-CB 4.03Å; K587-E609 PolarHBondContact N-OE1 2.67Å; I607-E609 VanDerWaalsContact CG2-OE2 3.23Å; I607-E609 WeakPolarHBondContact CG2-OE2 3.35Å; I607-E609 PolarHBondContact O-N 3.1Å; I607-E609 VanDerWaalsContact O-N 3.14Å; E609-L613 WeakPolarHBondContact O-CD1 3.3Å
610	F	79.5	Confident	81	Confident	6 Å²	6	80 Å²	80	3%	0.026	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-98.2	-12.2	175.5	-70.1	-71.8	0	0	0	114.5	Y586 V604 I607 P608 D612 L613 R618 K621 L622 L625	Y586-F610 HydrophobicContact CD1-CE2 4.26Å; Y586-F610 HydrophobicContact CE1-CE1 4.36Å; Y586-F610 AromaticContact CE1-CE2 3.84Å; Y586-F610 HydrophobicContact CE1-CE2 3.84Å; Y586-F610 AromaticContact CE1-CZ 3.74Å; Y586-F610 HydrophobicContact CE1-CZ 3.74Å; Y586-F610 AromaticContact CZ-CZ 3.97Å; V604-F610 HydrophobicContact CG1-CB 3.97Å; V604-F610 HydrophobicContact CG1-CD2 4.01Å; V604-F610 HydrophobicContact CG1-CG 3.94Å; I607-F610 HydrophobicContact CB-CD2 3.77Å; I607-F610 HydrophobicContact CB-CE2 4.36Å; I607-F610 HydrophobicContact CD1-CD2 4.25Å; I607-F610 HydrophobicContact CD1-CE2 4.11Å; I607-F610 HydrophobicContact CG2-CD2 3.5Å; I607-F610 HydrophobicContact CG2-CE2 3.86Å; I607-F610 PolarHBondContact O-N 2.83Å; P608-F610 PolarHBondContact O-N 3.09Å; P608-F610 VanDerWaalsContact O-N 3.15Å; F610-D612 PolarHBondContact O-N 2.8Å; F610-L613 HydrophobicContact CD1-CD1 4.13Å; F610-R618 HydrophobicContact CB-CG 4.41Å; F610-R618 HydrophobicContact CD1-CG 3.88Å; F610-K621 HydrophobicContact CE1-CB 3.82Å; F610-L622 HydrophobicContact CE1-CB 4.18Å; F610-L622 HydrophobicContact CZ-CB 4.36Å; F610-L622 HydrophobicContact CZ-CD1 4.26Å; F610-L625 HydrophobicContact CE2-CD2 4.09Å; F610-L625 HydrophobicContact CZ-CD2 4.08Å
611	K	76.6	Confident	81.1	Confident	137 Å²	137	80.9 Å²	80.9	60%	0.596	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-34	-171.1	-70.8	-175.1	176.3	179.3	0	114.5	D605 P608	D605-K611 WeakPolarHBondContact O-CE 3.31Å; P608-K611 PolarHBondContact O-N 2.95Å
612	D	74.7	Confident	81.3	Confident	162 Å²	162	76.5 Å²	76.5	87%	0.866	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	14.8	-173.4	-62.2	-42.6	0	0	0	113.7	F610	F610-D612 PolarHBondContact O-N 2.8Å
613	L	79.1	Confident	81.9	Confident	51 Å²	51	78.2 Å²	78.2	27%	0.267	40%	0.396	S	S	.	.	S	Bend	trans	-97.2	145.2	-178.2	-65.2	176.8	0	0	0	112.1	E609 F610 R618 K621	E609-L613 WeakPolarHBondContact O-CD1 3.3Å; F610-L613 HydrophobicContact CD1-CD1 4.13Å; L613-R618 HydrophobicContact CB-CB 4.15Å; L613-K621 HydrophobicContact CD1-CD 3.73Å
614	D	84.9	Confident	82.5	Confident	89 Å²	89	82.4 Å²	82.4	48%	0.476	42%	0.415	S	S	.	.			trans	-63.5	152.6	168.1	69	-87.3	0	0	0	110.8	K616 S617 R618	D614-K616 PolarHBondContact O-N 2.79Å; D614-K616 VanDerWaalsContact O-N 3.12Å; D614-K616 WeakPolarHBondContact OD2-CB 3.25Å; D614-K616 PolarHBondContact OD2-N 2.78Å; D614-S617 VanDerWaalsContact CG-OG 3.25Å; D614-S617 PolarHBondContact O-N 3.3Å; D614-S617 WeakPolarHBondContact OD1-CB 3.28Å; D614-S617 PolarHBondContact OD1-OG 3.33Å; D614-S617 PolarHBondContact OD2-N 2.96Å; D614-S617 PolarHBondContact OD2-OG 2.95Å; D614-R618 VanDerWaalsContact O-CB 3.3Å; D614-R618 WeakPolarHBondContact O-CB 3.42Å; D614-R618 PolarHBondContact O-N 3.29Å
615	E	81.6	Confident	83.2	Confident	150 Å²	150	82 Å²	82	70%	0.701	41%	0.413	S	S	*	.	H	α-helix	trans	-56.6	-34.8	-172.5	-171.9	169.5	-154.6	0	0	113.2	Q619	E615-Q619 WeakPolarHBondContact O-CB 3.47Å; E615-Q619 PolarHBondContact O-N 3.26Å
616	K	84.6	Confident	84	Confident	176 Å²	176	78.8 Å²	78.8	77%	0.765	40%	0.397	S	S	*	.	H	α-helix	trans	-74.2	-45.2	-179.7	-169.6	-178.4	-179.3	-177.6	0	111.7	D614 R618 Q619 A620	D614-K616 PolarHBondContact O-N 2.79Å; D614-K616 VanDerWaalsContact O-N 3.12Å; D614-K616 WeakPolarHBondContact OD2-CB 3.25Å; D614-K616 PolarHBondContact OD2-N 2.78Å; K616-R618 VanDerWaalsContact C-N 3.34Å; K616-Q619 PolarHBondContact O-N 3.18Å; K616-A620 PolarHBondContact O-N 3Å; K616-A620 VanDerWaalsContact O-N 3.13Å
617	S	83.6	Confident	85	Confident	50 Å²	50	78.6 Å²	78.6	35%	0.35	39%	0.388	S	S	.	.	H	α-helix	trans	-66.4	-37.3	175.5	-62.3	0	0	0	0	112	D614 K621	D614-S617 VanDerWaalsContact CG-OG 3.25Å; D614-S617 PolarHBondContact O-N 3.3Å; D614-S617 WeakPolarHBondContact OD1-CB 3.28Å; D614-S617 PolarHBondContact OD1-OG 3.33Å; D614-S617 PolarHBondContact OD2-N 2.96Å; D614-S617 PolarHBondContact OD2-OG 2.95Å; S617-K621 WeakPolarHBondContact O-CB 3.27Å; S617-K621 WeakPolarHBondContact O-CG 3.47Å; S617-K621 PolarHBondContact O-N 2.91Å; S617-K621 VanDerWaalsContact O-N 3.1Å
618	R	84.6	Confident	85.8	Confident	83 Å²	83	78.4 Å²	78.4	31%	0.313	39%	0.387	S	S	.	.	H	α-helix	trans	-59	-49.8	174.4	-176.6	178	67.2	163.8	-1	110.6	F610 L613 D614 K616 K621 L622	F610-R618 HydrophobicContact CB-CG 4.41Å; F610-R618 HydrophobicContact CD1-CG 3.88Å; L613-R618 HydrophobicContact CB-CB 4.15Å; D614-R618 VanDerWaalsContact O-CB 3.3Å; D614-R618 WeakPolarHBondContact O-CB 3.42Å; D614-R618 PolarHBondContact O-N 3.29Å; K616-R618 VanDerWaalsContact C-N 3.34Å; R618-K621 PolarHBondContact O-N 3.28Å; R618-L622 VanDerWaalsContact O-CB 3.29Å; R618-L622 WeakPolarHBondContact O-CB 3.37Å; R618-L622 PolarHBondContact O-N 3Å
619	Q	86.1	Confident	86.6	Confident	93 Å²	93	74.5 Å²	74.5	44%	0.435	36%	0.362	S	S	.	.	H	α-helix	trans	-61	-47.8	179.7	-173.9	61.1	29.9	0	0	112.1	E615 K616 K621 L622 E623	E615-Q619 WeakPolarHBondContact O-CB 3.47Å; E615-Q619 PolarHBondContact O-N 3.26Å; K616-Q619 PolarHBondContact O-N 3.18Å; Q619-K621 PolarHBondContact O-N 2.82Å; Q619-L622 PolarHBondContact O-N 3.45Å; Q619-E623 WeakPolarHBondContact CG-OE1 3.28Å; Q619-E623 PolarHBondContact NE2-OE1 2.8Å; Q619-E623 WeakPolarHBondContact O-CG 3.32Å; Q619-E623 PolarHBondContact O-N 3.45Å
620	A	87.8	Confident	87.3	Confident	56 Å²	56	72.5 Å²	72.5	46%	0.463	36%	0.357	S	S	.	.	H	α-helix	trans	-62.1	-43	-179.1	0	0	0	0	0	112.8	K616 E623 E624	K616-A620 PolarHBondContact O-N 3Å; K616-A620 VanDerWaalsContact O-N 3.13Å; A620-E623 PolarHBondContact O-N 3.5Å; A620-E624 PolarHBondContact O-N 2.83Å; A620-E624 VanDerWaalsContact O-N 3.15Å
621	K	87.9	Confident	88	Confident	83 Å²	83	74.8 Å²	74.8	36%	0.361	37%	0.367	S	S	.	.	H	α-helix	trans	-67.7	-36.3	176.9	-79.8	-169.1	-174.6	-178.7	0	112.9	Y586 F610 L613 S617 R618 Q619 L625	Y586-K621 WeakPolarHBondContact OH-CB 3.43Å; F610-K621 HydrophobicContact CE1-CB 3.82Å; L613-K621 HydrophobicContact CD1-CD 3.73Å; S617-K621 WeakPolarHBondContact O-CB 3.27Å; S617-K621 WeakPolarHBondContact O-CG 3.47Å; S617-K621 PolarHBondContact O-N 2.91Å; S617-K621 VanDerWaalsContact O-N 3.1Å; R618-K621 PolarHBondContact O-N 3.28Å; Q619-K621 PolarHBondContact O-N 2.82Å; K621-L625 WeakPolarHBondContact O-CB 3.26Å; K621-L625 PolarHBondContact O-N 2.7Å
622	L	89.6	Confident	88.9	Confident	12 Å²	12	68.4 Å²	68.4	6%	0.063	34%	0.339	C	S	.	.	H	α-helix	trans	-65.8	-44.8	176.5	-178.8	62.8	0	0	0	110.7	L596 F601 V604 F610 R618 Q619 E624 L625 V626	L596-L622 HydrophobicContact CD2-CD1 3.86Å; F601-L622 HydrophobicContact CD1-CD1 4.39Å; F601-L622 HydrophobicContact CD1-CD2 3.95Å; F601-L622 HydrophobicContact CD1-CG 4.41Å; F601-L622 HydrophobicContact CG-CD2 4.4Å; V604-L622 HydrophobicContact CG2-CD1 3.7Å; V604-L622 HydrophobicContact CG2-CD2 3.97Å; F610-L622 HydrophobicContact CE1-CB 4.18Å; F610-L622 HydrophobicContact CZ-CB 4.36Å; F610-L622 HydrophobicContact CZ-CD1 4.26Å; R618-L622 VanDerWaalsContact O-CB 3.29Å; R618-L622 WeakPolarHBondContact O-CB 3.37Å; R618-L622 PolarHBondContact O-N 3Å; Q619-L622 PolarHBondContact O-N 3.45Å; L622-E624 VanDerWaalsContact C-N 3.33Å; L622-E624 PolarHBondContact O-N 2.6Å; L622-L625 PolarHBondContact O-N 3.31Å; L622-V626 HydrophobicContact CD1-CG2 4.03Å; L622-V626 HydrophobicContact CG-CG2 4.27Å; L622-V626 WeakPolarHBondContact O-CB 3.29Å; L622-V626 WeakPolarHBondContact O-CG2 3.21Å; L622-V626 PolarHBondContact O-N 2.9Å
623	E	90.9	Very high	89.9	Confident	115 Å²	115	60.8 Å²	60.8	54%	0.537	30%	0.298	S	S	.	.	H	α-helix	trans	-59.3	-42.7	176	-74.8	171.4	-168.5	0	0	112.1	Q619 A620 W627	Q619-E623 WeakPolarHBondContact CG-OE1 3.28Å; Q619-E623 PolarHBondContact NE2-OE1 2.8Å; Q619-E623 WeakPolarHBondContact O-CG 3.32Å; Q619-E623 PolarHBondContact O-N 3.45Å; A620-E623 PolarHBondContact O-N 3.5Å; E623-W627 VanDerWaalsContact O-CB 3.26Å; E623-W627 WeakPolarHBondContact O-CB 3.43Å; E623-W627 PolarHBondContact O-N 2.82Å
624	E	93.1	Very high	90.6	Very high	98 Å²	98	60.8 Å²	60.8	46%	0.458	30%	0.299	S	S	.	.	H	α-helix	trans	-63.2	-44.9	175.8	-169	-175	-170.8	0	0	112	L473 A620 L622 W627 A628	L473-E624 HydrophobicContact CD2-CG 3.86Å; A620-E624 PolarHBondContact O-N 2.83Å; A620-E624 VanDerWaalsContact O-N 3.15Å; L622-E624 VanDerWaalsContact C-N 3.33Å; L622-E624 PolarHBondContact O-N 2.6Å; E624-W627 PolarHBondContact O-N 2.93Å; E624-A628 WeakPolarHBondContact O-CB 3.45Å; E624-A628 PolarHBondContact O-N 2.74Å
625	L	92.6	Very high	91	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.6	-45.8	179.6	-179.6	59.8	0	0	0	112	F475 Y586 L588 L596 F610 K621 L622 W627 A628 I629	F475-L625 HydrophobicContact CD1-CD1 4.24Å; F475-L625 HydrophobicContact CD2-CD1 4.38Å; F475-L625 HydrophobicContact CE1-CD1 4.3Å; F475-L625 HydrophobicContact CE2-CD1 4.42Å; F475-L625 HydrophobicContact CG-CD1 4.27Å; F475-L625 HydrophobicContact CZ-CD1 4.36Å; Y586-L625 HydrophobicContact CD1-CD2 4.48Å; Y586-L625 HydrophobicContact CD2-CD1 3.71Å; Y586-L625 HydrophobicContact CD2-CD2 3.97Å; Y586-L625 HydrophobicContact CD2-CG 4.35Å; Y586-L625 HydrophobicContact CE2-CB 4.24Å; Y586-L625 HydrophobicContact CE2-CD1 3.98Å; Y586-L625 HydrophobicContact CE2-CD2 4.03Å; Y586-L625 HydrophobicContact CE2-CG 4.31Å; Y586-L625 HydrophobicContact CG-CD2 4.2Å; L588-L625 HydrophobicContact CD1-CD1 4.26Å; L588-L625 HydrophobicContact CD1-CD2 4.36Å; L588-L625 HydrophobicContact CD2-CD2 4.44Å; L596-L625 HydrophobicContact CD1-CD2 4.13Å; F610-L625 HydrophobicContact CE2-CD2 4.09Å; F610-L625 HydrophobicContact CZ-CD2 4.08Å; K621-L625 WeakPolarHBondContact O-CB 3.26Å; K621-L625 PolarHBondContact O-N 2.7Å; L622-L625 PolarHBondContact O-N 3.31Å; L625-W627 VanDerWaalsContact C-N 3.33Å; L625-W627 PolarHBondContact O-N 2.76Å; L625-A628 WeakPolarHBondContact O-CB 3.28Å; L625-A628 PolarHBondContact O-N 2.89Å; L625-I629 HydrophobicContact CD1-CD1 4.06Å; L625-I629 HydrophobicContact CD1-CG1 4.29Å; L625-I629 HydrophobicContact CG-CD1 3.96Å; L625-I629 WeakPolarHBondContact O-CG1 3.33Å; L625-I629 PolarHBondContact O-N 2.89Å
626	V	94.1	Very high	91.6	Very high	39 Å²	39	49.7 Å²	49.7	24%	0.236	24%	0.244	C	C	.	.	H	α-helix	trans	-63.5	-42.3	178.4	172.1	0	0	0	0	110.3	L596 F601 L622 A628 I629 G630	L596-V626 HydrophobicContact CD2-CG2 4.41Å; F601-V626 HydrophobicContact CE1-CG2 3.83Å; L622-V626 HydrophobicContact CD1-CG2 4.03Å; L622-V626 HydrophobicContact CG-CG2 4.27Å; L622-V626 WeakPolarHBondContact O-CB 3.29Å; L622-V626 WeakPolarHBondContact O-CG2 3.21Å; L622-V626 PolarHBondContact O-N 2.9Å; V626-A628 VanDerWaalsContact C-N 3.33Å; V626-A628 PolarHBondContact O-N 3.17Å; V626-I629 PolarHBondContact O-N 3.4Å; V626-G630 PolarHBondContact O-N 2.86Å
627	W	95.3	Very high	91.9	Very high	102 Å²	102	44.5 Å²	44.5	39%	0.386	22%	0.22	S	C	.	.	H	α-helix	trans	-59.6	-44	173.2	176.5	86.8	0	0	0	111.8	I491 E623 E624 L625 G630 K631	I491-W627 HydrophobicContact CG2-CZ3 4.1Å; E623-W627 VanDerWaalsContact O-CB 3.26Å; E623-W627 WeakPolarHBondContact O-CB 3.43Å; E623-W627 PolarHBondContact O-N 2.82Å; E624-W627 PolarHBondContact O-N 2.93Å; L625-W627 VanDerWaalsContact C-N 3.33Å; L625-W627 PolarHBondContact O-N 2.76Å; W627-G630 PolarHBondContact O-N 2.86Å; W627-K631 HydrophobicContact CD2-CG 4.11Å; W627-K631 HydrophobicContact CH2-CG 4.39Å; W627-K631 HydrophobicContact CZ2-CD 4.44Å; W627-K631 HydrophobicContact CZ2-CG 3.82Å; W627-K631 WeakPolarHBondContact O-CB 3.49Å; W627-K631 WeakPolarHBondContact O-CG 3.34Å; W627-K631 PolarHBondContact O-N 2.73Å
628	A	95.4	Very high	92.3	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-63.5	-47.1	179.2	0	0	0	0	0	112.1	L473 F475 I491 E624 L625 V626 K631 L632	L473-A628 HydrophobicContact CD2-CB 4.38Å; F475-A628 HydrophobicContact CE1-CB 3.93Å; F475-A628 HydrophobicContact CZ-CB 4.19Å; I491-A628 HydrophobicContact CG2-CB 3.6Å; E624-A628 WeakPolarHBondContact O-CB 3.45Å; E624-A628 PolarHBondContact O-N 2.74Å; L625-A628 WeakPolarHBondContact O-CB 3.28Å; L625-A628 PolarHBondContact O-N 2.89Å; V626-A628 VanDerWaalsContact C-N 3.33Å; V626-A628 PolarHBondContact O-N 3.17Å; A628-K631 PolarHBondContact O-N 3.47Å; A628-L632 WeakPolarHBondContact O-CB 3.27Å; A628-L632 VanDerWaalsContact O-CG 3.28Å; A628-L632 WeakPolarHBondContact O-CG 3.5Å; A628-L632 PolarHBondContact O-N 3.31Å
629	I	95.1	Very high	92.5	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.015	21%	0.207	C	C	.	.	H	α-helix	trans	-61.8	-45.6	176.7	-66.1	168.6	0	0	0	110.6	F475 L588 L596 L597 L625 V626 K631 L632 T633	F475-I629 HydrophobicContact CE2-CG1 4.01Å; F475-I629 HydrophobicContact CZ-CG1 4.07Å; L588-I629 HydrophobicContact CD1-CD1 3.83Å; L596-I629 HydrophobicContact CB-CD1 4.35Å; L596-I629 HydrophobicContact CD1-CD1 4.01Å; L597-I629 HydrophobicContact CB-CG2 4.26Å; L597-I629 HydrophobicContact CD1-CG2 4.39Å; L625-I629 HydrophobicContact CD1-CD1 4.06Å; L625-I629 HydrophobicContact CD1-CG1 4.29Å; L625-I629 HydrophobicContact CG-CD1 3.96Å; L625-I629 WeakPolarHBondContact O-CG1 3.33Å; L625-I629 PolarHBondContact O-N 2.89Å; V626-I629 PolarHBondContact O-N 3.4Å; I629-K631 PolarHBondContact O-N 2.92Å; I629-L632 PolarHBondContact O-N 3.26Å; I629-T633 WeakPolarHBondContact O-CB 3.47Å; I629-T633 PolarHBondContact O-N 2.74Å; I629-T633 PolarHBondContact O-OG1 3.21Å
630	G	95.4	Very high	92.7	Very high	17 Å²	17	38.7 Å²	38.7	18%	0.175	19%	0.192	C	C	.	.	H	α-helix	trans	-60.3	-45.8	177.4	0	0	0	0	0	112.2	V626 W627 T633 D634	V626-G630 PolarHBondContact O-N 2.86Å; W627-G630 PolarHBondContact O-N 2.86Å; G630-T633 PolarHBondContact O-N 2.92Å; G630-D634 VanDerWaalsContact O-CG 3.29Å; G630-D634 PolarHBondContact O-N 2.82Å
631	K	94.8	Very high	92.8	Very high	54 Å²	54	36.7 Å²	36.7	24%	0.235	18%	0.176	C	C	.	.	H	α-helix	trans	-67.3	-39.1	178.7	-76.7	-73	148.6	-134.4	0	113.4	I491 W627 A628 I629 T633 D634 I635	I491-K631 HydrophobicContact CG1-CB 4.29Å; W627-K631 HydrophobicContact CD2-CG 4.11Å; W627-K631 HydrophobicContact CH2-CG 4.39Å; W627-K631 HydrophobicContact CZ2-CD 4.44Å; W627-K631 HydrophobicContact CZ2-CG 3.82Å; W627-K631 WeakPolarHBondContact O-CB 3.49Å; W627-K631 WeakPolarHBondContact O-CG 3.34Å; W627-K631 PolarHBondContact O-N 2.73Å; A628-K631 PolarHBondContact O-N 3.47Å; I629-K631 PolarHBondContact O-N 2.92Å; K631-T633 VanDerWaalsContact C-N 3.3Å; K631-D634 IonicContact NZ-OD2 2.77Å; K631-D634 PolarHBondContact NZ-OD2 2.94Å; K631-D634 PolarHBondContact O-N 2.79Å; K631-I635 WeakPolarHBondContact O-CD1 3.26Å; K631-I635 VanDerWaalsContact O-CG1 3.29Å; K631-I635 WeakPolarHBondContact O-CG1 3.43Å; K631-I635 PolarHBondContact O-N 2.98Å
632	L	95.6	Very high	92.8	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.016	18%	0.177	C	C	.	.	H	α-helix	trans	-61.1	-43	173.2	-74.3	166	0	0	0	111.2	F475 L489 I491 L501 A628 I629 I635 A636 T680	F475-L632 HydrophobicContact CE1-CD1 4.24Å; F475-L632 HydrophobicContact CE2-CD1 4.19Å; F475-L632 HydrophobicContact CZ-CD1 3.47Å; F475-L632 VanDerWaalsContact CZ-CD1 3.47Å; L489-L632 HydrophobicContact CB-CD1 4.12Å; L489-L632 HydrophobicContact CD1-CD1 4.24Å; I491-L632 HydrophobicContact CB-CD2 4.2Å; I491-L632 HydrophobicContact CB-CG 4.26Å; I491-L632 HydrophobicContact CG2-CD1 4.49Å; I491-L632 HydrophobicContact CG2-CG 4.1Å; L501-L632 HydrophobicContact CD1-CD2 3.29Å; A628-L632 WeakPolarHBondContact O-CB 3.27Å; A628-L632 VanDerWaalsContact O-CG 3.28Å; A628-L632 WeakPolarHBondContact O-CG 3.5Å; A628-L632 PolarHBondContact O-N 3.31Å; I629-L632 PolarHBondContact O-N 3.26Å; L632-I635 PolarHBondContact O-N 3.15Å; L632-A636 WeakPolarHBondContact O-CB 3.38Å; L632-A636 PolarHBondContact O-N 3.2Å; L632-T680 HydrophobicContact CB-CG2 4.26Å
633	T	94.9	Very high	92.8	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	18%	0.18	C	C	.	.	H	α-helix	trans	-63.2	-44.9	177.6	-52.8	0	0	0	0	111.1	L597 I629 G630 K631 I635 A636 R637 E676	L597-T633 HydrophobicContact CD2-CG2 3.99Å; I629-T633 WeakPolarHBondContact O-CB 3.47Å; I629-T633 PolarHBondContact O-N 2.74Å; I629-T633 PolarHBondContact O-OG1 3.21Å; G630-T633 PolarHBondContact O-N 2.92Å; K631-T633 VanDerWaalsContact C-N 3.3Å; T633-I635 PolarHBondContact O-N 2.91Å; T633-A636 PolarHBondContact O-N 2.99Å; T633-R637 WeakPolarHBondContact O-CG 3.46Å; T633-R637 PolarHBondContact O-N 3.46Å; T633-E676 HydrophobicContact CG2-CG 4.04Å
634	D	93.7	Very high	92.6	Very high	51 Å²	51	34.8 Å²	34.8	27%	0.273	17%	0.166	S	C	.	.	H	α-helix	trans	-57.1	-46.9	175.5	-69.9	-19.2	0	0	0	112	G630 K631 R637 H638	G630-D634 VanDerWaalsContact O-CG 3.29Å; G630-D634 PolarHBondContact O-N 2.82Å; K631-D634 IonicContact NZ-OD2 2.77Å; K631-D634 PolarHBondContact NZ-OD2 2.94Å; K631-D634 PolarHBondContact O-N 2.79Å; D634-R637 IonicContact OD1-NH1 2.73Å; D634-H638 PolarHBondContact O-N 2.79Å
635	I	94.1	Very high	92.2	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-64.9	-46.1	178.7	-66.9	162.4	0	0	0	110.3	I491 L499 L501 L565 Y570 K631 L632 T633 R637 H638 V639	I491-I635 HydrophobicContact CD1-CD1 3.52Å; I491-I635 HydrophobicContact CG1-CD1 4.42Å; L499-I635 HydrophobicContact CD1-CD1 4.33Å; L501-I635 HydrophobicContact CD2-CG2 4.29Å; L565-I635 HydrophobicContact CD1-CD1 3.88Å; L565-I635 HydrophobicContact CD1-CG1 4.31Å; L565-I635 HydrophobicContact CD1-CG2 3.97Å; Y570-I635 HydrophobicContact CD1-CG1 4.09Å; Y570-I635 HydrophobicContact CD2-CG1 4.49Å; Y570-I635 HydrophobicContact CE1-CG1 4.14Å; Y570-I635 HydrophobicContact CG-CG1 4.27Å; K631-I635 WeakPolarHBondContact O-CD1 3.26Å; K631-I635 VanDerWaalsContact O-CG1 3.29Å; K631-I635 WeakPolarHBondContact O-CG1 3.43Å; K631-I635 PolarHBondContact O-N 2.98Å; L632-I635 PolarHBondContact O-N 3.15Å; T633-I635 PolarHBondContact O-N 2.91Å; I635-R637 PolarHBondContact O-N 3.26Å; I635-H638 WeakPolarHBondContact O-CB 3.25Å; I635-H638 PolarHBondContact O-N 3.38Å; I635-H638 VanDerWaalsContact O-N 3.16Å; I635-V639 HydrophobicContact CG2-CG2 4.23Å; I635-V639 WeakPolarHBondContact O-CG2 3.43Å; I635-V639 PolarHBondContact O-N 3.07Å
636	A	93.8	Very high	91.7	Very high	2 Å²	2	33.8 Å²	33.8	2%	0.017	18%	0.177	C	C	.	.	H	α-helix	trans	-62.1	-41.3	-179.6	0	0	0	0	0	112.2	L632 T633 H638 V639 R640 T680 E683	L632-A636 WeakPolarHBondContact O-CB 3.38Å; L632-A636 PolarHBondContact O-N 3.2Å; T633-A636 PolarHBondContact O-N 2.99Å; A636-H638 VanDerWaalsContact C-N 3.3Å; A636-H638 PolarHBondContact O-N 2.94Å; A636-V639 PolarHBondContact O-N 2.98Å; A636-R640 VanDerWaalsContact O-CB 3.29Å; A636-R640 WeakPolarHBondContact O-CB 3.44Å; A636-R640 PolarHBondContact O-N 3.44Å; A636-T680 HydrophobicContact CB-CG2 3.82Å; A636-E683 HydrophobicContact CB-CB 3.99Å; A636-E683 HydrophobicContact CB-CG 4.35Å
637	R	92.3	Very high	91.3	Very high	67 Å²	67	32 Å²	32	25%	0.253	17%	0.166	S	C	.	.	H	α-helix	trans	-56.9	-45	173.1	-75	173.2	-176.9	150.2	-3	111.4	T633 D634 I635 R640 A641 E676	T633-R637 WeakPolarHBondContact O-CG 3.46Å; T633-R637 PolarHBondContact O-N 3.46Å; D634-R637 IonicContact OD1-NH1 2.73Å; I635-R637 PolarHBondContact O-N 3.26Å; R637-R640 PolarHBondContact O-N 3.29Å; R637-A641 WeakPolarHBondContact O-CB 3.42Å; R637-A641 PolarHBondContact O-N 3.03Å; R637-E676 IonicContact CZ-OE1 3.88Å; R637-E676 IonicContact CZ-OE2 2.74Å; R637-E676 IonicContact NE-OE1 2.77Å; R637-E676 PolarHBondContact NE-OE1 3.46Å; R637-E676 IonicContact NH2-OE1 3.17Å; R637-E676 PolarHBondContact NH2-OE1 3.26Å; R637-E676 IonicContact NH2-OE2 3.85Å; R637-E676 PolarHBondContact NH2-OE2 2.85Å
638	H	90.9	Very high	91	Very high	33 Å²	33	27.3 Å²	27.3	15%	0.153	15%	0.149	C	C	.	.	H	α-helix	trans	-66.7	-47.6	-179.3	-166.6	92.1	0	0	0	112.4	S569 Y570 D634 I635 A636 R640 A641 K642 M1004	S569-H638 PolarHBondContact O-NE2 3.05Å; Y570-H638 HydrophobicContact CD2-CB 3.8Å; Y570-H638 AromaticContact CD2-CG 3.84Å; Y570-H638 HydrophobicContact CE2-CB 4.42Å; D634-H638 PolarHBondContact O-N 2.79Å; I635-H638 WeakPolarHBondContact O-CB 3.25Å; I635-H638 PolarHBondContact O-N 3.38Å; I635-H638 VanDerWaalsContact O-N 3.16Å; A636-H638 VanDerWaalsContact C-N 3.3Å; A636-H638 PolarHBondContact O-N 2.94Å; H638-R640 VanDerWaalsContact C-N 3.3Å; H638-R640 PolarHBondContact O-N 3.34Å; H638-A641 PolarHBondContact O-N 3.35Å; H638-K642 PolarHBondContact O-N 3.16Å; H638-K642 VanDerWaalsContact O-N 3.14Å; H638-M1004 WeakPolarHBondContact CE1-CG 3.33Å
639	V	89.9	Confident	90.6	Very high	39 Å²	39	28.1 Å²	28.1	24%	0.236	15%	0.153	C	C	.	.	H	α-helix	trans	-60.5	-42.1	177	173.1	0	0	0	0	110.7	I635 A636 K642 R643	I635-V639 HydrophobicContact CG2-CG2 4.23Å; I635-V639 WeakPolarHBondContact O-CG2 3.43Å; I635-V639 PolarHBondContact O-N 3.07Å; A636-V639 PolarHBondContact O-N 2.98Å; V639-K642 PolarHBondContact O-N 3.04Å; V639-R643 PolarHBondContact O-N 3.23Å; V639-R643 VanDerWaalsContact O-N 3.12Å
640	R	90.3	Very high	90	Very high	33 Å²	33	31 Å²	31	13%	0.125	17%	0.167	C	C	.	.	H	α-helix	trans	-63.4	-47.4	176	-170	178.6	-53.9	134.4	18.5	112.2	A636 R637 H638 K642 R643 D644 E679 E683	A636-R640 VanDerWaalsContact O-CB 3.29Å; A636-R640 WeakPolarHBondContact O-CB 3.44Å; A636-R640 PolarHBondContact O-N 3.44Å; R637-R640 PolarHBondContact O-N 3.29Å; H638-R640 VanDerWaalsContact C-N 3.3Å; H638-R640 PolarHBondContact O-N 3.34Å; R640-K642 PolarHBondContact O-N 3.3Å; R640-R643 CarbonylContact O-C 3.51Å; R640-R643 WeakPolarHBondContact O-CA 3.14Å; R640-R643 WeakPolarHBondContact O-CB 3.5Å; R640-R643 PolarHBondContact O-N 3.02Å; R640-D644 WeakPolarHBondContact CG-OD2 3.47Å; R640-D644 PolarHBondContact O-N 2.93Å; R640-E679 IonicContact CZ-OE2 3.71Å; R640-E679 IonicContact NH1-OE2 3.98Å; R640-E679 PolarHBondContact NH1-OE2 3.46Å; R640-E679 PolarHBondContact NH2-O 2.74Å; R640-E679 IonicContact NH2-OE2 3.09Å; R640-E683 HydrophobicContact CB-CG 3.95Å; R640-E683 HydrophobicContact CG-CG 4.48Å; R640-E683 WeakPolarHBondContact CG-OE1 3.45Å; R640-E683 IonicContact CZ-OE1 2.78Å; R640-E683 IonicContact NE-OE1 3.81Å; R640-E683 PolarHBondContact NE-OE1 2.85Å
641	A	89.6	Confident	89.2	Confident	14 Å²	14	32 Å²	32	12%	0.116	17%	0.168	C	C	.	.	H	α-helix	trans	-57	-40	179.8	0	0	0	0	0	111.9	R637 H638 G645 V1000	R637-A641 WeakPolarHBondContact O-CB 3.42Å; R637-A641 PolarHBondContact O-N 3.03Å; H638-A641 PolarHBondContact O-N 3.35Å; A641-G645 PolarHBondContact O-N 3.14Å; A641-V1000 HydrophobicContact CB-CG1 3.9Å
642	K	87.5	Confident	87.8	Confident	91 Å²	91	34.5 Å²	34.5	40%	0.396	18%	0.18	S	C	.	.	H	α-helix	trans	-60.8	-46.5	172.6	-169.8	172.7	-174.6	170.6	0	111.1	H638 V639 R640 G645 C646 E1021	H638-K642 PolarHBondContact O-N 3.16Å; H638-K642 VanDerWaalsContact O-N 3.14Å; V639-K642 PolarHBondContact O-N 3.04Å; R640-K642 PolarHBondContact O-N 3.3Å; K642-G645 PolarHBondContact O-N 2.7Å; K642-C646 PolarHBondContact O-N 3.14Å; K642-C646 PolarHBondContact O-SG 3.14Å; K642-C646 VanDerWaalsContact O-SG 3.42Å; K642-E1021 IonicContact NZ-OE2 3.92Å; K642-E1021 PolarHBondContact NZ-OE2 3.36Å
643	R	89.6	Confident	86.2	Confident	34 Å²	34	36.2 Å²	36.2	13%	0.128	20%	0.199	C	C	.	.	H	α-helix	trans	-64.5	-41.2	-180	-162	175.2	58.7	72.9	7.6	112.8	V639 R640 G645 C646 G647 A648 E683 L787	V639-R643 PolarHBondContact O-N 3.23Å; V639-R643 VanDerWaalsContact O-N 3.12Å; R640-R643 CarbonylContact O-C 3.51Å; R640-R643 WeakPolarHBondContact O-CA 3.14Å; R640-R643 WeakPolarHBondContact O-CB 3.5Å; R640-R643 PolarHBondContact O-N 3.02Å; R643-G645 VanDerWaalsContact C-N 3.35Å; R643-C646 CarbonylContact O-C 3.17Å; R643-C646 WeakPolarHBondContact O-CA 3.46Å; R643-C646 WeakPolarHBondContact O-CB 3.41Å; R643-C646 PolarHBondContact O-N 3.12Å; R643-C646 VanDerWaalsContact O-N 3.13Å; R643-G647 PolarHBondContact O-N 2.97Å; R643-A648 HydrophobicContact CB-CB 4.47Å; R643-A648 HydrophobicContact CG-CB 3.84Å; R643-A648 WeakPolarHBondContact O-CB 3.43Å; R643-A648 PolarHBondContact O-N 2.98Å; R643-A648 VanDerWaalsContact O-N 3.16Å; R643-E683 IonicContact CZ-OE1 3.31Å; R643-E683 IonicContact CZ-OE2 3.72Å; R643-E683 IonicContact NE-OE1 3.91Å; R643-E683 IonicContact NE-OE2 2.72Å; R643-E683 PolarHBondContact NE-OE2 3.05Å; R643-E683 IonicContact NH2-OE1 3.82Å; R643-E683 PolarHBondContact NH2-OE1 2.94Å; R643-E683 IonicContact NH2-OE2 3.75Å; R643-L787 WeakPolarHBondContact CD-O 3.26Å; R643-L787 VanDerWaalsContact CG-O 3.27Å; R643-L787 WeakPolarHBondContact CG-O 3Å
644	D	86.7	Confident	84.9	Confident	45 Å²	45	38.6 Å²	38.6	24%	0.241	21%	0.213	C	C	.	.	H	α-helix	trans	-68.6	-34.9	175.9	-66.4	-12.6	0	0	0	111.5	R640 C646 G647 K737	R640-D644 WeakPolarHBondContact CG-OD2 3.47Å; R640-D644 PolarHBondContact O-N 2.93Å; D644-C646 PolarHBondContact O-N 2.86Å; D644-G647 PolarHBondContact O-N 2.96Å; D644-K737 PolarHBondContact O-NZ 3.21Å
645	G	84.8	Confident	83.8	Confident	47 Å²	47	42.2 Å²	42.2	49%	0.485	23%	0.229	S	C	.	.	H	α-helix	trans	-56.6	-37.3	168.2	0	0	0	0	0	112.6	A641 K642 R643 G647 K737	A641-G645 PolarHBondContact O-N 3.14Å; K642-G645 PolarHBondContact O-N 2.7Å; R643-G645 VanDerWaalsContact C-N 3.35Å; G645-G647 VanDerWaalsContact C-N 3.3Å; G645-G647 PolarHBondContact O-N 3.44Å; G645-K737 WeakPolarHBondContact O-CE 3.48Å
646	C	82.8	Confident	83.2	Confident	30 Å²	30	43.2 Å²	43.2	20%	0.203	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-2.3	175.8	-64.1	0	0	0	0	114.4	K642 R643 D644 A788	K642-C646 PolarHBondContact O-N 3.14Å; K642-C646 PolarHBondContact O-SG 3.14Å; K642-C646 VanDerWaalsContact O-SG 3.42Å; R643-C646 CarbonylContact O-C 3.17Å; R643-C646 WeakPolarHBondContact O-CA 3.46Å; R643-C646 WeakPolarHBondContact O-CB 3.41Å; R643-C646 PolarHBondContact O-N 3.12Å; R643-C646 VanDerWaalsContact O-N 3.13Å; D644-C646 PolarHBondContact O-N 2.86Å; C646-A788 HydrophobicContact CB-CB 4Å; C646-A788 WeakPolarHBondContact O-CB 3.48Å
647	G	85.6	Confident	82.5	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.5	29.4	175.1	0	0	0	0	0	115	R643 D644 G645 N736	R643-G647 PolarHBondContact O-N 2.97Å; D644-G647 PolarHBondContact O-N 2.96Å; G645-G647 VanDerWaalsContact C-N 3.3Å; G645-G647 PolarHBondContact O-N 3.44Å; G647-N736 CarbonylContact O-C 3.51Å; G647-N736 WeakPolarHBondContact O-CB 3.42Å; G647-N736 PolarHBondContact O-ND2 3.49Å; G647-N736 VanDerWaalsContact O-ND2 3.17Å
648	A	89.2	Confident	82	Confident	4 Å²	4	47.9 Å²	47.9	3%	0.033	25%	0.254	C	S	.	.			trans	-58.4	146.2	166.5	0	0	0	0	0	112.6	R643 A740 A788	R643-A648 HydrophobicContact CB-CB 4.47Å; R643-A648 HydrophobicContact CG-CB 3.84Å; R643-A648 WeakPolarHBondContact O-CB 3.43Å; R643-A648 PolarHBondContact O-N 2.98Å; R643-A648 VanDerWaalsContact O-N 3.16Å; A648-A740 WeakPolarHBondContact O-CB 3.34Å; A648-A788 HydrophobicContact CB-CB 4.32Å
649	L	87.1	Confident	81.5	Confident	18 Å²	18	50.3 Å²	50.3	9%	0.094	27%	0.265	C	S	.	.			trans	-110.2	116.8	-175.1	-71.8	167.5	0	0	0	110.5	L651 N736 L739 A740 M766 Y785 G786	L649-L651 HydrophobicContact CB-CD1 4.04Å; L649-L651 HydrophobicContact CB-CG 3.97Å; L649-L651 HydrophobicContact CD1-CD1 4.41Å; L649-L651 PolarHBondContact O-N 3.01Å; L649-N736 HydrophobicContact CD1-CB 4.18Å; L649-N736 HydrophobicContact CG-CB 4.49Å; L649-L739 HydrophobicContact CD1-CD2 4.15Å; L649-L739 HydrophobicContact CD2-CB 4.15Å; L649-L739 HydrophobicContact CD2-CD2 4.07Å; L649-L739 HydrophobicContact CD2-CG 3.94Å; L649-A740 HydrophobicContact CD2-CB 3.77Å; L649-M766 HydrophobicContact CD1-CE 4.02Å; L649-Y785 HydrophobicContact CD1-CD1 3.89Å; L649-Y785 HydrophobicContact CD1-CE1 3.47Å; L649-Y785 VanDerWaalsContact CD1-CE1 3.47Å; L649-G786 PolarHBondContact N-O 3.03Å
650	E	82.4	Confident	81.1	Confident	63 Å²	63	51 Å²	51	29%	0.294	27%	0.267	S	S	.	.			trans	-88.6	88.4	171.3	-166.6	-177	-167.6	0	0	109.6	R759 K993	E650-R759 WeakPolarHBondContact O-CD 3.37Å; E650-K993 IonicContact OE1-NZ 3.86Å; E650-K993 PolarHBondContact OE1-NZ 3.46Å; E650-K993 IonicContact OE2-NZ 3.36Å
651	L	77.7	Confident	80.6	Confident	38 Å²	38	52.3 Å²	52.3	20%	0.199	28%	0.277	C	S	.	.			trans	-108.7	65.4	-175.8	-63.9	177.2	0	0	0	110.4	L649 L743 A762 T763 M766	L649-L651 HydrophobicContact CB-CD1 4.04Å; L649-L651 HydrophobicContact CB-CG 3.97Å; L649-L651 HydrophobicContact CD1-CD1 4.41Å; L649-L651 PolarHBondContact O-N 3.01Å; L651-L743 HydrophobicContact CD2-CD1 3.95Å; L651-A762 HydrophobicContact CD2-CB 3.87Å; L651-T763 WeakPolarHBondContact CB-OG1 3.42Å; L651-M766 HydrophobicContact CD1-CE 3.92Å; L651-M766 HydrophobicContact CD1-CG 3.79Å; L651-M766 HydrophobicContact CD1-SD 4.4Å
652	E	65.2	Low	80.1	Confident	107 Å²	107	60.1 Å²	60.1	50%	0.5	32%	0.316	S	S	.	.			trans	-82.1	131.1	175.6	-68	-164.2	159	0	0	111.7
653	G	62.2	Low	79.6	Confident	40 Å²	40	64 Å²	64	41%	0.412	33%	0.334	S	S	.	.			trans	-92.4	165.3	167.1	0	0	0	0	0	111.6	E655	G653-E655 PolarHBondContact O-N 3.32Å; G653-E655 VanDerWaalsContact O-N 3.11Å
654	V	66.6	Low	78.8	Confident	50 Å²	50	70 Å²	70	30%	0.303	36%	0.361	S	S	.	.			trans	-76.3	99.1	170.3	-178.1	0	0	0	0	108.6	V656 P671 F891	V654-V656 HydrophobicContact CG1-CG2 4.35Å; V654-P671 HydrophobicContact CG1-CB 4.14Å; V654-F891 HydrophobicContact CB-CZ 4.03Å; V654-F891 HydrophobicContact CG2-CE1 4.32Å; V654-F891 HydrophobicContact CG2-CZ 3.78Å
655	E	72.4	Confident	78.5	Confident	127 Å²	127	72.1 Å²	72.1	59%	0.593	37%	0.372	S	S	*	.			trans	-82.7	137.1	171	-66.6	-171.6	165.5	0	0	110.3	G653 P671 K672	G653-E655 PolarHBondContact O-N 3.32Å; G653-E655 VanDerWaalsContact O-N 3.11Å; E655-P671 CarbonylContact O-C 3.14Å; E655-P671 WeakPolarHBondContact O-CA 3.36Å; E655-K672 HydrophobicContact CB-CB 4.35Å; E655-K672 PolarHBondContact O-N 3.16Å
656	V	80	Confident	78.4	Confident	25 Å²	25	71.7 Å²	71.7	15%	0.152	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129.8	-179.9	177.7	0	0	0	0	109.6	V654 L669 F895	V654-V656 HydrophobicContact CG1-CG2 4.35Å; V656-L669 HydrophobicContact CG1-CB 3.88Å; V656-L669 HydrophobicContact CG1-CD2 4.46Å; V656-F895 WeakPolarHBondContact CG2-O 3.49Å
657	R	79.5	Confident	78.4	Confident	152 Å²	152	75.5 Å²	75.5	57%	0.574	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	132.9	175.7	-169.7	176.7	-177.8	177.3	2.4	109.4	I670	R657-I670 PolarHBondContact N-O 2.95Å; R657-I670 PolarHBondContact O-N 3.35Å
658	V	81.8	Confident	78.2	Confident	15 Å²	15	77.2 Å²	77.2	9%	0.091	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	121.8	171.3	-173.9	0	0	0	0	108.2	A532 L660 I666 L669 F858	A532-V658 HydrophobicContact CB-CG2 3.95Å; V658-L660 HydrophobicContact CG1-CD2 3.8Å; V658-L660 HydrophobicContact CG1-CG 4.4Å; V658-I666 HydrophobicContact CG1-CG1 4.36Å; V658-I666 HydrophobicContact CG1-CG2 3.8Å; V658-L669 HydrophobicContact CB-CD2 4.27Å; V658-L669 HydrophobicContact CG1-CD2 4.24Å; V658-L669 HydrophobicContact CG2-CD2 3.8Å; V658-F858 HydrophobicContact CG1-CB 4.33Å; V658-F858 HydrophobicContact CG1-CD1 3.79Å; V658-F858 HydrophobicContact CG1-CG 4.38Å; V658-F858 HydrophobicContact CG2-CB 3.82Å; V658-F858 HydrophobicContact CG2-CG 4.34Å
659	Q	80.7	Confident	77.9	Confident	85 Å²	85	77.1 Å²	77.1	40%	0.397	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	120.4	172.5	-167.5	180	26.5	0	0	108.9	H667 D668	Q659-H667 HydrophobicContact CG-CB 4.45Å; Q659-H667 PolarHBondContact O-N 3.03Å; Q659-H667 PolarHBondContact OE1-ND1 3.11Å; Q659-D668 PolarHBondContact N-O 2.83Å; Q659-D668 PolarHBondContact O-N 3.36Å
660	L	81.3	Confident	77.7	Confident	53 Å²	53	79.9 Å²	79.9	28%	0.277	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	144.7	176.9	-57.5	177.6	0	0	0	110	D533 V658 N665 I666 F858	D533-L660 HydrophobicContact CB-CD1 3.79Å; V658-L660 HydrophobicContact CG1-CD2 3.8Å; V658-L660 HydrophobicContact CG1-CG 4.4Å; L660-N665 CarbonylContact C-O 3.56Å; L660-N665 VanDerWaalsContact CA-O 3.26Å; L660-N665 WeakPolarHBondContact CA-O 3.2Å; L660-I666 HydrophobicContact CD2-CG1 4.01Å; L660-F858 HydrophobicContact CD2-CD1 4.43Å; L660-F858 HydrophobicContact CD2-CE1 4.11Å
661	D	80.4	Confident	77.5	Confident	61 Å²	61	79 Å²	79	33%	0.326	39%	0.394	S	S	.	.			trans	-79.1	175.4	169.6	74.8	9.7	0	0	0	111.6	K663 K664 N665	D661-K663 PolarHBondContact O-N 3.33Å; D661-K663 VanDerWaalsContact O-N 3.09Å; D661-K663 VanDerWaalsContact OD1-CA 3.26Å; D661-K663 WeakPolarHBondContact OD1-CA 3.49Å; D661-K663 WeakPolarHBondContact OD1-CB 3.34Å; D661-K663 PolarHBondContact OD1-N 2.97Å; D661-K664 WeakPolarHBondContact O-CA 3.4Å; D661-K664 PolarHBondContact O-N 3.3Å; D661-K664 PolarHBondContact OD1-N 3.08Å; D661-N665 PolarHBondContact N-O 3.4Å; D661-N665 PolarHBondContact OD1-N 2.88Å; D661-N665 PolarHBondContact OD1-ND2 3.13Å; D661-N665 WeakPolarHBondContact OD2-CB 3.47Å; D661-N665 PolarHBondContact OD2-ND2 3.42Å; D661-N665 VanDerWaalsContact OD2-ND2 3.11Å
662	D	79.1	Confident	77.4	Confident	177 Å²	177	82.6 Å²	82.6	95%	0.947	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.2	179.1	-63.2	-32.4	0	0	0	113.6
663	K	77.2	Confident	78.1	Confident	174 Å²	174	83.1 Å²	83.1	76%	0.757	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	6.8	177.1	-64.7	180	-177.9	176	0	112.4	D661 N665	D661-K663 PolarHBondContact O-N 3.33Å; D661-K663 VanDerWaalsContact O-N 3.09Å; D661-K663 VanDerWaalsContact OD1-CA 3.26Å; D661-K663 WeakPolarHBondContact OD1-CA 3.49Å; D661-K663 WeakPolarHBondContact OD1-CB 3.34Å; D661-K663 PolarHBondContact OD1-N 2.97Å; K663-N665 VanDerWaalsContact C-N 3.28Å; K663-N665 WeakPolarHBondContact CB-ND2 3.38Å; K663-N665 PolarHBondContact O-N 3.23Å
664	K	73.3	Confident	78.9	Confident	160 Å²	160	84.5 Å²	84.5	70%	0.696	41%	0.412	S	S	*	.	S	Bend	trans	64.3	20.8	-175.6	-55.3	-175.3	175.5	-174.1	0	115.1	D661	D661-K664 WeakPolarHBondContact O-CA 3.4Å; D661-K664 PolarHBondContact O-N 3.3Å; D661-K664 PolarHBondContact OD1-N 3.08Å
665	N	79.9	Confident	80	Confident	89 Å²	89	83.6 Å²	83.6	48%	0.476	41%	0.406	S	S	.	.			trans	-82.3	155.9	168.2	-49.2	-62.2	0	0	0	110.4	L660 D661 K663 H667	L660-N665 CarbonylContact C-O 3.56Å; L660-N665 VanDerWaalsContact CA-O 3.26Å; L660-N665 WeakPolarHBondContact CA-O 3.2Å; D661-N665 PolarHBondContact N-O 3.4Å; D661-N665 PolarHBondContact OD1-N 2.88Å; D661-N665 PolarHBondContact OD1-ND2 3.13Å; D661-N665 WeakPolarHBondContact OD2-CB 3.47Å; D661-N665 PolarHBondContact OD2-ND2 3.42Å; D661-N665 VanDerWaalsContact OD2-ND2 3.11Å; K663-N665 VanDerWaalsContact C-N 3.28Å; K663-N665 WeakPolarHBondContact CB-ND2 3.38Å; K663-N665 PolarHBondContact O-N 3.23Å; N665-H667 PolarHBondContact O-N 3.44Å
666	I	83.1	Confident	80.8	Confident	38 Å²	38	79.8 Å²	79.8	20%	0.195	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	110.7	-178.6	-49.5	173.5	0	0	0	109.7	V658 L660 F858 M861 Y862	V658-I666 HydrophobicContact CG1-CG1 4.36Å; V658-I666 HydrophobicContact CG1-CG2 3.8Å; L660-I666 HydrophobicContact CD2-CG1 4.01Å; I666-F858 HydrophobicContact CD1-CB 4.26Å; I666-F858 HydrophobicContact CD1-CD1 3.6Å; I666-F858 HydrophobicContact CD1-CE1 4.4Å; I666-F858 HydrophobicContact CD1-CG 4.33Å; I666-F858 VanDerWaalsContact CD1-O 3.31Å; I666-F858 WeakPolarHBondContact CD1-O 3.38Å; I666-F858 HydrophobicContact CG1-CD1 3.92Å; I666-F858 HydrophobicContact CG1-CE1 4.41Å; I666-M861 HydrophobicContact CD1-CB 3.59Å; I666-Y862 HydrophobicContact CB-CD2 4.3Å; I666-Y862 HydrophobicContact CG2-CD2 3.6Å; I666-Y862 HydrophobicContact CG2-CE2 4.46Å; I666-Y862 HydrophobicContact CG2-CG 4.28Å
667	H	81.8	Confident	81.4	Confident	110 Å²	110	78.7 Å²	78.7	51%	0.509	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-53.9	176.5	177.8	-97	0	0	0	111.3	Q659 N665	Q659-H667 HydrophobicContact CG-CB 4.45Å; Q659-H667 PolarHBondContact O-N 3.03Å; Q659-H667 PolarHBondContact OE1-ND1 3.11Å; N665-H667 PolarHBondContact O-N 3.44Å
668	D	82.3	Confident	81.9	Confident	35 Å²	35	72.9 Å²	72.9	19%	0.187	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	168.2	179.6	-149.9	7.8	0	0	0	113.7	Q659 I670 Y862	Q659-D668 PolarHBondContact N-O 2.83Å; Q659-D668 PolarHBondContact O-N 3.36Å; D668-I670 HydrophobicContact CB-CG1 4.31Å; D668-Y862 PolarHBondContact OD1-OH 3.3Å
669	L	83	Confident	82.3	Confident	3 Å²	3	73.3 Å²	73.3	2%	0.016	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	106.4	175	-65.6	177	0	0	0	108.8	V656 V658 Q859 Y862 F863 F895	V656-L669 HydrophobicContact CG1-CB 3.88Å; V656-L669 HydrophobicContact CG1-CD2 4.46Å; V658-L669 HydrophobicContact CB-CD2 4.27Å; V658-L669 HydrophobicContact CG1-CD2 4.24Å; V658-L669 HydrophobicContact CG2-CD2 3.8Å; L669-Q859 HydrophobicContact CD1-CB 4.45Å; L669-Q859 HydrophobicContact CD1-CG 4.07Å; L669-Y862 HydrophobicContact CD1-CD1 3.61Å; L669-Y862 HydrophobicContact CD1-CE1 4.2Å; L669-Y862 HydrophobicContact CD1-CG 3.81Å; L669-Y862 HydrophobicContact CG-CD1 4.09Å; L669-Y862 HydrophobicContact CG-CD2 4.29Å; L669-Y862 HydrophobicContact CG-CE1 4.44Å; L669-Y862 HydrophobicContact CG-CG 3.97Å; L669-F863 HydrophobicContact CD1-CE2 4.36Å; L669-F895 HydrophobicContact CB-CD1 3.93Å; L669-F895 HydrophobicContact CB-CE1 4.44Å; L669-F895 HydrophobicContact CD1-CD1 4.15Å
670	I	81.1	Confident	83	Confident	75 Å²	75	69.5 Å²	69.5	39%	0.385	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	127.1	-171.3	-57.4	175	0	0	0	109.6	R657 D668	R657-I670 PolarHBondContact N-O 2.95Å; R657-I670 PolarHBondContact O-N 3.35Å; D668-I670 HydrophobicContact CB-CG1 4.31Å
671	P	78	Confident	83.6	Confident	44 Å²	44	67.3 Å²	67.3	29%	0.286	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	135.6	173.4	27.9	-32.4	0	0	0	110.1	V654 E655 Q673	V654-P671 HydrophobicContact CG1-CB 4.14Å; E655-P671 CarbonylContact O-C 3.14Å; E655-P671 WeakPolarHBondContact O-CA 3.36Å; P671-Q673 PolarHBondContact O-N 3.49Å
672	K	77.6	Confident	84.2	Confident	114 Å²	114	66.6 Å²	66.6	50%	0.496	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-64.4	128.5	176.2	-172.1	-179	178.5	-172	0	109.2	E655	E655-K672 HydrophobicContact CB-CB 4.35Å; E655-K672 PolarHBondContact O-N 3.16Å
673	Q	78.2	Confident	84.9	Confident	119 Å²	119	58.5 Å²	58.5	56%	0.556	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-82.7	130.8	175.2	-66	-173.3	-3.5	0	0	110	P671 H678	P671-Q673 PolarHBondContact O-N 3.49Å; Q673-H678 PolarHBondContact O-CE1 3.2Å
674	P	80.6	Confident	85.9	Confident	68 Å²	68	50.4 Å²	50.4	44%	0.442	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-71.4	130.5	170.5	29.8	-32	0	0	0	108.8
675	L	88.3	Confident	87	Confident	31 Å²	31	43.6 Å²	43.6	16%	0.162	23%	0.228	C	C	.	.			trans	-124.5	146.5	179.3	-56.3	175.8	0	0	0	107.3	E591 Q594 V677 H678	E591-L675 HydrophobicContact CG-CD1 4.25Å; Q594-L675 HydrophobicContact CB-CD1 4.46Å; Q594-L675 HydrophobicContact CG-CD2 4.37Å; L675-V677 PolarHBondContact O-N 3.21Å; L675-H678 WeakPolarHBondContact CB-ND1 3.24Å; L675-H678 PolarHBondContact N-ND1 3.19Å; L675-H678 VanDerWaalsContact O-CB 3.28Å; L675-H678 WeakPolarHBondContact O-CB 3.3Å; L675-H678 PolarHBondContact O-N 2.75Å
676	E	90.3	Very high	87.8	Confident	48 Å²	48	40.4 Å²	40.4	22%	0.224	21%	0.211	C	C	.	.	H	α-helix	trans	-62.4	-33.8	-178.8	177.3	165.2	-140.2	0	0	112.1	T633 R637 H678 E679 T680	T633-E676 HydrophobicContact CG2-CG 4.04Å; R637-E676 IonicContact CZ-OE1 3.88Å; R637-E676 IonicContact CZ-OE2 2.74Å; R637-E676 IonicContact NE-OE1 2.77Å; R637-E676 PolarHBondContact NE-OE1 3.46Å; R637-E676 IonicContact NH2-OE1 3.17Å; R637-E676 PolarHBondContact NH2-OE1 3.26Å; R637-E676 IonicContact NH2-OE2 3.85Å; R637-E676 PolarHBondContact NH2-OE2 2.85Å; E676-H678 VanDerWaalsContact C-N 3.29Å; E676-H678 PolarHBondContact O-N 3.01Å; E676-E679 PolarHBondContact O-N 2.69Å; E676-E679 VanDerWaalsContact O-N 3.13Å; E676-T680 PolarHBondContact O-N 3.49Å; E676-T680 PolarHBondContact O-OG1 2.94Å; E676-T680 VanDerWaalsContact O-OG1 3.05Å
677	V	91.1	Very high	88.4	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-64.6	-32.2	175.9	-178.2	0	0	0	0	112.2	I477 Y590 A593 Q594 L597 L675 E679 T680 V681	I477-V677 HydrophobicContact CD1-CG1 3.71Å; I477-V677 HydrophobicContact CG2-CG1 3.8Å; Y590-V677 HydrophobicContact CD1-CG1 4.14Å; A593-V677 HydrophobicContact CB-CG1 3.84Å; A593-V677 HydrophobicContact CB-CG2 4.23Å; Q594-V677 HydrophobicContact CB-CG2 4.17Å; L597-V677 HydrophobicContact CD2-CG2 4.18Å; L675-V677 PolarHBondContact O-N 3.21Å; V677-E679 VanDerWaalsContact C-N 3.28Å; V677-E679 PolarHBondContact O-N 3.47Å; V677-T680 PolarHBondContact O-N 3.46Å; V677-V681 HydrophobicContact CG1-CG2 4.47Å; V677-V681 WeakPolarHBondContact O-CG2 2.99Å; V677-V681 PolarHBondContact O-N 3.22Å
678	H	90.7	Very high	89.1	Confident	31 Å²	31	34.2 Å²	34.2	14%	0.144	18%	0.182	C	C	.	.	H	α-helix	trans	-58.8	-45.8	172.6	-69.3	130.5	0	0	0	110.5	Y590 Q673 L675 E676 T680 A682	Y590-H678 AromaticContact CD1-CD2 3.37Å; Y590-H678 WeakPolarHBondContact CD1-CD2 3.49Å; Y590-H678 AromaticContact CD1-NE2 3.91Å; Y590-H678 AromaticContact CD2-CD2 3.49Å; Y590-H678 VanDerWaalsContact CD2-CD2 3.49Å; Y590-H678 WeakPolarHBondContact CD2-CD2 3.41Å; Y590-H678 AromaticContact CD2-NE2 3.33Å; Y590-H678 VanDerWaalsContact CD2-NE2 3.33Å; Y590-H678 WeakPolarHBondContact CD2-NE2 3.41Å; Y590-H678 AromaticContact CE1-CD2 3.53Å; Y590-H678 AromaticContact CE2-CD2 3.59Å; Y590-H678 AromaticContact CE2-NE2 3.81Å; Y590-H678 AromaticContact CG-CD2 3.38Å; Y590-H678 AromaticContact CG-NE2 3.39Å; Y590-H678 AromaticContact CZ-CD2 3.64Å; Q673-H678 PolarHBondContact O-CE1 3.2Å; L675-H678 WeakPolarHBondContact CB-ND1 3.24Å; L675-H678 PolarHBondContact N-ND1 3.19Å; L675-H678 VanDerWaalsContact O-CB 3.28Å; L675-H678 WeakPolarHBondContact O-CB 3.3Å; L675-H678 PolarHBondContact O-N 2.75Å; E676-H678 VanDerWaalsContact C-N 3.29Å; E676-H678 PolarHBondContact O-N 3.01Å; H678-T680 VanDerWaalsContact C-N 3.34Å; H678-A682 WeakPolarHBondContact O-CB 3.48Å; H678-A682 PolarHBondContact O-N 2.61Å
679	E	90.8	Very high	89.9	Confident	24 Å²	24	32.7 Å²	32.7	11%	0.112	17%	0.173	C	C	.	.	H	α-helix	trans	-69.2	-35.7	-179.2	-44	175.6	152.5	0	0	110.7	R640 E676 V677 A682 E683 K993	R640-E679 IonicContact CZ-OE2 3.71Å; R640-E679 IonicContact NH1-OE2 3.98Å; R640-E679 PolarHBondContact NH1-OE2 3.46Å; R640-E679 PolarHBondContact NH2-O 2.74Å; R640-E679 IonicContact NH2-OE2 3.09Å; E676-E679 PolarHBondContact O-N 2.69Å; E676-E679 VanDerWaalsContact O-N 3.13Å; V677-E679 VanDerWaalsContact C-N 3.28Å; V677-E679 PolarHBondContact O-N 3.47Å; E679-A682 PolarHBondContact O-N 3.21Å; E679-E683 WeakPolarHBondContact O-CG 3.41Å; E679-E683 PolarHBondContact O-N 3.24Å; E679-K993 IonicContact OE1-NZ 2.99Å; E679-K993 PolarHBondContact OE1-NZ 2.81Å
680	T	94.1	Very high	90.5	Very high	4 Å²	4	33.1 Å²	33.1	3%	0.025	18%	0.175	C	C	.	.	H	α-helix	trans	-59.9	-51.8	176.8	-62.4	0	0	0	0	111.6	L632 A636 E676 V677 H678 A682 E683 C684	L632-T680 HydrophobicContact CB-CG2 4.26Å; A636-T680 HydrophobicContact CB-CG2 3.82Å; E676-T680 PolarHBondContact O-N 3.49Å; E676-T680 PolarHBondContact O-OG1 2.94Å; E676-T680 VanDerWaalsContact O-OG1 3.05Å; V677-T680 PolarHBondContact O-N 3.46Å; H678-T680 VanDerWaalsContact C-N 3.34Å; T680-A682 VanDerWaalsContact C-N 3.31Å; T680-A682 PolarHBondContact O-N 2.89Å; T680-E683 PolarHBondContact O-N 2.94Å; T680-C684 PolarHBondContact O-N 3Å; T680-C684 PolarHBondContact O-SG 3.15Å
681	V	94.5	Very high	91.3	Very high	8 Å²	8	32.3 Å²	32.3	5%	0.048	17%	0.167	C	C	.	.	H	α-helix	trans	-61.4	-42.7	176.7	175.9	0	0	0	0	110.3	I477 L489 Y590 V677 E683 C684 M685	I477-V681 HydrophobicContact CB-CG2 4.08Å; I477-V681 HydrophobicContact CD1-CG2 4.21Å; L489-V681 HydrophobicContact CD1-CG2 4.39Å; Y590-V681 HydrophobicContact CE1-CB 4.46Å; Y590-V681 HydrophobicContact CE1-CG2 4.11Å; V677-V681 HydrophobicContact CG1-CG2 4.47Å; V677-V681 WeakPolarHBondContact O-CG2 2.99Å; V677-V681 PolarHBondContact O-N 3.22Å; V681-E683 PolarHBondContact O-N 3.25Å; V681-C684 PolarHBondContact O-N 3.08Å; V681-M685 HydrophobicContact CG1-CG 4.34Å; V681-M685 WeakPolarHBondContact O-CG 3.48Å; V681-M685 PolarHBondContact O-N 3.05Å
682	A	93.2	Very high	92.3	Very high	45 Å²	45	30.2 Å²	30.2	37%	0.372	15%	0.154	S	C	.	.	H	α-helix	trans	-58	-44.5	178.7	0	0	0	0	0	112.7	H678 E679 T680 M685 I686	H678-A682 WeakPolarHBondContact O-CB 3.48Å; H678-A682 PolarHBondContact O-N 2.61Å; E679-A682 PolarHBondContact O-N 3.21Å; T680-A682 VanDerWaalsContact C-N 3.31Å; T680-A682 PolarHBondContact O-N 2.89Å; A682-M685 PolarHBondContact O-N 3.39Å; A682-I686 VanDerWaalsContact O-CG1 3.25Å; A682-I686 WeakPolarHBondContact O-CG1 3.11Å; A682-I686 PolarHBondContact O-N 3.28Å
683	E	94.9	Very high	93.2	Very high	7 Å²	7	24.8 Å²	24.8	3%	0.033	13%	0.13	C	C	.	.	H	α-helix	trans	-65.2	-42.9	177.5	-67.5	-55.9	148.4	0	0	112.6	A636 R640 R643 E679 T680 V681 M685 I686 L687	A636-E683 HydrophobicContact CB-CB 3.99Å; A636-E683 HydrophobicContact CB-CG 4.35Å; R640-E683 HydrophobicContact CB-CG 3.95Å; R640-E683 HydrophobicContact CG-CG 4.48Å; R640-E683 WeakPolarHBondContact CG-OE1 3.45Å; R640-E683 IonicContact CZ-OE1 2.78Å; R640-E683 IonicContact NE-OE1 3.81Å; R640-E683 PolarHBondContact NE-OE1 2.85Å; R643-E683 IonicContact CZ-OE1 3.31Å; R643-E683 IonicContact CZ-OE2 3.72Å; R643-E683 IonicContact NE-OE1 3.91Å; R643-E683 IonicContact NE-OE2 2.72Å; R643-E683 PolarHBondContact NE-OE2 3.05Å; R643-E683 IonicContact NH2-OE1 3.82Å; R643-E683 PolarHBondContact NH2-OE1 2.94Å; R643-E683 IonicContact NH2-OE2 3.75Å; E679-E683 WeakPolarHBondContact O-CG 3.41Å; E679-E683 PolarHBondContact O-N 3.24Å; T680-E683 PolarHBondContact O-N 2.94Å; V681-E683 PolarHBondContact O-N 3.25Å; E683-M685 PolarHBondContact O-N 3.49Å; E683-I686 PolarHBondContact O-N 2.92Å; E683-L687 WeakPolarHBondContact O-CB 3.02Å; E683-L687 PolarHBondContact O-N 3.46Å
684	C	96.6	Very high	94	Very high	5 Å²	5	20.6 Å²	20.6	3%	0.034	11%	0.11	C	C	.	.	H	α-helix	trans	-58.6	-40.9	175.6	-66.8	0	0	0	0	111.2	L489 V503 T680 V681 A688	L489-C684 HydrophobicContact CD2-CB 3.92Å; V503-C684 HydrophobicContact CG2-CB 4.22Å; T680-C684 PolarHBondContact O-N 3Å; T680-C684 PolarHBondContact O-SG 3.15Å; V681-C684 PolarHBondContact O-N 3.08Å; C684-A688 WeakPolarHBondContact O-CB 3.5Å; C684-A688 PolarHBondContact O-N 2.86Å
685	M	96.6	Very high	94.8	Very high	17 Å²	17	18.8 Å²	18.8	8%	0.084	10%	0.096	C	C	.	.	H	α-helix	trans	-69.6	-41.2	176.4	-64.7	-53.1	118.2	0	0	112.5	D487 L489 V503 I505 V681 A682 E683 L687 A688 N689 T796	D487-M685 HydrophobicContact CB-CE 3.86Å; D487-M685 HydrophobicContact CB-SD 3.83Å; D487-M685 WeakPolarHBondContact OD2-CE 3.4Å; L489-M685 HydrophobicContact CD2-CE 3.72Å; V503-M685 HydrophobicContact CG1-CE 3.77Å; V503-M685 HydrophobicContact CG1-SD 4.26Å; V503-M685 HydrophobicContact CG2-CE 4.3Å; I505-M685 HydrophobicContact CD1-SD 4.18Å; V681-M685 HydrophobicContact CG1-CG 4.34Å; V681-M685 WeakPolarHBondContact O-CG 3.48Å; V681-M685 PolarHBondContact O-N 3.05Å; A682-M685 PolarHBondContact O-N 3.39Å; E683-M685 PolarHBondContact O-N 3.49Å; M685-L687 VanDerWaalsContact C-N 3.32Å; M685-L687 PolarHBondContact O-N 3.1Å; M685-A688 PolarHBondContact O-N 3.38Å; M685-N689 WeakPolarHBondContact O-CB 3.32Å; M685-N689 VanDerWaalsContact O-CG 3.24Å; M685-N689 PolarHBondContact O-N 3.47Å; M685-N689 PolarHBondContact O-ND2 2.8Å; M685-T796 HydrophobicContact CB-CG2 4.11Å; M685-T796 HydrophobicContact CG-CG2 4.36Å; M685-T796 VanDerWaalsContact SD-CB 3.56Å; M685-T796 HydrophobicContact SD-CG2 3.48Å; M685-T796 WeakPolarHBondContact SD-CG2 3.36Å
686	I	96.2	Very high	95.2	Very high	22 Å²	22	17.3 Å²	17.3	11%	0.113	9%	0.088	C	C	.	.	H	α-helix	trans	-60.2	-45.2	175.8	-70.7	161.8	0	0	0	110	A682 E683 N689 H690 L787 L789 Y792	A682-I686 VanDerWaalsContact O-CG1 3.25Å; A682-I686 WeakPolarHBondContact O-CG1 3.11Å; A682-I686 PolarHBondContact O-N 3.28Å; E683-I686 PolarHBondContact O-N 2.92Å; I686-N689 PolarHBondContact O-N 2.86Å; I686-H690 WeakPolarHBondContact O-CB 3.25Å; I686-H690 PolarHBondContact O-N 2.84Å; I686-L787 HydrophobicContact CD1-CD2 3.88Å; I686-L787 HydrophobicContact CG1-CD2 4.35Å; I686-L789 HydrophobicContact CG2-CD1 3.83Å; I686-Y792 HydrophobicContact CG2-CE2 4.38Å
687	L	96.1	Very high	95.4	Very high	17 Å²	17	17.8 Å²	17.8	9%	0.089	9%	0.087	C	C	.	.	H	α-helix	trans	-59.7	-47.9	177.1	-174.1	67.2	0	0	0	111.5	L501 W563 I572 E683 M685 N689 H690 W691	L501-L687 HydrophobicContact CD2-CD2 4.12Å; W563-L687 HydrophobicContact CD2-CD2 4.27Å; W563-L687 HydrophobicContact CE3-CD2 4.49Å; W563-L687 HydrophobicContact CH2-CD2 4.49Å; W563-L687 HydrophobicContact CH2-CG 4.37Å; W563-L687 HydrophobicContact CZ2-CD2 4.24Å; W563-L687 HydrophobicContact CZ2-CG 3.89Å; I572-L687 HydrophobicContact CD1-CD1 4.04Å; E683-L687 WeakPolarHBondContact O-CB 3.02Å; E683-L687 PolarHBondContact O-N 3.46Å; M685-L687 VanDerWaalsContact C-N 3.32Å; M685-L687 PolarHBondContact O-N 3.1Å; L687-N689 PolarHBondContact O-N 3.25Å; L687-H690 PolarHBondContact O-N 3.47Å; L687-W691 PolarHBondContact O-N 3.43Å; L687-W691 VanDerWaalsContact O-N 3.07Å
688	A	97.8	Very high	95.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-57.3	-48.6	175.9	0	0	0	0	0	112.4	V503 I561 W563 C684 M685 H690 V692 T796	V503-A688 HydrophobicContact CB-CB 4.3Å; V503-A688 HydrophobicContact CG1-CB 3.92Å; V503-A688 HydrophobicContact CG2-CB 4.45Å; I561-A688 HydrophobicContact CD1-CB 4.3Å; W563-A688 HydrophobicContact CH2-CB 3.83Å; W563-A688 HydrophobicContact CZ2-CB 4.47Å; C684-A688 WeakPolarHBondContact O-CB 3.5Å; C684-A688 PolarHBondContact O-N 2.86Å; M685-A688 PolarHBondContact O-N 3.38Å; A688-H690 PolarHBondContact O-N 3.32Å; A688-V692 WeakPolarHBondContact O-CB 3.27Å; A688-V692 VanDerWaalsContact O-CG2 3.28Å; A688-V692 WeakPolarHBondContact O-CG2 3.32Å; A688-V692 PolarHBondContact O-N 3.02Å; A688-T796 HydrophobicContact CB-CG2 3.91Å
689	N	98.3	Very high	95.7	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.016	11%	0.106	C	C	.	.	H	α-helix	trans	-61.8	-43.3	180	-78.3	-44.7	0	0	0	112.4	M685 I686 L687 A693 Y792 T793 H794 F795 T796	M685-N689 WeakPolarHBondContact O-CB 3.32Å; M685-N689 VanDerWaalsContact O-CG 3.24Å; M685-N689 PolarHBondContact O-N 3.47Å; M685-N689 PolarHBondContact O-ND2 2.8Å; I686-N689 PolarHBondContact O-N 2.86Å; L687-N689 PolarHBondContact O-N 3.25Å; N689-A693 WeakPolarHBondContact O-CB 3.12Å; N689-A693 PolarHBondContact O-N 3.35Å; N689-Y792 HydrophobicContact CB-CD2 4.1Å; N689-Y792 HydrophobicContact CB-CE2 3.47Å; N689-Y792 VanDerWaalsContact CB-CE2 3.47Å; N689-Y792 PolarHBondContact ND2-OH 3.28Å; N689-T793 VanDerWaalsContact CB-O 3.26Å; N689-T793 WeakPolarHBondContact CB-O 3.42Å; N689-T793 PolarHBondContact OD1-O 3.1Å; N689-H794 WeakPolarHBondContact OD1-CA 3.23Å; N689-F795 WeakPolarHBondContact OD1-CB 3.49Å; N689-F795 PolarHBondContact OD1-N 3.22Å; N689-T796 PolarHBondContact ND2-OG1 3.18Å; N689-T796 PolarHBondContact OD1-N 3.37Å
690	H	96.4	Very high	95.8	Very high	13 Å²	13	21.2 Å²	21.2	6%	0.06	10%	0.104	C	C	.	.	H	α-helix	trans	-63.7	-50.1	178.3	171.7	61.9	0	0	0	112.1	I686 L687 A688 V692 A693 K694 L789 D790 T791	I686-H690 WeakPolarHBondContact O-CB 3.25Å; I686-H690 PolarHBondContact O-N 2.84Å; L687-H690 PolarHBondContact O-N 3.47Å; A688-H690 PolarHBondContact O-N 3.32Å; H690-V692 VanDerWaalsContact C-N 3.34Å; H690-V692 PolarHBondContact O-N 3.36Å; H690-A693 VanDerWaalsContact O-CB 3.31Å; H690-A693 WeakPolarHBondContact O-CB 3.48Å; H690-A693 PolarHBondContact O-N 3.44Å; H690-A693 VanDerWaalsContact O-N 3.11Å; H690-K694 PolarHBondContact O-N 3.02Å; H690-L789 HydrophobicContact CB-CD1 4.12Å; H690-D790 IonicContact CE1-OD1 2.77Å; H690-D790 PolarHBondContact CE1-OD1 3.08Å; H690-D790 IonicContact ND1-OD1 2.73Å; H690-T791 PolarHBondContact ND1-O 3.27Å
691	W	97.3	Very high	95.7	Very high	57 Å²	57	23.6 Å²	23.6	22%	0.216	12%	0.119	C	C	.	.	H	α-helix	trans	-65.5	-36.9	-179.5	-84.3	98.3	0	0	0	113.1	W563 I572 V575 Y577 L687 K694 K695	W563-W691 AromaticContact CE2-CD1 3.84Å; W563-W691 HydrophobicContact CZ2-CB 4.16Å; W563-W691 AromaticContact CZ2-CD1 3.97Å; W563-W691 HydrophobicContact CZ2-CG 4.25Å; W563-W691 AromaticContact NE1-CD1 3.16Å; W563-W691 AromaticContact NE1-CD2 3.81Å; W563-W691 AromaticContact NE1-CE2 3.81Å; W563-W691 AromaticContact NE1-CG 3.4Å; W563-W691 AromaticContact NE1-NE1 3.42Å; I572-W691 HydrophobicContact CB-CZ2 4.2Å; I572-W691 HydrophobicContact CD1-CZ2 3.7Å; I572-W691 VanDerWaalsContact CD1-NE1 3.31Å; I572-W691 HydrophobicContact CG2-CH2 4.16Å; I572-W691 HydrophobicContact CG2-CZ2 3.73Å; V575-W691 HydrophobicContact CB-CE3 4.36Å; V575-W691 HydrophobicContact CB-CZ3 4.46Å; V575-W691 HydrophobicContact CG1-CE3 4.44Å; V575-W691 HydrophobicContact CG2-CD2 3.97Å; V575-W691 HydrophobicContact CG2-CE3 3.73Å; V575-W691 HydrophobicContact CG2-CH2 3.73Å; V575-W691 HydrophobicContact CG2-CZ2 4.01Å; V575-W691 HydrophobicContact CG2-CZ3 3.59Å; Y577-W691 HydrophobicContact CE1-CB 4.41Å; Y577-W691 PolarHBondContact OH-O 3.02Å; L687-W691 PolarHBondContact O-N 3.43Å; L687-W691 VanDerWaalsContact O-N 3.07Å; W691-K694 PolarHBondContact O-N 2.99Å; W691-K695 WeakPolarHBondContact O-CB 3.43Å; W691-K695 PolarHBondContact O-N 2.95Å
692	V	98.2	Very high	95.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.8	-41.5	172.3	172.1	0	0	0	0	111	I561 Y577 A688 H690 K695 I696 T793 F795 V807 L811	I561-V692 HydrophobicContact CD1-CG2 3.75Å; I561-V692 HydrophobicContact CG1-CG2 3.88Å; Y577-V692 HydrophobicContact CD1-CG2 4.49Å; Y577-V692 HydrophobicContact CE1-CG2 4.34Å; A688-V692 WeakPolarHBondContact O-CB 3.27Å; A688-V692 VanDerWaalsContact O-CG2 3.28Å; A688-V692 WeakPolarHBondContact O-CG2 3.32Å; A688-V692 PolarHBondContact O-N 3.02Å; H690-V692 VanDerWaalsContact C-N 3.34Å; H690-V692 PolarHBondContact O-N 3.36Å; V692-K695 PolarHBondContact O-N 2.68Å; V692-I696 HydrophobicContact CG1-CG2 4.32Å; V692-I696 WeakPolarHBondContact O-CG1 3.38Å; V692-I696 PolarHBondContact O-N 3.36Å; V692-T793 HydrophobicContact CG1-CG2 4.33Å; V692-F795 HydrophobicContact CB-CB 4.32Å; V692-F795 HydrophobicContact CB-CD2 4.5Å; V692-F795 HydrophobicContact CB-CG 4.27Å; V692-F795 HydrophobicContact CG1-CB 4.11Å; V692-F795 HydrophobicContact CG1-CD2 3.89Å; V692-F795 HydrophobicContact CG1-CG 4.07Å; V692-F795 HydrophobicContact CG2-CB 4.43Å; V692-F795 HydrophobicContact CG2-CD1 4Å; V692-F795 HydrophobicContact CG2-CD2 4.1Å; V692-F795 HydrophobicContact CG2-CE1 4.33Å; V692-F795 HydrophobicContact CG2-CE2 4.4Å; V692-F795 HydrophobicContact CG2-CG 3.89Å; V692-V807 HydrophobicContact CG1-CG1 3.46Å; V692-V807 VanDerWaalsContact CG1-CG1 3.46Å; V692-L811 HydrophobicContact CG1-CD1 4.46Å; V692-L811 HydrophobicContact CG1-CD2 4.25Å; V692-L811 HydrophobicContact CG2-CD2 4.03Å
693	A	97.5	Very high	95.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-57	-50.1	175.9	0	0	0	0	0	111.7	N689 H690 K695 I696 W697 L706 T793	N689-A693 WeakPolarHBondContact O-CB 3.12Å; N689-A693 PolarHBondContact O-N 3.35Å; H690-A693 VanDerWaalsContact O-CB 3.31Å; H690-A693 WeakPolarHBondContact O-CB 3.48Å; H690-A693 PolarHBondContact O-N 3.44Å; H690-A693 VanDerWaalsContact O-N 3.11Å; A693-K695 PolarHBondContact O-N 3.08Å; A693-I696 VanDerWaalsContact O-CG1 3.3Å; A693-I696 WeakPolarHBondContact O-CG1 3.42Å; A693-I696 PolarHBondContact O-N 3.14Å; A693-W697 WeakPolarHBondContact O-CB 3.29Å; A693-W697 PolarHBondContact O-N 3.22Å; A693-L706 HydrophobicContact CB-CD2 3.77Å; A693-T793 HydrophobicContact CB-CG2 3.85Å
694	K	95.8	Very high	95.5	Very high	31 Å²	31	30.2 Å²	30.2	14%	0.135	14%	0.142	C	C	.	.	H	α-helix	trans	-56	-49.8	176.4	-170.8	167.6	-169.7	162.3	0	110.8	H690 W691 I696 W697 E698 E1024	H690-K694 PolarHBondContact O-N 3.02Å; W691-K694 PolarHBondContact O-N 2.99Å; K694-I696 PolarHBondContact O-N 2.67Å; K694-W697 PolarHBondContact O-N 3.21Å; K694-E698 WeakPolarHBondContact CE-OE1 3.3Å; K694-E698 HydrophobicContact CG-CG 4.48Å; K694-E698 WeakPolarHBondContact CG-OE1 3.37Å; K694-E698 WeakPolarHBondContact O-CB 3.5Å; K694-E698 VanDerWaalsContact O-CG 3.28Å; K694-E698 WeakPolarHBondContact O-CG 3.28Å; K694-E698 PolarHBondContact O-N 3.5Å; K694-E1024 IonicContact NZ-OE1 3.54Å; K694-E1024 PolarHBondContact NZ-OE1 2.88Å
695	K	96.6	Very high	95.5	Very high	31 Å²	31	30 Å²	30	14%	0.135	14%	0.14	C	C	.	.	H	α-helix	trans	-62.1	-44.5	-177.6	-177	57.2	-177	169.5	0	113.9	Y577 W691 V692 A693 S699 L811 D818	Y577-K695 HydrophobicContact CD2-CG 4.41Å; Y577-K695 HydrophobicContact CE1-CB 4.42Å; Y577-K695 HydrophobicContact CE2-CB 4.4Å; Y577-K695 HydrophobicContact CE2-CD 4.38Å; Y577-K695 HydrophobicContact CE2-CG 4.23Å; W691-K695 WeakPolarHBondContact O-CB 3.43Å; W691-K695 PolarHBondContact O-N 2.95Å; V692-K695 PolarHBondContact O-N 2.68Å; A693-K695 PolarHBondContact O-N 3.08Å; K695-S699 WeakPolarHBondContact O-CB 3.36Å; K695-S699 PolarHBondContact O-N 3.09Å; K695-S699 PolarHBondContact O-OG 2.91Å; K695-L811 HydrophobicContact CB-CD1 4.35Å; K695-L811 HydrophobicContact CG-CD1 3.88Å; K695-D818 WeakPolarHBondContact CE-OD2 3.27Å; K695-D818 VanDerWaalsContact NZ-CG 3.29Å; K695-D818 IonicContact NZ-OD1 3.38Å; K695-D818 PolarHBondContact NZ-OD1 2.7Å; K695-D818 IonicContact NZ-OD2 3.72Å; K695-D818 PolarHBondContact NZ-OD2 2.84Å
696	I	96.3	Very high	95.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-72.2	-35.2	-179.1	65	173.4	0	0	0	111.7	V692 A693 K694 S699 F700 A704 L706 T793 V807 L810 L811	V692-I696 HydrophobicContact CG1-CG2 4.32Å; V692-I696 WeakPolarHBondContact O-CG1 3.38Å; V692-I696 PolarHBondContact O-N 3.36Å; A693-I696 VanDerWaalsContact O-CG1 3.3Å; A693-I696 WeakPolarHBondContact O-CG1 3.42Å; A693-I696 PolarHBondContact O-N 3.14Å; K694-I696 PolarHBondContact O-N 2.67Å; I696-S699 PolarHBondContact O-N 2.99Å; I696-F700 PolarHBondContact O-N 3.41Å; I696-A704 HydrophobicContact CD1-CB 4.2Å; I696-A704 HydrophobicContact CG1-CB 4.06Å; I696-L706 HydrophobicContact CD1-CD2 4.04Å; I696-L706 HydrophobicContact CG1-CD2 4.27Å; I696-T793 HydrophobicContact CD1-CG2 4.41Å; I696-V807 HydrophobicContact CD1-CG1 4.23Å; I696-V807 HydrophobicContact CD1-CG2 4.35Å; I696-L810 HydrophobicContact CB-CB 4.41Å; I696-L810 HydrophobicContact CD1-CD1 4.39Å; I696-L810 HydrophobicContact CG2-CB 4.02Å; I696-L811 HydrophobicContact CG2-CB 4.18Å; I696-L811 HydrophobicContact CG2-CD1 4.43Å
697	W	94.9	Very high	95.6	Very high	57 Å²	57	30.1 Å²	30.1	22%	0.216	14%	0.139	C	C	.	.	H	α-helix	trans	-68.9	-47.4	178.1	168.1	59.4	0	0	0	111.4	A693 K694 S699 F700 P701 A704 L706 F782 T791	A693-W697 WeakPolarHBondContact O-CB 3.29Å; A693-W697 PolarHBondContact O-N 3.22Å; K694-W697 PolarHBondContact O-N 3.21Å; W697-S699 PolarHBondContact O-N 2.96Å; W697-F700 CarbonylContact O-C 3.5Å; W697-F700 PolarHBondContact O-N 3Å; W697-F700 VanDerWaalsContact O-N 3.16Å; W697-P701 VanDerWaalsContact O-CA 3.27Å; W697-P701 WeakPolarHBondContact O-CA 3.48Å; W697-P701 WeakPolarHBondContact O-CD 3.25Å; W697-A704 HydrophobicContact CB-CB 4.48Å; W697-L706 HydrophobicContact CB-CD1 4.46Å; W697-F782 AromaticContact CD1-CE2 3.84Å; W697-F782 AromaticContact NE1-CE2 3.54Å; W697-T791 HydrophobicContact CE3-CG2 4.31Å
698	E	94.1	Very high	95.4	Very high	106 Å²	106	30.3 Å²	30.3	50%	0.495	14%	0.139	S	C	.	.	H	α-helix	trans	-55.5	-37.8	173.9	-73.6	172.2	175.8	0	0	111.9	K694	K694-E698 WeakPolarHBondContact CE-OE1 3.3Å; K694-E698 HydrophobicContact CG-CG 4.48Å; K694-E698 WeakPolarHBondContact CG-OE1 3.37Å; K694-E698 WeakPolarHBondContact O-CB 3.5Å; K694-E698 VanDerWaalsContact O-CG 3.28Å; K694-E698 WeakPolarHBondContact O-CG 3.28Å; K694-E698 PolarHBondContact O-N 3.5Å
699	S	94.3	Very high	95.2	Very high	7 Å²	7	31.2 Å²	31.2	5%	0.049	14%	0.143	C	C	.	.	H	α-helix	trans	-78.7	-33.9	-179	-58.1	0	0	0	0	112.9	K695 I696 W697 A814 K817	K695-S699 WeakPolarHBondContact O-CB 3.36Å; K695-S699 PolarHBondContact O-N 3.09Å; K695-S699 PolarHBondContact O-OG 2.91Å; I696-S699 PolarHBondContact O-N 2.99Å; W697-S699 PolarHBondContact O-N 2.96Å; S699-A814 WeakPolarHBondContact OG-CB 3.44Å; S699-K817 PolarHBondContact O-NZ 3.2Å
700	F	93.2	Very high	94.7	Very high	16 Å²	16	32.9 Å²	32.9	7%	0.07	15%	0.154	C	C	.	.			trans	-138.6	72	-174.9	-54.7	-71.4	0	0	0	112.1	I696 W697 H702 Q703 A704 L810 A813 A814 K817 I823 L827	I696-F700 PolarHBondContact O-N 3.41Å; W697-F700 CarbonylContact O-C 3.5Å; W697-F700 PolarHBondContact O-N 3Å; W697-F700 VanDerWaalsContact O-N 3.16Å; F700-H702 PolarHBondContact O-N 2.79Å; F700-Q703 HydrophobicContact CB-CB 4.35Å; F700-Q703 PolarHBondContact O-N 2.73Å; F700-Q703 VanDerWaalsContact O-N 3.08Å; F700-A704 PolarHBondContact O-N 2.82Å; F700-L810 HydrophobicContact CD2-CD2 4.36Å; F700-A813 HydrophobicContact CE2-CB 4.03Å; F700-A813 HydrophobicContact CZ-CB 3.81Å; F700-A814 HydrophobicContact CE2-CB 3.97Å; F700-K817 HydrophobicContact CE1-CD 4.42Å; F700-I823 HydrophobicContact CE1-CD1 4.45Å; F700-L827 HydrophobicContact CD1-CD1 4.01Å; F700-L827 HydrophobicContact CE1-CD1 3.53Å; F700-L827 HydrophobicContact CZ-CD1 4.01Å
701	P	91.8	Very high	94.3	Very high	53 Å²	53	36.7 Å²	36.7	34%	0.344	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-28.5	-170	-28.8	36	0	0	0	115.2	W697 T774	W697-P701 VanDerWaalsContact O-CA 3.27Å; W697-P701 WeakPolarHBondContact O-CA 3.48Å; W697-P701 WeakPolarHBondContact O-CD 3.25Å; P701-T774 VanDerWaalsContact C-OG1 3.31Å; P701-T774 WeakPolarHBondContact O-CB 3.47Å; P701-T774 PolarHBondContact O-OG1 3.4Å
702	H	90.5	Very high	93.8	Very high	128 Å²	128	34.3 Å²	34.3	59%	0.593	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.3	5.4	-177.9	-52.3	-52.2	0	0	0	114.2	F700 G775	F700-H702 PolarHBondContact O-N 2.79Å; H702-G775 WeakPolarHBondContact O-CA 3.47Å; H702-G775 PolarHBondContact O-N 2.77Å
703	Q	91.4	Very high	93	Very high	71 Å²	71	39.8 Å²	39.8	33%	0.332	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-141.2	24.1	-172.6	-61	-179.7	-83.6	0	0	112.6	F700 T774 F828	F700-Q703 HydrophobicContact CB-CB 4.35Å; F700-Q703 PolarHBondContact O-N 2.73Å; F700-Q703 VanDerWaalsContact O-N 3.08Å; Q703-T774 PolarHBondContact N-OG1 3.13Å; Q703-F828 PolarHBondContact NE2-O 2.83Å
704	A	94.8	Very high	92.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.21	C	C	.	.			trans	-94.1	142.3	174.5	0	0	0	0	0	110.9	I696 W697 F700 T774	I696-A704 HydrophobicContact CD1-CB 4.2Å; I696-A704 HydrophobicContact CG1-CB 4.06Å; W697-A704 HydrophobicContact CB-CB 4.48Å; F700-A704 PolarHBondContact O-N 2.82Å; A704-T774 HydrophobicContact CB-CG2 3.77Å; A704-T774 PolarHBondContact N-OG1 2.87Å; A704-T774 VanDerWaalsContact N-OG1 3.14Å; A704-T774 PolarHBondContact O-N 3.48Å
705	L	97.1	Very high	91.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	111.1	171.6	-171.8	156.6	0	0	0	108.3	Y771 T793 V806 V807 L810 L833 I840	L705-Y771 HydrophobicContact CD2-CD1 3.78Å; L705-Y771 HydrophobicContact CD2-CE1 4.41Å; L705-T793 PolarHBondContact O-OG1 3.39Å; L705-V806 HydrophobicContact CB-CG1 4.37Å; L705-V806 HydrophobicContact CD1-CB 4.16Å; L705-V806 HydrophobicContact CD1-CG1 3.91Å; L705-V807 HydrophobicContact CB-CG2 4.37Å; L705-V807 HydrophobicContact CD2-CG2 4.04Å; L705-L810 HydrophobicContact CB-CD1 4.15Å; L705-L833 HydrophobicContact CB-CD1 4.2Å; L705-L833 HydrophobicContact CB-CD2 4.42Å; L705-L833 HydrophobicContact CD1-CD1 4.02Å; L705-L833 HydrophobicContact CG-CD1 4.49Å; L705-I840 HydrophobicContact CD1-CD1 4.24Å
706	L	97.6	Very high	90.7	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	172	177.9	-64.4	-170	0	0	0	110.9	A693 I696 W697 Y771 F772 T774 F782	A693-L706 HydrophobicContact CB-CD2 3.77Å; I696-L706 HydrophobicContact CD1-CD2 4.04Å; I696-L706 HydrophobicContact CG1-CD2 4.27Å; W697-L706 HydrophobicContact CB-CD1 4.46Å; L706-Y771 CarbonylContact O-C 3.55Å; L706-Y771 VanDerWaalsContact O-CA 3.3Å; L706-Y771 WeakPolarHBondContact O-CA 3.35Å; L706-F772 HydrophobicContact CB-CD1 4.14Å; L706-F772 HydrophobicContact CB-CE1 3.41Å; L706-F772 VanDerWaalsContact CB-CE1 3.41Å; L706-F772 HydrophobicContact CB-CE2 4.33Å; L706-F772 HydrophobicContact CB-CZ 3.53Å; L706-F772 HydrophobicContact CD1-CZ 4.05Å; L706-F772 HydrophobicContact CG-CZ 4.36Å; L706-F772 PolarHBondContact N-O 3.17Å; L706-F772 VanDerWaalsContact N-O 3.09Å; L706-F772 WeakPolarHBondContact O-CD1 3.46Å; L706-F772 PolarHBondContact O-N 3.36Å; L706-T774 HydrophobicContact CB-CG2 4.39Å; L706-T774 HydrophobicContact CD1-CG2 3.41Å; L706-T774 VanDerWaalsContact CD1-CG2 3.41Å; L706-T774 HydrophobicContact CG-CG2 3.62Å; L706-F782 HydrophobicContact CD1-CD2 4Å; L706-F782 HydrophobicContact CD1-CE2 4.37Å; L706-F782 HydrophobicContact CD1-CG 4.43Å
707	R	97.2	Very high	90.2	Very high	42 Å²	42	46.8 Å²	46.8	16%	0.158	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	113.2	177.5	-172.9	178.9	-173.2	-132.6	-5	109.9	L770 Y771 Y792 H794	R707-L770 CarbonylContact C-O 3.52Å; R707-L770 WeakPolarHBondContact CA-O 3.46Å; R707-Y771 HydrophobicContact CB-CD1 3.97Å; R707-Y771 HydrophobicContact CB-CE1 4.23Å; R707-Y771 HydrophobicContact CG-CD1 4.17Å; R707-Y771 HydrophobicContact CG-CE1 4.3Å; R707-Y792 HydrophobicContact CB-CD1 4.23Å; R707-Y792 PolarHBondContact N-O 2.79Å; R707-H794 VanDerWaalsContact CD-CE1 3.41Å; R707-H794 WeakPolarHBondContact CD-CE1 3.47Å; R707-H794 PolarHBondContact NE-CE1 3.44Å; R707-H794 PolarHBondContact NH1-CE1 3Å; R707-H794 PolarHBondContact NH1-NE2 3.27Å
708	Q	93.4	Very high	89.7	Confident	20 Å²	20	46.8 Å²	46.8	9%	0.093	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	157.6	178.4	64.9	-171.2	23.3	0	0	111.2	A769 L770 F772 E781	Q708-A769 CarbonylContact O-C 3.57Å; Q708-A769 VanDerWaalsContact O-CA 3.27Å; Q708-A769 WeakPolarHBondContact O-CA 3.49Å; Q708-A769 WeakPolarHBondContact O-CB 3.23Å; Q708-L770 PolarHBondContact N-O 3.31Å; Q708-L770 PolarHBondContact O-N 3.27Å; Q708-F772 HydrophobicContact CB-CD1 3.87Å; Q708-F772 HydrophobicContact CB-CE1 3.56Å; Q708-F772 HydrophobicContact CB-CZ 4.39Å; Q708-F772 HydrophobicContact CG-CD1 3.64Å; Q708-F772 HydrophobicContact CG-CE1 3.88Å; Q708-F772 HydrophobicContact CG-CG 4.37Å; Q708-E781 PolarHBondContact OE1-O 3.45Å
709	H	92.3	Very high	89.1	Confident	19 Å²	19	44.8 Å²	44.8	9%	0.088	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-127.6	99.2	168.7	-178.6	-173.3	0	0	0	107.4	S767 A769 H783 H784 Y785 G786	H709-S767 PolarHBondContact CD2-O 2.83Å; H709-S767 PolarHBondContact NE2-O 2.95Å; H709-A769 HydrophobicContact CB-CB 4.02Å; H709-H783 PolarHBondContact N-O 2.93Å; H709-H784 HydrophobicContact CB-CB 4.42Å; H709-H784 AromaticContact ND1-CE1 3.74Å; H709-Y785 WeakPolarHBondContact O-CB 3.47Å; H709-Y785 PolarHBondContact O-N 3Å; H709-G786 PolarHBondContact ND1-N 2.92Å
710	P	88.9	Confident	88.8	Confident	39 Å²	39	44.6 Å²	44.6	25%	0.253	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-67.2	156.2	-176.5	27.6	-33.5	0	0	0	110.7	S767	P710-S767 WeakPolarHBondContact O-CB 3.13Å
711	P	86.9	Confident	88.6	Confident	92 Å²	92	49.1 Å²	49.1	60%	0.597	24%	0.244	S	C	*	.	P	Polyproline II helix	trans	-59	146.4	177.2	24.8	-33.5	0	0	0	111	S767 Y785	P711-S767 PolarHBondContact O-OG 2.77Å; P711-S767 VanDerWaalsContact O-OG 3.08Å; P711-Y785 HydrophobicContact CB-CD2 4.15Å; P711-Y785 HydrophobicContact CB-CE2 4.41Å
712	P	86	Confident	88.2	Confident	8 Å²	8	51.1 Å²	51.1	5%	0.052	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-75.9	149.7	-177.9	34.3	-39.5	0	0	0	112.3	Q714 F717 M766 S767 Y785	P712-Q714 PolarHBondContact O-N 3.18Å; P712-F717 HydrophobicContact CB-CE2 3.47Å; P712-F717 VanDerWaalsContact CB-CE2 3.47Å; P712-F717 HydrophobicContact CB-CZ 3.73Å; P712-F717 HydrophobicContact CG-CE2 3.39Å; P712-F717 HydrophobicContact CG-CZ 3.57Å; P712-M766 HydrophobicContact CB-SD 3.92Å; P712-M766 HydrophobicContact CG-CE 4.38Å; P712-M766 HydrophobicContact CG-SD 3.82Å; P712-S767 WeakPolarHBondContact CA-OG 3.42Å; P712-Y785 HydrophobicContact CG-CD1 4.46Å; P712-Y785 HydrophobicContact CG-CE1 3.83Å
713	H	81.9	Confident	87.9	Confident	114 Å²	114	45.2 Å²	45.2	53%	0.528	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-73.8	127	176.7	-65.3	-85.2	0	0	0	110.6	E715 F716	H713-E715 HydrophobicContact CB-CG 4.04Å; H713-E715 PolarHBondContact O-N 3.46Å; H713-E715 VanDerWaalsContact O-N 3.14Å; H713-F716 HydrophobicContact CB-CD2 3.83Å; H713-F716 HydrophobicContact CB-CE2 3.78Å; H713-F716 HydrophobicContact CB-CZ 4.46Å; H713-F716 AromaticContact CD2-CE2 3.88Å; H713-F716 PolarHBondContact O-N 3.4Å; H713-F716 VanDerWaalsContact O-N 3.08Å
714	Q	82.3	Confident	87.8	Confident	56 Å²	56	41.9 Å²	41.9	26%	0.262	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-61.5	-27.3	-173.3	-64.3	-62.5	-38.9	0	0	113.8	P712 F716 F717 T733	P712-Q714 PolarHBondContact O-N 3.18Å; Q714-F716 VanDerWaalsContact C-N 3.25Å; Q714-F716 PolarHBondContact O-N 3.03Å; Q714-F717 PolarHBondContact O-N 3.06Å; Q714-T733 PolarHBondContact NE2-O 3.05Å; Q714-T733 VanDerWaalsContact OE1-CB 3.32Å; Q714-T733 PolarHBondContact OE1-OG1 3.33Å
715	E	77.6	Confident	87.5	Confident	79 Å²	79	49.9 Å²	49.9	37%	0.369	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-60.7	-31.2	176.1	53.5	175.3	-162.7	0	0	113.6	H713 F717 S718	H713-E715 HydrophobicContact CB-CG 4.04Å; H713-E715 PolarHBondContact O-N 3.46Å; H713-E715 VanDerWaalsContact O-N 3.14Å; E715-F717 VanDerWaalsContact C-N 3.31Å; E715-F717 PolarHBondContact O-N 3.12Å; E715-S718 WeakPolarHBondContact O-CB 3.5Å; E715-S718 PolarHBondContact O-N 2.91Å; E715-S718 PolarHBondContact O-OG 3.3Å
716	F	81.9	Confident	86.9	Confident	75 Å²	75	52 Å²	52	33%	0.329	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-76.3	-16.5	-178.8	-58.3	-34	0	0	0	113.4	H713 Q714 A765	H713-F716 HydrophobicContact CB-CD2 3.83Å; H713-F716 HydrophobicContact CB-CE2 3.78Å; H713-F716 HydrophobicContact CB-CZ 4.46Å; H713-F716 AromaticContact CD2-CE2 3.88Å; H713-F716 PolarHBondContact O-N 3.4Å; H713-F716 VanDerWaalsContact O-N 3.08Å; Q714-F716 VanDerWaalsContact C-N 3.25Å; Q714-F716 PolarHBondContact O-N 3.03Å; F716-A765 HydrophobicContact CB-CB 3.89Å; F716-A765 WeakPolarHBondContact O-CB 3.18Å
717	F	86.1	Confident	86.3	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-88	-1.1	175.4	-67.1	-79	0	0	0	114.3	P712 Q714 E715 E719 L720 R721 T733 L739 A765 M766	P712-F717 HydrophobicContact CB-CE2 3.47Å; P712-F717 VanDerWaalsContact CB-CE2 3.47Å; P712-F717 HydrophobicContact CB-CZ 3.73Å; P712-F717 HydrophobicContact CG-CE2 3.39Å; P712-F717 HydrophobicContact CG-CZ 3.57Å; Q714-F717 PolarHBondContact O-N 3.06Å; E715-F717 VanDerWaalsContact C-N 3.31Å; E715-F717 PolarHBondContact O-N 3.12Å; F717-E719 PolarHBondContact O-N 3.2Å; F717-L720 HydrophobicContact CD1-CD2 3.65Å; F717-L720 HydrophobicContact CE1-CD2 4.23Å; F717-L720 PolarHBondContact O-N 2.7Å; F717-R721 WeakPolarHBondContact O-CG 3.27Å; F717-R721 PolarHBondContact O-N 2.87Å; F717-T733 HydrophobicContact CB-CG2 3.76Å; F717-T733 HydrophobicContact CD1-CG2 3.82Å; F717-T733 HydrophobicContact CD2-CG2 4.04Å; F717-T733 HydrophobicContact CE1-CG2 4.4Å; F717-T733 HydrophobicContact CG-CG2 3.61Å; F717-L739 HydrophobicContact CE1-CD2 4.21Å; F717-L739 HydrophobicContact CZ-CD2 4.28Å; F717-A765 HydrophobicContact CD1-CB 3.63Å; F717-A765 HydrophobicContact CD2-CB 4.38Å; F717-A765 HydrophobicContact CE1-CB 3.6Å; F717-A765 HydrophobicContact CE2-CB 4.34Å; F717-A765 HydrophobicContact CG-CB 4.05Å; F717-A765 HydrophobicContact CZ-CB 3.97Å; F717-M766 HydrophobicContact CE1-CE 3.83Å; F717-M766 HydrophobicContact CZ-CE 3.51Å; F717-M766 HydrophobicContact CZ-SD 4.17Å
718	S	83.9	Confident	85.8	Confident	57 Å²	57	56.6 Å²	56.6	40%	0.399	30%	0.299	S	S	.	.	H	α-helix	trans	-52	-54	177.7	50.8	0	0	0	0	111.9	E715 L720 R721 E722	E715-S718 WeakPolarHBondContact O-CB 3.5Å; E715-S718 PolarHBondContact O-N 2.91Å; E715-S718 PolarHBondContact O-OG 3.3Å; S718-L720 VanDerWaalsContact C-N 3.34Å; S718-L720 PolarHBondContact O-N 3.22Å; S718-R721 PolarHBondContact O-N 3.21Å; S718-E722 WeakPolarHBondContact O-CG 3.22Å; S718-E722 PolarHBondContact O-N 3.02Å
719	E	82.1	Confident	85.7	Confident	64 Å²	64	57.6 Å²	57.6	30%	0.299	30%	0.303	S	S	.	.	H	α-helix	trans	-62.8	-39.2	-179.5	-165.7	173.5	-157.7	0	0	112.1	F717 C723 M761 S882 R884	F717-E719 PolarHBondContact O-N 3.2Å; E719-C723 WeakPolarHBondContact O-CB 3.48Å; E719-C723 PolarHBondContact O-N 3.38Å; E719-C723 PolarHBondContact O-SG 3.49Å; E719-M761 HydrophobicContact CB-CE 4.22Å; E719-M761 HydrophobicContact CG-CE 3.75Å; E719-S882 WeakPolarHBondContact OE1-CB 3.46Å; E719-S882 PolarHBondContact OE1-OG 3.11Å; E719-R884 IonicContact OE1-CZ 2.62Å; E719-R884 IonicContact OE1-NH1 3.84Å; E719-R884 IonicContact OE1-NH2 2.9Å; E719-R884 PolarHBondContact OE1-NH2 2.77Å
720	L	88.1	Confident	85.7	Confident	3 Å²	3	64.5 Å²	64.5	2%	0.016	33%	0.333	C	S	.	.	H	α-helix	trans	-61.1	-50	175.8	177	70.3	0	0	0	111.7	F717 S718 E722 C723 A724 I731 L758 M761 A762	F717-L720 HydrophobicContact CD1-CD2 3.65Å; F717-L720 HydrophobicContact CE1-CD2 4.23Å; F717-L720 PolarHBondContact O-N 2.7Å; S718-L720 VanDerWaalsContact C-N 3.34Å; S718-L720 PolarHBondContact O-N 3.22Å; L720-E722 VanDerWaalsContact C-N 3.34Å; L720-E722 PolarHBondContact O-N 3.16Å; L720-C723 PolarHBondContact O-N 2.98Å; L720-A724 WeakPolarHBondContact O-CB 3.45Å; L720-A724 PolarHBondContact O-N 3.5Å; L720-I731 HydrophobicContact CD2-CG2 3.93Å; L720-L758 HydrophobicContact CD1-CB 4.1Å; L720-L758 HydrophobicContact CD1-CD2 3.73Å; L720-L758 VanDerWaalsContact CD1-O 3.27Å; L720-L758 WeakPolarHBondContact CD1-O 3.3Å; L720-M761 HydrophobicContact CD1-CB 3.7Å; L720-A762 HydrophobicContact CD2-CB 3.86Å
721	R	89.1	Confident	85.9	Confident	110 Å²	110	63 Å²	63	42%	0.415	32%	0.323	S	S	.	.	H	α-helix	trans	-64.3	-39.8	-178	-69.9	-179.2	-57.6	179.5	4	111.6	F717 S718 K725	F717-R721 WeakPolarHBondContact O-CG 3.27Å; F717-R721 PolarHBondContact O-N 2.87Å; S718-R721 PolarHBondContact O-N 3.21Å; R721-K725 VanDerWaalsContact O-CB 3.27Å; R721-K725 WeakPolarHBondContact O-CB 3.19Å; R721-K725 PolarHBondContact O-N 3.14Å
722	E	83.6	Confident	86	Confident	96 Å²	96	59.5 Å²	59.5	45%	0.449	30%	0.299	S	S	.	.	H	α-helix	trans	-63.3	-44.5	175.1	-71.7	-170.1	144.1	0	0	111.8	S718 L720 K725 A726 Q930	S718-E722 WeakPolarHBondContact O-CG 3.22Å; S718-E722 PolarHBondContact O-N 3.02Å; L720-E722 VanDerWaalsContact C-N 3.34Å; L720-E722 PolarHBondContact O-N 3.16Å; E722-K725 PolarHBondContact O-N 3.01Å; E722-A726 PolarHBondContact O-N 3.38Å; E722-Q930 PolarHBondContact OE1-NE2 2.84Å
723	C	84.7	Confident	86.1	Confident	4 Å²	4	59.5 Å²	59.5	3%	0.027	30%	0.299	C	S	.	.	H	α-helix	trans	-64.2	-47.4	177.7	-70	0	0	0	0	111.6	E719 L720 K725 A726 K727 L758 M761 Y881 F948	E719-C723 WeakPolarHBondContact O-CB 3.48Å; E719-C723 PolarHBondContact O-N 3.38Å; E719-C723 PolarHBondContact O-SG 3.49Å; L720-C723 PolarHBondContact O-N 2.98Å; C723-K725 VanDerWaalsContact C-N 3.33Å; C723-K725 PolarHBondContact O-N 3.48Å; C723-A726 WeakPolarHBondContact O-CB 3.47Å; C723-A726 PolarHBondContact O-N 3.33Å; C723-K727 PolarHBondContact O-N 2.88Å; C723-L758 HydrophobicContact CB-CD2 4.45Å; C723-M761 HydrophobicContact CB-CE 4.15Å; C723-M761 HydrophobicContact CB-SD 4.32Å; C723-Y881 PolarHBondContact SG-O 2.92Å; C723-Y881 VanDerWaalsContact SG-O 3.38Å; C723-F948 HydrophobicContact CB-CE2 4.24Å; C723-F948 HydrophobicContact CB-CZ 4.06Å; C723-F948 WeakPolarHBondContact O-CE2 3.44Å
724	A	88.3	Confident	86.3	Confident	0 Å²	0	63 Å²	63	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-58.5	-45.6	177	0	0	0	0	0	111.9	L720 A726 K727 G728 F729 I731 L758	L720-A724 WeakPolarHBondContact O-CB 3.45Å; L720-A724 PolarHBondContact O-N 3.5Å; A724-A726 VanDerWaalsContact C-N 3.27Å; A724-A726 PolarHBondContact O-N 3.18Å; A724-K727 CarbonylContact O-C 3.6Å; A724-K727 PolarHBondContact O-N 3.13Å; A724-G728 PolarHBondContact O-N 3.49Å; A724-F729 CarbonylContact C-O 3.49Å; A724-F729 HydrophobicContact CB-CB 4.12Å; A724-F729 PolarHBondContact O-N 2.9Å; A724-I731 HydrophobicContact CB-CB 4.46Å; A724-I731 HydrophobicContact CB-CD1 4.33Å; A724-I731 HydrophobicContact CB-CG1 3.41Å; A724-I731 VanDerWaalsContact CB-CG1 3.41Å; A724-L758 HydrophobicContact CB-CD1 4.49Å; A724-L758 HydrophobicContact CB-CD2 4.12Å
725	K	89	Confident	86.5	Confident	169 Å²	169	61.6 Å²	61.6	74%	0.735	30%	0.304	S	S	*	.	H	α-helix	trans	-61.5	-34.9	178.4	-172.3	177.9	-179	-179.6	0	112.5	R721 E722 C723 K727 G728 F729	R721-K725 VanDerWaalsContact O-CB 3.27Å; R721-K725 WeakPolarHBondContact O-CB 3.19Å; R721-K725 PolarHBondContact O-N 3.14Å; E722-K725 PolarHBondContact O-N 3.01Å; C723-K725 VanDerWaalsContact C-N 3.33Å; C723-K725 PolarHBondContact O-N 3.48Å; K725-K727 PolarHBondContact O-N 3.14Å; K725-G728 PolarHBondContact O-N 3.32Å; K725-F729 WeakPolarHBondContact CA-O 3.43Å; K725-F729 PolarHBondContact N-O 2.88Å
726	A	83.9	Confident	87	Confident	43 Å²	43	58 Å²	58	36%	0.355	29%	0.288	S	S	.	.	H	α-helix	trans	-62.5	-27.7	176.4	0	0	0	0	0	113.1	E722 C723 A724 N931 L947	E722-A726 PolarHBondContact O-N 3.38Å; C723-A726 WeakPolarHBondContact O-CB 3.47Å; C723-A726 PolarHBondContact O-N 3.33Å; A724-A726 VanDerWaalsContact C-N 3.27Å; A724-A726 PolarHBondContact O-N 3.18Å; A726-N931 HydrophobicContact CB-CB 4.09Å; A726-L947 HydrophobicContact CB-CB 4.48Å; A726-L947 HydrophobicContact CB-CD1 3.86Å
727	K	85.1	Confident	87.3	Confident	73 Å²	73	57.6 Å²	57.6	32%	0.317	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	4.7	172.9	-80.7	-74.5	-176.8	166.2	0	114.2	C723 A724 K725 F729 F948	C723-K727 PolarHBondContact O-N 2.88Å; A724-K727 CarbonylContact O-C 3.6Å; A724-K727 PolarHBondContact O-N 3.13Å; K725-K727 PolarHBondContact O-N 3.14Å; K727-F729 HydrophobicContact CB-CD2 3.72Å; K727-F729 HydrophobicContact CB-CE2 3.91Å; K727-F948 HydrophobicContact CB-CE2 4.38Å; K727-F948 HydrophobicContact CD-CB 4.48Å; K727-F948 HydrophobicContact CD-CD2 4.1Å; K727-F948 HydrophobicContact CD-CG 4.45Å; K727-F948 HydrophobicContact CG-CD2 3.3Å; K727-F948 HydrophobicContact CG-CE2 3.52Å; K727-F948 HydrophobicContact CG-CG 3.98Å; K727-F948 HydrophobicContact CG-CZ 4.34Å
728	G	87.8	Confident	87.5	Confident	68 Å²	68	59.3 Å²	59.3	70%	0.701	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	9.8	-179.4	0	0	0	0	0	114.6	A724 K725	A724-G728 PolarHBondContact O-N 3.49Å; K725-G728 PolarHBondContact O-N 3.32Å
729	F	91.3	Very high	87.8	Confident	41 Å²	41	56.6 Å²	56.6	18%	0.18	28%	0.277	C	S	.	.			trans	-92	149.6	175.1	-59.3	-62.2	0	0	0	111.5	A724 K725 K727 A746 D748 V754 L758	A724-F729 CarbonylContact C-O 3.49Å; A724-F729 HydrophobicContact CB-CB 4.12Å; A724-F729 PolarHBondContact O-N 2.9Å; K725-F729 WeakPolarHBondContact CA-O 3.43Å; K725-F729 PolarHBondContact N-O 2.88Å; K727-F729 HydrophobicContact CB-CD2 3.72Å; K727-F729 HydrophobicContact CB-CE2 3.91Å; F729-A746 HydrophobicContact CB-CB 4Å; F729-A746 HydrophobicContact CD1-CB 4.03Å; F729-A746 HydrophobicContact CD2-CB 4.23Å; F729-A746 HydrophobicContact CG-CB 3.83Å; F729-D748 HydrophobicContact CE2-CB 4.35Å; F729-D748 HydrophobicContact CZ-CB 4.13Å; F729-V754 HydrophobicContact CE2-CG1 4.17Å; F729-L758 HydrophobicContact CD2-CD1 4.44Å
730	F	92.2	Very high	88.2	Confident	164 Å²	164	53.9 Å²	53.9	72%	0.719	27%	0.266	S	S	*	.			trans	-114.6	123.5	173.9	179	-99	0	0	0	109.1	D732 S742	F730-D732 HydrophobicContact CE1-CB 3.97Å; F730-S742 WeakPolarHBondContact O-CB 3.49Å
731	I	92.3	Very high	88.2	Confident	6 Å²	6	56.5 Å²	56.5	3%	0.031	28%	0.28	C	S	.	.			trans	-108.4	124.7	178.4	-59.2	-61	0	0	0	109.4	L720 A724 T733 L739 L743 A746	L720-I731 HydrophobicContact CD2-CG2 3.93Å; A724-I731 HydrophobicContact CB-CB 4.46Å; A724-I731 HydrophobicContact CB-CD1 4.33Å; A724-I731 HydrophobicContact CB-CG1 3.41Å; A724-I731 VanDerWaalsContact CB-CG1 3.41Å; I731-T733 HydrophobicContact CG2-CG2 4.21Å; I731-L739 HydrophobicContact CG2-CD1 3.55Å; I731-L743 HydrophobicContact CD1-CD2 3.92Å; I731-L743 HydrophobicContact CD1-CG 4.36Å; I731-A746 HydrophobicContact CD1-CB 3.98Å
732	D	88.6	Confident	88.4	Confident	20 Å²	20	52 Å²	52	11%	0.107	27%	0.265	C	S	.	.			trans	-106	110.7	-176.5	-173.1	-6	0	0	0	111.4	F730 R734 T738 L739 S742	F730-D732 HydrophobicContact CE1-CB 3.97Å; D732-R734 WeakPolarHBondContact OD1-CB 3.39Å; D732-R734 WeakPolarHBondContact OD1-CG 3.49Å; D732-R734 IonicContact OD1-CZ 3.01Å; D732-R734 PolarHBondContact OD1-N 3.42Å; D732-R734 VanDerWaalsContact OD1-N 3.15Å; D732-R734 IonicContact OD1-NE 3.22Å; D732-R734 PolarHBondContact OD1-NE 3.47Å; D732-R734 IonicContact OD2-CZ 2.82Å; D732-R734 IonicContact OD2-NE 3.4Å; D732-R734 PolarHBondContact OD2-NE 3.45Å; D732-R734 IonicContact OD2-NH2 3.08Å; D732-R734 PolarHBondContact OD2-NH2 2.97Å; D732-T738 CarbonylContact O-C 3.53Å; D732-T738 PolarHBondContact O-OG1 3.2Å; D732-T738 WeakPolarHBondContact OD2-CB 3.42Å; D732-L739 WeakPolarHBondContact O-CA 3Å; D732-L739 WeakPolarHBondContact O-CB 3.4Å; D732-L739 PolarHBondContact O-N 2.87Å; D732-L739 VanDerWaalsContact O-N 3.07Å; D732-S742 PolarHBondContact N-OG 3.04Å
733	T	88.4	Confident	88.8	Confident	8 Å²	8	47.5 Å²	47.5	5%	0.049	24%	0.244	C	C	.	.			trans	-99.5	13.4	-172.7	57.4	0	0	0	0	113.7	Q714 F717 I731 L739	Q714-T733 PolarHBondContact NE2-O 3.05Å; Q714-T733 VanDerWaalsContact OE1-CB 3.32Å; Q714-T733 PolarHBondContact OE1-OG1 3.33Å; F717-T733 HydrophobicContact CB-CG2 3.76Å; F717-T733 HydrophobicContact CD1-CG2 3.82Å; F717-T733 HydrophobicContact CD2-CG2 4.04Å; F717-T733 HydrophobicContact CE1-CG2 4.4Å; F717-T733 HydrophobicContact CG-CG2 3.61Å; I731-T733 HydrophobicContact CG2-CG2 4.21Å; T733-L739 HydrophobicContact CG2-CD1 4.18Å
734	R	85.6	Confident	89	Confident	187 Å²	187	51.2 Å²	51.2	71%	0.706	26%	0.263	S	S	*	.	S	Bend	trans	-70	-40.2	-176	-69.8	178.5	-62.8	165.1	4	113.4	D732	D732-R734 WeakPolarHBondContact OD1-CB 3.39Å; D732-R734 WeakPolarHBondContact OD1-CG 3.49Å; D732-R734 IonicContact OD1-CZ 3.01Å; D732-R734 PolarHBondContact OD1-N 3.42Å; D732-R734 VanDerWaalsContact OD1-N 3.15Å; D732-R734 IonicContact OD1-NE 3.22Å; D732-R734 PolarHBondContact OD1-NE 3.47Å; D732-R734 IonicContact OD2-CZ 2.82Å; D732-R734 IonicContact OD2-NE 3.4Å; D732-R734 PolarHBondContact OD2-NE 3.45Å; D732-R734 IonicContact OD2-NH2 3.08Å; D732-R734 PolarHBondContact OD2-NH2 2.97Å
735	S	86.8	Confident	89.1	Confident	26 Å²	26	57.3 Å²	57.3	18%	0.182	30%	0.296	C	S	.	.	S	Bend	trans	-136.8	168	173.4	75.5	0	0	0	0	111.2	K737 T738 L739	S735-K737 VanDerWaalsContact C-N 3.31Å; S735-K737 PolarHBondContact OG-N 3.08Å; S735-T738 PolarHBondContact N-OG1 3.01Å; S735-T738 VanDerWaalsContact N-OG1 3.08Å; S735-T738 PolarHBondContact O-OG1 3.01Å; S735-T738 PolarHBondContact OG-N 3.19Å; S735-T738 PolarHBondContact OG-OG1 2.82Å; S735-L739 VanDerWaalsContact O-CB 3.25Å; S735-L739 WeakPolarHBondContact O-CB 3.45Å; S735-L739 PolarHBondContact O-N 3.25Å; S735-L739 VanDerWaalsContact O-N 3.09Å
736	N	87.7	Confident	89.1	Confident	5 Å²	5	49.3 Å²	49.3	3%	0.027	26%	0.261	C	S	.	.	H	α-helix	trans	-60.1	-41.5	172.9	60.5	-21.1	0	0	0	111.3	G647 L649 L739 A740 Y785	G647-N736 CarbonylContact O-C 3.51Å; G647-N736 WeakPolarHBondContact O-CB 3.42Å; G647-N736 PolarHBondContact O-ND2 3.49Å; G647-N736 VanDerWaalsContact O-ND2 3.17Å; L649-N736 HydrophobicContact CD1-CB 4.18Å; L649-N736 HydrophobicContact CG-CB 4.49Å; N736-L739 PolarHBondContact O-N 3.49Å; N736-A740 WeakPolarHBondContact O-CB 3.46Å; N736-A740 PolarHBondContact O-N 2.75Å; N736-Y785 HydrophobicContact CB-CD1 4.38Å; N736-Y785 HydrophobicContact CB-CD2 4.05Å; N736-Y785 HydrophobicContact CB-CE1 4.06Å; N736-Y785 HydrophobicContact CB-CE2 3.72Å; N736-Y785 HydrophobicContact CB-CG 4.37Å; N736-Y785 PolarHBondContact N-OH 3.39Å; N736-Y785 PolarHBondContact ND2-O 3.2Å
737	K	88.3	Confident	89.2	Confident	65 Å²	65	50.3 Å²	50.3	28%	0.283	26%	0.261	S	S	.	.	H	α-helix	trans	-64.3	-49.8	178.4	-176.7	56.9	178.8	157.7	0	112.9	D644 G645 S735 L739 A740 D741	D644-K737 PolarHBondContact O-NZ 3.21Å; G645-K737 WeakPolarHBondContact O-CE 3.48Å; S735-K737 VanDerWaalsContact C-N 3.31Å; S735-K737 PolarHBondContact OG-N 3.08Å; K737-L739 PolarHBondContact O-N 3.42Å; K737-A740 PolarHBondContact O-N 2.88Å; K737-D741 VanDerWaalsContact CE-OD1 3.26Å; K737-D741 WeakPolarHBondContact CE-OD1 3.5Å; K737-D741 VanDerWaalsContact CE-OD2 3.27Å; K737-D741 WeakPolarHBondContact CE-OD2 3.46Å; K737-D741 IonicContact NZ-OD1 3.09Å; K737-D741 PolarHBondContact NZ-OD1 3.1Å; K737-D741 IonicContact NZ-OD2 3.92Å; K737-D741 VanDerWaalsContact O-CG 3.28Å; K737-D741 PolarHBondContact O-N 3.23Å
738	T	91	Very high	89.2	Confident	36 Å²	36	48.1 Å²	48.1	22%	0.221	25%	0.253	C	S	.	.	H	α-helix	trans	-63.6	-32.5	178.5	59.9	0	0	0	0	111.6	D732 S735 S742	D732-T738 CarbonylContact O-C 3.53Å; D732-T738 PolarHBondContact O-OG1 3.2Å; D732-T738 WeakPolarHBondContact OD2-CB 3.42Å; S735-T738 PolarHBondContact N-OG1 3.01Å; S735-T738 VanDerWaalsContact N-OG1 3.08Å; S735-T738 PolarHBondContact O-OG1 3.01Å; S735-T738 PolarHBondContact OG-N 3.19Å; S735-T738 PolarHBondContact OG-OG1 2.82Å; T738-S742 VanDerWaalsContact O-CB 3.23Å; T738-S742 WeakPolarHBondContact O-CB 3.43Å; T738-S742 PolarHBondContact O-N 3.32Å; T738-S742 PolarHBondContact O-OG 3.28Å
739	L	91	Very high	89	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-68.9	-46.1	176	-179.3	60.9	0	0	0	111.5	L649 F717 I731 D732 T733 S735 N736 K737 S742 L743 M766	L649-L739 HydrophobicContact CD1-CD2 4.15Å; L649-L739 HydrophobicContact CD2-CB 4.15Å; L649-L739 HydrophobicContact CD2-CD2 4.07Å; L649-L739 HydrophobicContact CD2-CG 3.94Å; F717-L739 HydrophobicContact CE1-CD2 4.21Å; F717-L739 HydrophobicContact CZ-CD2 4.28Å; I731-L739 HydrophobicContact CG2-CD1 3.55Å; D732-L739 WeakPolarHBondContact O-CA 3Å; D732-L739 WeakPolarHBondContact O-CB 3.4Å; D732-L739 PolarHBondContact O-N 2.87Å; D732-L739 VanDerWaalsContact O-N 3.07Å; T733-L739 HydrophobicContact CG2-CD1 4.18Å; S735-L739 VanDerWaalsContact O-CB 3.25Å; S735-L739 WeakPolarHBondContact O-CB 3.45Å; S735-L739 PolarHBondContact O-N 3.25Å; S735-L739 VanDerWaalsContact O-N 3.09Å; N736-L739 PolarHBondContact O-N 3.49Å; K737-L739 PolarHBondContact O-N 3.42Å; L739-S742 PolarHBondContact O-N 3.16Å; L739-S742 PolarHBondContact O-OG 3.47Å; L739-S742 VanDerWaalsContact O-OG 3.12Å; L739-L743 HydrophobicContact CD1-CD1 3.88Å; L739-L743 HydrophobicContact CD1-CG 4.08Å; L739-L743 HydrophobicContact CG-CD1 3.88Å; L739-L743 HydrophobicContact CG-CG 4.49Å; L739-L743 WeakPolarHBondContact O-CB 3.49Å; L739-L743 VanDerWaalsContact O-CG 3.25Å; L739-L743 WeakPolarHBondContact O-CG 3.43Å; L739-L743 PolarHBondContact O-N 3.04Å; L739-M766 HydrophobicContact CD2-CE 3.28Å
740	A	89.1	Confident	88.6	Confident	7 Å²	7	57.2 Å²	57.2	6%	0.058	29%	0.287	C	S	.	.	H	α-helix	trans	-56.9	-54.6	175.1	0	0	0	0	0	110.5	A648 L649 N736 K737 S742 L743 D744	A648-A740 WeakPolarHBondContact O-CB 3.34Å; L649-A740 HydrophobicContact CD2-CB 3.77Å; N736-A740 WeakPolarHBondContact O-CB 3.46Å; N736-A740 PolarHBondContact O-N 2.75Å; K737-A740 PolarHBondContact O-N 2.88Å; A740-S742 VanDerWaalsContact C-N 3.33Å; A740-S742 PolarHBondContact O-N 3.47Å; A740-L743 PolarHBondContact O-N 3.47Å; A740-L743 VanDerWaalsContact O-N 3.15Å; A740-D744 VanDerWaalsContact O-CG 3.29Å; A740-D744 PolarHBondContact O-N 2.91Å
741	D	89.6	Confident	88.2	Confident	59 Å²	59	50.1 Å²	50.1	32%	0.316	26%	0.257	S	S	.	.	H	α-helix	trans	-60.9	-41.2	-177.8	-64.6	-20.9	0	0	0	111.8	K737 D744 N745	K737-D741 VanDerWaalsContact CE-OD1 3.26Å; K737-D741 WeakPolarHBondContact CE-OD1 3.5Å; K737-D741 VanDerWaalsContact CE-OD2 3.27Å; K737-D741 WeakPolarHBondContact CE-OD2 3.46Å; K737-D741 IonicContact NZ-OD1 3.09Å; K737-D741 PolarHBondContact NZ-OD1 3.1Å; K737-D741 IonicContact NZ-OD2 3.92Å; K737-D741 VanDerWaalsContact O-CG 3.28Å; K737-D741 PolarHBondContact O-N 3.23Å; D741-D744 PolarHBondContact O-N 3.13Å; D741-N745 WeakPolarHBondContact O-CB 3.34Å; D741-N745 VanDerWaalsContact O-CG 3.23Å; D741-N745 PolarHBondContact O-N 2.86Å; D741-N745 PolarHBondContact O-ND2 2.87Å
742	S	93.1	Very high	87.6	Confident	14 Å²	14	52.8 Å²	52.8	10%	0.098	28%	0.275	C	S	.	.	H	α-helix	trans	-71	-33.7	178.7	61.5	0	0	0	0	113.2	F730 D732 T738 L739 A740 A746	F730-S742 WeakPolarHBondContact O-CB 3.49Å; D732-S742 PolarHBondContact N-OG 3.04Å; T738-S742 VanDerWaalsContact O-CB 3.23Å; T738-S742 WeakPolarHBondContact O-CB 3.43Å; T738-S742 PolarHBondContact O-N 3.32Å; T738-S742 PolarHBondContact O-OG 3.28Å; L739-S742 PolarHBondContact O-N 3.16Å; L739-S742 PolarHBondContact O-OG 3.47Å; L739-S742 VanDerWaalsContact O-OG 3.12Å; A740-S742 VanDerWaalsContact C-N 3.33Å; A740-S742 PolarHBondContact O-N 3.47Å; S742-A746 WeakPolarHBondContact O-CB 3.34Å; S742-A746 PolarHBondContact O-N 2.89Å
743	L	91	Very high	87.4	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.016	28%	0.277	C	S	.	.	H	α-helix	trans	-69.4	-39.4	173.1	-74.9	168.9	0	0	0	112	L651 I731 L739 A740 N745 A746 N755 L758 A762	L651-L743 HydrophobicContact CD2-CD1 3.95Å; I731-L743 HydrophobicContact CD1-CD2 3.92Å; I731-L743 HydrophobicContact CD1-CG 4.36Å; L739-L743 HydrophobicContact CD1-CD1 3.88Å; L739-L743 HydrophobicContact CD1-CG 4.08Å; L739-L743 HydrophobicContact CG-CD1 3.88Å; L739-L743 HydrophobicContact CG-CG 4.49Å; L739-L743 WeakPolarHBondContact O-CB 3.49Å; L739-L743 VanDerWaalsContact O-CG 3.25Å; L739-L743 WeakPolarHBondContact O-CG 3.43Å; L739-L743 PolarHBondContact O-N 3.04Å; A740-L743 PolarHBondContact O-N 3.47Å; A740-L743 VanDerWaalsContact O-N 3.15Å; L743-N745 VanDerWaalsContact C-N 3.34Å; L743-A746 PolarHBondContact O-N 3.36Å; L743-N755 PolarHBondContact O-ND2 2.7Å; L743-L758 HydrophobicContact CD2-CB 4.3Å; L743-A762 HydrophobicContact CD1-CB 4.07Å; L743-A762 HydrophobicContact CD2-CB 4.42Å
744	D	88.9	Confident	87.2	Confident	81 Å²	81	52.9 Å²	52.9	43%	0.433	28%	0.275	S	S	.	.	H	α-helix	trans	-68.4	-36	178.5	-68.1	-18.6	0	0	0	111.9	A740 D741 A746 R759	A740-D744 VanDerWaalsContact O-CG 3.29Å; A740-D744 PolarHBondContact O-N 2.91Å; D741-D744 PolarHBondContact O-N 3.13Å; D744-A746 VanDerWaalsContact C-N 3.27Å; D744-A746 PolarHBondContact O-N 3.4Å; D744-R759 IonicContact OD1-CZ 3.05Å; D744-R759 IonicContact OD1-NH2 3.33Å; D744-R759 PolarHBondContact OD1-NH2 3.18Å
745	N	89.6	Confident	87.3	Confident	128 Å²	128	44.6 Å²	44.6	68%	0.684	24%	0.244	S	C	*	.	H	α-helix	trans	-72.8	-17.8	173.3	-71.8	-46.9	0	0	0	113.3	D741 L743 N747	D741-N745 WeakPolarHBondContact O-CB 3.34Å; D741-N745 VanDerWaalsContact O-CG 3.23Å; D741-N745 PolarHBondContact O-N 2.86Å; D741-N745 PolarHBondContact O-ND2 2.87Å; L743-N745 VanDerWaalsContact C-N 3.34Å; N745-N747 PolarHBondContact O-N 3.21Å
746	A	89.1	Confident	87.2	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.008	26%	0.258	C	S	.	.			trans	-82.7	55.8	179	0	0	0	0	0	112.2	F729 I731 S742 L743 D744 N755 L758	F729-A746 HydrophobicContact CB-CB 4Å; F729-A746 HydrophobicContact CD1-CB 4.03Å; F729-A746 HydrophobicContact CD2-CB 4.23Å; F729-A746 HydrophobicContact CG-CB 3.83Å; I731-A746 HydrophobicContact CD1-CB 3.98Å; S742-A746 WeakPolarHBondContact O-CB 3.34Å; S742-A746 PolarHBondContact O-N 2.89Å; L743-A746 PolarHBondContact O-N 3.36Å; D744-A746 VanDerWaalsContact C-N 3.27Å; D744-A746 PolarHBondContact O-N 3.4Å; A746-N755 PolarHBondContact O-ND2 3.45Å; A746-L758 HydrophobicContact CB-CD1 3.84Å
747	N	85.9	Confident	87.1	Confident	65 Å²	65	49 Å²	49	35%	0.348	26%	0.257	S	S	.	.			trans	-110.3	117.3	-179.6	-170.3	18	0	0	0	110.5	N745 P749	N745-N747 PolarHBondContact O-N 3.21Å; N747-P749 WeakPolarHBondContact O-CD 3.38Å
748	D	86.1	Confident	87.1	Confident	27 Å²	27	45.9 Å²	45.9	14%	0.144	24%	0.243	C	C	.	.			trans	-90.7	114.2	174.6	-171.5	-20.6	0	0	0	109.3	F729 H750 D751 V754	F729-D748 HydrophobicContact CE2-CB 4.35Å; F729-D748 HydrophobicContact CZ-CB 4.13Å; D748-H750 PolarHBondContact O-N 3.37Å; D748-H750 VanDerWaalsContact O-N 3.13Å; D748-H750 IonicContact OD1-CG 2.84Å; D748-H750 PolarHBondContact OD1-N 3.26Å; D748-H750 IonicContact OD1-ND1 3.74Å; D748-D751 CarbonylContact O-C 3.35Å; D748-D751 PolarHBondContact O-N 2.9Å; D748-V754 HydrophobicContact CB-CB 4.36Å; D748-V754 HydrophobicContact CB-CG2 4.29Å
749	P	83.5	Confident	87	Confident	120 Å²	120	46.5 Å²	46.5	78%	0.779	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.1	-180	-22.9	34	0	0	0	114.2	N747	N747-P749 WeakPolarHBondContact O-CD 3.38Å
750	H	83.2	Confident	86.7	Confident	179 Å²	179	47.3 Å²	47.3	83%	0.829	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-21.7	-179.1	-58.4	84.3	0	0	0	112.6	D748	D748-H750 PolarHBondContact O-N 3.37Å; D748-H750 VanDerWaalsContact O-N 3.13Å; D748-H750 IonicContact OD1-CG 2.84Å; D748-H750 PolarHBondContact OD1-N 3.26Å; D748-H750 IonicContact OD1-ND1 3.74Å
751	D	82.9	Confident	86.6	Confident	15 Å²	15	47.5 Å²	47.5	8%	0.08	25%	0.247	C	C	.	.			trans	-146.2	98	179.8	-179.5	14.1	0	0	0	112.3	D748 I753 V754 H950	D748-D751 CarbonylContact O-C 3.35Å; D748-D751 PolarHBondContact O-N 2.9Å; D751-I753 PolarHBondContact O-N 2.93Å; D751-I753 VanDerWaalsContact OD1-CB 3.25Å; D751-I753 WeakPolarHBondContact OD1-CB 3.48Å; D751-I753 PolarHBondContact OD1-N 3.22Å; D751-V754 HydrophobicContact CB-CG2 4.02Å; D751-V754 PolarHBondContact O-N 3.15Å; D751-V754 WeakPolarHBondContact OD2-CG2 3.36Å; D751-H950 IonicContact OD1-NE2 3.9Å; D751-H950 IonicContact OD2-CE1 2.78Å; D751-H950 IonicContact OD2-NE2 2.68Å; D751-H950 PolarHBondContact OD2-NE2 3.27Å
752	P	80.4	Confident	86.6	Confident	62 Å²	62	44.7 Å²	44.7	40%	0.403	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-11.2	178.9	28.9	-34.7	0	0	0	113.5	V754	P752-V754 VanDerWaalsContact C-N 3.31Å
753	I	83.3	Confident	86.4	Confident	30 Å²	30	46.8 Å²	46.8	15%	0.154	24%	0.244	C	C	.	.	H	α-helix	trans	-72.5	-28.6	178.1	-63.9	158	0	0	0	110.8	D751 N755 R756 L757 V879 P893	D751-I753 PolarHBondContact O-N 2.93Å; D751-I753 VanDerWaalsContact OD1-CB 3.25Å; D751-I753 WeakPolarHBondContact OD1-CB 3.48Å; D751-I753 PolarHBondContact OD1-N 3.22Å; I753-N755 PolarHBondContact O-N 3.31Å; I753-R756 PolarHBondContact O-N 2.9Å; I753-L757 WeakPolarHBondContact O-CB 3.45Å; I753-L757 PolarHBondContact O-N 2.84Å; I753-V879 HydrophobicContact CD1-CG2 4.48Å; I753-V879 HydrophobicContact CG2-CG2 3.96Å; I753-P893 HydrophobicContact CD1-CG 3.99Å; I753-P893 HydrophobicContact CG1-CG 4.37Å; I753-P893 HydrophobicContact CG2-CG 4.02Å
754	V	85.4	Confident	86.1	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-53.7	-51.6	177.7	177.7	0	0	0	0	111	F729 D748 D751 P752 R756 L757 L758 F948	F729-V754 HydrophobicContact CE2-CG1 4.17Å; D748-V754 HydrophobicContact CB-CB 4.36Å; D748-V754 HydrophobicContact CB-CG2 4.29Å; D751-V754 HydrophobicContact CB-CG2 4.02Å; D751-V754 PolarHBondContact O-N 3.15Å; D751-V754 WeakPolarHBondContact OD2-CG2 3.36Å; P752-V754 VanDerWaalsContact C-N 3.31Å; V754-R756 PolarHBondContact O-N 3.44Å; V754-L757 PolarHBondContact O-N 3.12Å; V754-L758 HydrophobicContact CG1-CD1 4.09Å; V754-L758 HydrophobicContact CG1-CG 4.41Å; V754-L758 WeakPolarHBondContact O-CG 3.48Å; V754-L758 PolarHBondContact O-N 3.31Å; V754-F948 HydrophobicContact CB-CD1 4.39Å; V754-F948 HydrophobicContact CB-CE1 4.43Å; V754-F948 HydrophobicContact CG1-CD1 4.15Å; V754-F948 HydrophobicContact CG1-CE1 3.85Å; V754-F948 HydrophobicContact CG1-CZ 4.27Å; V754-F948 HydrophobicContact CG2-CD1 3.94Å; V754-F948 HydrophobicContact CG2-CE1 4.45Å; V754-F948 HydrophobicContact CG2-CG 4.41Å
755	N	87.1	Confident	86	Confident	13 Å²	13	48.7 Å²	48.7	7%	0.07	25%	0.251	C	S	.	.	H	α-helix	trans	-62.5	-43.7	-178.4	-174.6	-94.6	0	0	0	111.9	L743 A746 I753 L757 L758 R759	L743-N755 PolarHBondContact O-ND2 2.7Å; A746-N755 PolarHBondContact O-ND2 3.45Å; I753-N755 PolarHBondContact O-N 3.31Å; N755-L757 VanDerWaalsContact C-N 3.29Å; N755-L757 PolarHBondContact O-N 3.3Å; N755-L758 PolarHBondContact O-N 3.23Å; N755-R759 WeakPolarHBondContact O-CG 3.38Å; N755-R759 PolarHBondContact O-N 3.38Å; N755-R759 WeakPolarHBondContact OD1-CD 3.19Å; N755-R759 VanDerWaalsContact OD1-CZ 3.27Å; N755-R759 PolarHBondContact OD1-NE 2.88Å; N755-R759 PolarHBondContact OD1-NH1 2.81Å
756	R	84.1	Confident	85.9	Confident	123 Å²	123	43.7 Å²	43.7	46%	0.464	22%	0.224	S	C	.	.	H	α-helix	trans	-60.2	-40.2	176.6	-65.6	179.4	178.7	-179.8	-1.5	111.8	I753 V754 S760	I753-R756 PolarHBondContact O-N 2.9Å; V754-R756 PolarHBondContact O-N 3.44Å; R756-S760 WeakPolarHBondContact O-CB 3.33Å; R756-S760 PolarHBondContact O-N 3.05Å
757	L	85.5	Confident	85.8	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-68.2	-43.8	177.9	-179.3	59.5	0	0	0	111.6	I753 V754 N755 S760 M761 V879 Y881 F891 F948	I753-L757 WeakPolarHBondContact O-CB 3.45Å; I753-L757 PolarHBondContact O-N 2.84Å; V754-L757 PolarHBondContact O-N 3.12Å; N755-L757 VanDerWaalsContact C-N 3.29Å; N755-L757 PolarHBondContact O-N 3.3Å; L757-S760 WeakPolarHBondContact O-CB 3.42Å; L757-S760 PolarHBondContact O-N 3.45Å; L757-M761 HydrophobicContact CG-SD 4.49Å; L757-M761 WeakPolarHBondContact O-CG 3.36Å; L757-M761 PolarHBondContact O-N 3.18Å; L757-V879 HydrophobicContact CD2-CG1 4.25Å; L757-Y881 HydrophobicContact CD1-CG 4.07Å; L757-F891 HydrophobicContact CD1-CB 4.33Å; L757-F891 HydrophobicContact CD1-CD1 4.29Å; L757-F891 HydrophobicContact CD1-CG 4.43Å; L757-F948 HydrophobicContact CD2-CD1 3.76Å; L757-F948 HydrophobicContact CD2-CE1 3.51Å; L757-F948 HydrophobicContact CG-CE1 4.29Å
758	L	88.8	Confident	85.9	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.6	-45.1	174.6	-68.2	176.8	0	0	0	111.5	L720 C723 A724 F729 L743 A746 V754 N755 S760 M761 A762 F948	L720-L758 HydrophobicContact CD1-CB 4.1Å; L720-L758 HydrophobicContact CD1-CD2 3.73Å; L720-L758 VanDerWaalsContact CD1-O 3.27Å; L720-L758 WeakPolarHBondContact CD1-O 3.3Å; C723-L758 HydrophobicContact CB-CD2 4.45Å; A724-L758 HydrophobicContact CB-CD1 4.49Å; A724-L758 HydrophobicContact CB-CD2 4.12Å; F729-L758 HydrophobicContact CD2-CD1 4.44Å; L743-L758 HydrophobicContact CD2-CB 4.3Å; A746-L758 HydrophobicContact CB-CD1 3.84Å; V754-L758 HydrophobicContact CG1-CD1 4.09Å; V754-L758 HydrophobicContact CG1-CG 4.41Å; V754-L758 WeakPolarHBondContact O-CG 3.48Å; V754-L758 PolarHBondContact O-N 3.31Å; N755-L758 PolarHBondContact O-N 3.23Å; L758-S760 VanDerWaalsContact C-N 3.34Å; L758-S760 PolarHBondContact O-N 3.49Å; L758-M761 PolarHBondContact O-N 2.78Å; L758-A762 WeakPolarHBondContact O-CB 3.29Å; L758-A762 PolarHBondContact O-N 3.02Å; L758-F948 HydrophobicContact CD2-CZ 4.14Å
759	R	89	Confident	86.1	Confident	49 Å²	49	46.7 Å²	46.7	19%	0.185	25%	0.245	C	C	.	.	H	α-helix	trans	-62	-40.3	174	-73.4	-179.6	174.5	167.8	-3	112.1	E650 D744 N755 M761 A762 T763	E650-R759 WeakPolarHBondContact O-CD 3.37Å; D744-R759 IonicContact OD1-CZ 3.05Å; D744-R759 IonicContact OD1-NH2 3.33Å; D744-R759 PolarHBondContact OD1-NH2 3.18Å; N755-R759 WeakPolarHBondContact O-CG 3.38Å; N755-R759 PolarHBondContact O-N 3.38Å; N755-R759 WeakPolarHBondContact OD1-CD 3.19Å; N755-R759 VanDerWaalsContact OD1-CZ 3.27Å; N755-R759 PolarHBondContact OD1-NE 2.88Å; N755-R759 PolarHBondContact OD1-NH1 2.81Å; R759-M761 PolarHBondContact O-N 3.46Å; R759-A762 PolarHBondContact O-N 3.44Å; R759-T763 PolarHBondContact O-N 3.13Å; R759-T763 PolarHBondContact O-OG1 3.1Å
760	S	85.8	Confident	86.6	Confident	18 Å²	18	43.7 Å²	43.7	13%	0.126	22%	0.222	C	C	.	.	H	α-helix	trans	-63.6	-40.3	174.7	-171.1	0	0	0	0	112.6	R756 L757 L758 T763 Q764 K898	R756-S760 WeakPolarHBondContact O-CB 3.33Å; R756-S760 PolarHBondContact O-N 3.05Å; L757-S760 WeakPolarHBondContact O-CB 3.42Å; L757-S760 PolarHBondContact O-N 3.45Å; L758-S760 VanDerWaalsContact C-N 3.34Å; L758-S760 PolarHBondContact O-N 3.49Å; S760-T763 WeakPolarHBondContact O-CB 3.44Å; S760-T763 PolarHBondContact O-N 2.83Å; S760-Q764 WeakPolarHBondContact O-CG 3.37Å; S760-Q764 PolarHBondContact O-N 3.26Å; S760-Q764 VanDerWaalsContact O-N 3.14Å; S760-K898 PolarHBondContact OG-NZ 2.63Å
761	M	86.5	Confident	87.3	Confident	10 Å²	10	35.6 Å²	35.6	5%	0.049	18%	0.184	C	C	.	.	H	α-helix	trans	-67.8	-40.4	174.7	-72.4	177.6	74	0	0	111.7	E719 L720 C723 L757 L758 R759 T763 Q764 A765	E719-M761 HydrophobicContact CB-CE 4.22Å; E719-M761 HydrophobicContact CG-CE 3.75Å; L720-M761 HydrophobicContact CD1-CB 3.7Å; C723-M761 HydrophobicContact CB-CE 4.15Å; C723-M761 HydrophobicContact CB-SD 4.32Å; L757-M761 HydrophobicContact CG-SD 4.49Å; L757-M761 WeakPolarHBondContact O-CG 3.36Å; L757-M761 PolarHBondContact O-N 3.18Å; L758-M761 PolarHBondContact O-N 2.78Å; R759-M761 PolarHBondContact O-N 3.46Å; M761-T763 VanDerWaalsContact C-N 3.33Å; M761-T763 PolarHBondContact O-N 3.18Å; M761-Q764 PolarHBondContact O-N 3.05Å; M761-A765 PolarHBondContact O-N 3.3Å
762	A	90.3	Very high	87.9	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.8	-44.2	173.3	0	0	0	0	0	111	L651 L720 L743 L758 R759 Q764 A765 M766	L651-A762 HydrophobicContact CD2-CB 3.87Å; L720-A762 HydrophobicContact CD2-CB 3.86Å; L743-A762 HydrophobicContact CD1-CB 4.07Å; L743-A762 HydrophobicContact CD2-CB 4.42Å; L758-A762 WeakPolarHBondContact O-CB 3.29Å; L758-A762 PolarHBondContact O-N 3.02Å; R759-A762 PolarHBondContact O-N 3.44Å; A762-Q764 VanDerWaalsContact C-N 3.28Å; A762-Q764 PolarHBondContact O-N 2.96Å; A762-A765 PolarHBondContact O-N 2.98Å; A762-A765 VanDerWaalsContact O-N 3.09Å; A762-M766 WeakPolarHBondContact O-CG 3.42Å; A762-M766 PolarHBondContact O-N 3.11Å; A762-M766 VanDerWaalsContact O-N 3.12Å
763	T	88.3	Confident	88.6	Confident	59 Å²	59	32.3 Å²	32.3	36%	0.362	16%	0.163	S	C	.	.	H	α-helix	trans	-56.1	-42.4	174.4	-48.1	0	0	0	0	111.9	L651 R759 S760 M761 A765 M766	L651-T763 WeakPolarHBondContact CB-OG1 3.42Å; R759-T763 PolarHBondContact O-N 3.13Å; R759-T763 PolarHBondContact O-OG1 3.1Å; S760-T763 WeakPolarHBondContact O-CB 3.44Å; S760-T763 PolarHBondContact O-N 2.83Å; M761-T763 VanDerWaalsContact C-N 3.33Å; M761-T763 PolarHBondContact O-N 3.18Å; T763-A765 VanDerWaalsContact C-N 3.31Å; T763-A765 PolarHBondContact O-N 2.98Å; T763-M766 WeakPolarHBondContact O-CB 3.5Å; T763-M766 PolarHBondContact O-N 3.3Å
764	Q	84.8	Confident	89.1	Confident	120 Å²	120	31.1 Å²	31.1	56%	0.561	16%	0.157	S	C	*	.	H	α-helix	trans	-70	-27.6	179.3	-71.4	178.2	-26.4	0	0	113.1	S760 M761 A762 K898	S760-Q764 WeakPolarHBondContact O-CG 3.37Å; S760-Q764 PolarHBondContact O-N 3.26Å; S760-Q764 VanDerWaalsContact O-N 3.14Å; M761-Q764 PolarHBondContact O-N 3.05Å; A762-Q764 VanDerWaalsContact C-N 3.28Å; A762-Q764 PolarHBondContact O-N 2.96Å; Q764-K898 VanDerWaalsContact NE2-NZ 3.19Å
765	A	86.7	Confident	89.3	Confident	4 Å²	4	32.3 Å²	32.3	3%	0.033	17%	0.169	C	C	.	.	H	α-helix	trans	-82.4	-14.1	176.6	0	0	0	0	0	113.3	F716 F717 M761 A762 T763	F716-A765 HydrophobicContact CB-CB 3.89Å; F716-A765 WeakPolarHBondContact O-CB 3.18Å; F717-A765 HydrophobicContact CD1-CB 3.63Å; F717-A765 HydrophobicContact CD2-CB 4.38Å; F717-A765 HydrophobicContact CE1-CB 3.6Å; F717-A765 HydrophobicContact CE2-CB 4.34Å; F717-A765 HydrophobicContact CG-CB 4.05Å; F717-A765 HydrophobicContact CZ-CB 3.97Å; M761-A765 PolarHBondContact O-N 3.3Å; A762-A765 PolarHBondContact O-N 2.98Å; A762-A765 VanDerWaalsContact O-N 3.09Å; T763-A765 VanDerWaalsContact C-N 3.31Å; T763-A765 PolarHBondContact O-N 2.98Å
766	M	87.4	Confident	89.4	Confident	23 Å²	23	34.2 Å²	34.2	11%	0.113	18%	0.184	C	C	.	.	S	Bend	trans	-66.2	150.9	179	-71.5	-60.9	151.3	0	0	112.7	L649 L651 P712 F717 L739 A762 T763 Y785	L649-M766 HydrophobicContact CD1-CE 4.02Å; L651-M766 HydrophobicContact CD1-CE 3.92Å; L651-M766 HydrophobicContact CD1-CG 3.79Å; L651-M766 HydrophobicContact CD1-SD 4.4Å; P712-M766 HydrophobicContact CB-SD 3.92Å; P712-M766 HydrophobicContact CG-CE 4.38Å; P712-M766 HydrophobicContact CG-SD 3.82Å; F717-M766 HydrophobicContact CE1-CE 3.83Å; F717-M766 HydrophobicContact CZ-CE 3.51Å; F717-M766 HydrophobicContact CZ-SD 4.17Å; L739-M766 HydrophobicContact CD2-CE 3.28Å; A762-M766 WeakPolarHBondContact O-CG 3.42Å; A762-M766 PolarHBondContact O-N 3.11Å; A762-M766 VanDerWaalsContact O-N 3.12Å; T763-M766 WeakPolarHBondContact O-CB 3.5Å; T763-M766 PolarHBondContact O-N 3.3Å; M766-Y785 HydrophobicContact CE-CE1 4.07Å; M766-Y785 HydrophobicContact SD-CD1 4.07Å; M766-Y785 HydrophobicContact SD-CE1 3.8Å
767	S	86.3	Confident	89.4	Confident	23 Å²	23	29.9 Å²	29.9	16%	0.161	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-68	155.9	166.2	-72.9	0	0	0	0	110.5	H709 P710 P711 P712	H709-S767 PolarHBondContact CD2-O 2.83Å; H709-S767 PolarHBondContact NE2-O 2.95Å; P710-S767 WeakPolarHBondContact O-CB 3.13Å; P711-S767 PolarHBondContact O-OG 2.77Å; P711-S767 VanDerWaalsContact O-OG 3.08Å; P712-S767 WeakPolarHBondContact CA-OG 3.42Å
768	N	87.9	Confident	89.5	Confident	110 Å²	110	32.4 Å²	32.4	59%	0.588	19%	0.192	S	C	*	.	P	Polyproline II helix	trans	-78.1	136.7	172.7	-68.4	-52.7	0	0	0	110.1
769	A	91.3	Very high	89.5	Confident	22 Å²	22	38.2 Å²	38.2	18%	0.182	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-71.9	143	168.3	0	0	0	0	0	111.2	Q708 H709	Q708-A769 CarbonylContact O-C 3.57Å; Q708-A769 VanDerWaalsContact O-CA 3.27Å; Q708-A769 WeakPolarHBondContact O-CA 3.49Å; Q708-A769 WeakPolarHBondContact O-CB 3.23Å; H709-A769 HydrophobicContact CB-CB 4.02Å
770	L	94.7	Very high	89.3	Confident	57 Å²	57	44.7 Å²	44.7	30%	0.298	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	138.8	-169.4	-62.3	167.7	0	0	0	111.1	R707 Q708 N841	R707-L770 CarbonylContact C-O 3.52Å; R707-L770 WeakPolarHBondContact CA-O 3.46Å; Q708-L770 PolarHBondContact N-O 3.31Å; Q708-L770 PolarHBondContact O-N 3.27Å; L770-N841 WeakPolarHBondContact CA-OD1 3.31Å; L770-N841 HydrophobicContact CD2-CB 4.37Å
771	Y	97.1	Very high	89.3	Confident	9 Å²	9	48.8 Å²	48.8	4%	0.035	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	142.7	164.7	-60.4	-77.7	0	0	0	110.3	L705 L706 R707 H794 S803 I840 N841	L705-Y771 HydrophobicContact CD2-CD1 3.78Å; L705-Y771 HydrophobicContact CD2-CE1 4.41Å; L706-Y771 CarbonylContact O-C 3.55Å; L706-Y771 VanDerWaalsContact O-CA 3.3Å; L706-Y771 WeakPolarHBondContact O-CA 3.35Å; R707-Y771 HydrophobicContact CB-CD1 3.97Å; R707-Y771 HydrophobicContact CB-CE1 4.23Å; R707-Y771 HydrophobicContact CG-CD1 4.17Å; R707-Y771 HydrophobicContact CG-CE1 4.3Å; Y771-H794 HydrophobicContact CE1-CB 4.24Å; Y771-H794 AromaticContact CE1-ND1 3.65Å; Y771-H794 AromaticContact CZ-ND1 3.49Å; Y771-H794 PolarHBondContact OH-ND1 2.8Å; Y771-S803 PolarHBondContact OH-OG 2.84Å; Y771-S803 VanDerWaalsContact OH-OG 3.14Å; Y771-I840 HydrophobicContact CD2-CB 4.2Å; Y771-I840 HydrophobicContact CD2-CG2 3.42Å; Y771-I840 VanDerWaalsContact CD2-CG2 3.42Å; Y771-I840 HydrophobicContact CE2-CG2 3.38Å; Y771-I840 HydrophobicContact CG-CG2 4.25Å; Y771-N841 VanDerWaalsContact CD2-OD1 3.3Å; Y771-N841 WeakPolarHBondContact CD2-OD1 3.37Å; Y771-N841 PolarHBondContact N-ND2 3.14Å; Y771-N841 PolarHBondContact N-OD1 3.5Å; Y771-N841 PolarHBondContact O-ND2 3.29Å
772	F	95.8	Very high	89.5	Confident	9 Å²	9	48.5 Å²	48.5	4%	0.039	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	160.7	179	73.5	-75.6	0	0	0	111.2	L706 Q708 T774 C777 F782 C837	L706-F772 HydrophobicContact CB-CD1 4.14Å; L706-F772 HydrophobicContact CB-CE1 3.41Å; L706-F772 VanDerWaalsContact CB-CE1 3.41Å; L706-F772 HydrophobicContact CB-CE2 4.33Å; L706-F772 HydrophobicContact CB-CZ 3.53Å; L706-F772 HydrophobicContact CD1-CZ 4.05Å; L706-F772 HydrophobicContact CG-CZ 4.36Å; L706-F772 PolarHBondContact N-O 3.17Å; L706-F772 VanDerWaalsContact N-O 3.09Å; L706-F772 WeakPolarHBondContact O-CD1 3.46Å; L706-F772 PolarHBondContact O-N 3.36Å; Q708-F772 HydrophobicContact CB-CD1 3.87Å; Q708-F772 HydrophobicContact CB-CE1 3.56Å; Q708-F772 HydrophobicContact CB-CZ 4.39Å; Q708-F772 HydrophobicContact CG-CD1 3.64Å; Q708-F772 HydrophobicContact CG-CE1 3.88Å; Q708-F772 HydrophobicContact CG-CG 4.37Å; F772-T774 HydrophobicContact CE2-CG2 4.36Å; F772-C777 HydrophobicContact CD2-CB 3.84Å; F772-C777 HydrophobicContact CE2-CB 4.1Å; F772-F782 AromaticContact CE2-CD1 3.32Å; F772-F782 HydrophobicContact CE2-CD1 3.32Å; F772-F782 AromaticContact CE2-CE1 3.45Å; F772-F782 HydrophobicContact CE2-CE1 3.45Å; F772-F782 VanDerWaalsContact CE2-CE1 3.45Å; F772-F782 HydrophobicContact CE2-CG 4.08Å; F772-F782 HydrophobicContact CE2-CZ 4.26Å; F772-F782 HydrophobicContact CZ-CB 4.06Å; F772-F782 AromaticContact CZ-CD1 3.44Å; F772-F782 HydrophobicContact CZ-CD1 3.44Å; F772-F782 VanDerWaalsContact CZ-CD1 3.44Å; F772-F782 HydrophobicContact CZ-CE1 4.03Å; F772-F782 AromaticContact CZ-CG 3.76Å; F772-F782 HydrophobicContact CZ-CG 3.76Å; F772-C837 VanDerWaalsContact C-SG 3.57Å
773	S	95.3	Very high	89.4	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	132.2	171.1	174	0	0	0	0	107.9	G775 S776 N830	S773-G775 PolarHBondContact O-N 3.01Å; S773-G775 VanDerWaalsContact O-N 3.08Å; S773-G775 PolarHBondContact OG-N 3.46Å; S773-S776 PolarHBondContact O-N 3.39Å; S773-S776 PolarHBondContact O-OG 2.85Å; S773-N830 PolarHBondContact OG-OD1 3.48Å
774	T	93.6	Very high	89.7	Confident	4 Å²	4	48.4 Å²	48.4	3%	0.025	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-21.8	178.1	55.6	0	0	0	0	113.4	P701 Q703 A704 L706 F772 S776 F782	P701-T774 VanDerWaalsContact C-OG1 3.31Å; P701-T774 WeakPolarHBondContact O-CB 3.47Å; P701-T774 PolarHBondContact O-OG1 3.4Å; Q703-T774 PolarHBondContact N-OG1 3.13Å; A704-T774 HydrophobicContact CB-CG2 3.77Å; A704-T774 PolarHBondContact N-OG1 2.87Å; A704-T774 VanDerWaalsContact N-OG1 3.14Å; A704-T774 PolarHBondContact O-N 3.48Å; L706-T774 HydrophobicContact CB-CG2 4.39Å; L706-T774 HydrophobicContact CD1-CG2 3.41Å; L706-T774 VanDerWaalsContact CD1-CG2 3.41Å; L706-T774 HydrophobicContact CG-CG2 3.62Å; F772-T774 HydrophobicContact CE2-CG2 4.36Å; T774-S776 VanDerWaalsContact C-N 3.34Å; T774-F782 HydrophobicContact CG2-CE2 3.84Å; T774-F782 HydrophobicContact CG2-CZ 3.84Å
775	G	89.8	Confident	90	Very high	26 Å²	26	43.2 Å²	43.2	27%	0.268	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-3.8	173.5	0	0	0	0	0	115	H702 S773 N830	H702-G775 WeakPolarHBondContact O-CA 3.47Å; H702-G775 PolarHBondContact O-N 2.77Å; S773-G775 PolarHBondContact O-N 3.01Å; S773-G775 VanDerWaalsContact O-N 3.08Å; S773-G775 PolarHBondContact OG-N 3.46Å; G775-N830 WeakPolarHBondContact CA-ND2 3.27Å; G775-N830 PolarHBondContact O-ND2 3.38Å
776	S	87.9	Confident	90.1	Very high	52 Å²	52	43.4 Å²	43.4	36%	0.364	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-11.3	178.2	65.4	0	0	0	0	114.1	S773 T774	S773-S776 PolarHBondContact O-N 3.39Å; S773-S776 PolarHBondContact O-OG 2.85Å; T774-S776 VanDerWaalsContact C-N 3.34Å
777	C	85	Confident	90.3	Very high	33 Å²	33	43.5 Å²	43.5	22%	0.223	24%	0.242	C	C	.	.	S	Bend	trans	-132.2	156.1	-175.4	-66.4	0	0	0	0	110.4	F772 E781 F782	F772-C777 HydrophobicContact CD2-CB 3.84Å; F772-C777 HydrophobicContact CE2-CB 4.1Å; C777-E781 HydrophobicContact CB-CB 4.44Å; C777-F782 HydrophobicContact CB-CE1 4.23Å
778	A	87.7	Confident	90.5	Very high	52 Å²	52	42.8 Å²	42.8	43%	0.43	24%	0.237	S	C	.	.			trans	-73.9	152.7	171.1	0	0	0	0	0	110.8	E780 E781 F782	A778-E780 PolarHBondContact O-N 2.74Å; A778-E781 WeakPolarHBondContact O-CB 3.32Å; A778-E781 PolarHBondContact O-N 3.03Å; A778-F782 VanDerWaalsContact O-CD1 3.23Å; A778-F782 WeakPolarHBondContact O-CD1 3.46Å; A778-F782 WeakPolarHBondContact O-CE1 3.48Å
779	E	87.4	Confident	90.7	Very high	122 Å²	122	38.4 Å²	38.4	57%	0.57	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-59.9	-31.9	-177.8	-65.7	-178	178.1	0	0	113	E781 F782	E779-E781 PolarHBondContact O-N 3.29Å; E779-E781 VanDerWaalsContact O-N 3.14Å; E779-F782 HydrophobicContact CB-CE2 4.32Å; E779-F782 HydrophobicContact CB-CZ 4.4Å; E779-F782 HydrophobicContact CG-CE2 3.99Å; E779-F782 HydrophobicContact CG-CZ 3.98Å; E779-F782 WeakPolarHBondContact O-CB 3.45Å; E779-F782 WeakPolarHBondContact O-CG 3.35Å; E779-F782 PolarHBondContact O-N 3.39Å; E779-F782 VanDerWaalsContact O-N 3.16Å
780	E	85.4	Confident	90.6	Very high	185 Å²	185	39.5 Å²	39.5	86%	0.864	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-61.4	-20.7	175.8	-60.8	175.2	-166.1	0	0	113.2	A778	A778-E780 PolarHBondContact O-N 2.74Å
781	E	86	Confident	90.5	Very high	104 Å²	104	37 Å²	37	49%	0.486	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-90	-8.6	-178.8	-62.1	177.8	-149.2	0	0	113.3	Q708 C777 A778 E779 H783	Q708-E781 PolarHBondContact OE1-O 3.45Å; C777-E781 HydrophobicContact CB-CB 4.44Å; A778-E781 WeakPolarHBondContact O-CB 3.32Å; A778-E781 PolarHBondContact O-N 3.03Å; E779-E781 PolarHBondContact O-N 3.29Å; E779-E781 VanDerWaalsContact O-N 3.14Å; E781-H783 PolarHBondContact O-N 3.19Å; E781-H783 VanDerWaalsContact O-N 3.12Å
782	F	90.5	Very high	90.5	Very high	5 Å²	5	37.3 Å²	37.3	2%	0.022	21%	0.205	C	C	.	.			trans	-68.6	-16.9	-172.2	-66.9	6.4	0	0	0	113.3	W697 L706 F772 T774 C777 A778 E779 D790 T791	W697-F782 AromaticContact CD1-CE2 3.84Å; W697-F782 AromaticContact NE1-CE2 3.54Å; L706-F782 HydrophobicContact CD1-CD2 4Å; L706-F782 HydrophobicContact CD1-CE2 4.37Å; L706-F782 HydrophobicContact CD1-CG 4.43Å; F772-F782 AromaticContact CE2-CD1 3.32Å; F772-F782 HydrophobicContact CE2-CD1 3.32Å; F772-F782 AromaticContact CE2-CE1 3.45Å; F772-F782 HydrophobicContact CE2-CE1 3.45Å; F772-F782 VanDerWaalsContact CE2-CE1 3.45Å; F772-F782 HydrophobicContact CE2-CG 4.08Å; F772-F782 HydrophobicContact CE2-CZ 4.26Å; F772-F782 HydrophobicContact CZ-CB 4.06Å; F772-F782 AromaticContact CZ-CD1 3.44Å; F772-F782 HydrophobicContact CZ-CD1 3.44Å; F772-F782 VanDerWaalsContact CZ-CD1 3.44Å; F772-F782 HydrophobicContact CZ-CE1 4.03Å; F772-F782 AromaticContact CZ-CG 3.76Å; F772-F782 HydrophobicContact CZ-CG 3.76Å; T774-F782 HydrophobicContact CG2-CE2 3.84Å; T774-F782 HydrophobicContact CG2-CZ 3.84Å; C777-F782 HydrophobicContact CB-CE1 4.23Å; A778-F782 VanDerWaalsContact O-CD1 3.23Å; A778-F782 WeakPolarHBondContact O-CD1 3.46Å; A778-F782 WeakPolarHBondContact O-CE1 3.48Å; E779-F782 HydrophobicContact CB-CE2 4.32Å; E779-F782 HydrophobicContact CB-CZ 4.4Å; E779-F782 HydrophobicContact CG-CE2 3.99Å; E779-F782 HydrophobicContact CG-CZ 3.98Å; E779-F782 WeakPolarHBondContact O-CB 3.45Å; E779-F782 WeakPolarHBondContact O-CG 3.35Å; E779-F782 PolarHBondContact O-N 3.39Å; E779-F782 VanDerWaalsContact O-N 3.16Å; F782-D790 CarbonylContact C-O 3.57Å; F782-D790 VanDerWaalsContact C-O 3.28Å; F782-T791 HydrophobicContact CD2-CG2 4.42Å
783	H	89.5	Confident	90.6	Very high	45 Å²	45	36.9 Å²	36.9	21%	0.208	20%	0.203	C	C	.	.			trans	-55.3	145.3	-175.3	-177.5	69.3	0	0	0	113.5	H709 E781 Y785 L789 D790	H709-H783 PolarHBondContact N-O 2.93Å; E781-H783 PolarHBondContact O-N 3.19Å; E781-H783 VanDerWaalsContact O-N 3.12Å; H783-Y785 PolarHBondContact CD2-N 3.08Å; H783-L789 PolarHBondContact CE1-O 2.89Å; H783-L789 PolarHBondContact ND1-O 3.45Å; H783-D790 WeakPolarHBondContact CA-O 3.38Å; H783-D790 PolarHBondContact N-O 3.46Å
784	H	93.2	Very high	90.8	Very high	11 Å²	11	37.4 Å²	37.4	5%	0.051	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-109.8	91.4	174.6	-165.1	-67.7	0	0	0	111.1	H709 G786 L787 A788 L789 Y792	H709-H784 HydrophobicContact CB-CB 4.42Å; H709-H784 AromaticContact ND1-CE1 3.74Å; H784-G786 VanDerWaalsContact C-N 3.33Å; H784-G786 PolarHBondContact O-N 3.14Å; H784-G786 VanDerWaalsContact O-N 3.16Å; H784-L787 HydrophobicContact CB-CB 4.42Å; H784-L787 VanDerWaalsContact CE1-CG 3.49Å; H784-L787 WeakPolarHBondContact CE1-CG 3.13Å; H784-L787 WeakPolarHBondContact ND1-CB 3.34Å; H784-L787 WeakPolarHBondContact ND1-CG 3.3Å; H784-L787 PolarHBondContact ND1-N 2.74Å; H784-L787 PolarHBondContact O-N 3.17Å; H784-A788 PolarHBondContact O-N 2.99Å; H784-L789 PolarHBondContact N-O 3.41Å; H784-Y792 AromaticContact CD2-CD1 3.73Å
785	Y	91	Very high	91	Very high	11 Å²	11	37.2 Å²	37.2	4%	0.043	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.4	-50.1	-174.6	-177.4	-94.8	0	0	0	113.9	L649 H709 P711 P712 N736 M766 H783 L787	L649-Y785 HydrophobicContact CD1-CD1 3.89Å; L649-Y785 HydrophobicContact CD1-CE1 3.47Å; L649-Y785 VanDerWaalsContact CD1-CE1 3.47Å; H709-Y785 WeakPolarHBondContact O-CB 3.47Å; H709-Y785 PolarHBondContact O-N 3Å; P711-Y785 HydrophobicContact CB-CD2 4.15Å; P711-Y785 HydrophobicContact CB-CE2 4.41Å; P712-Y785 HydrophobicContact CG-CD1 4.46Å; P712-Y785 HydrophobicContact CG-CE1 3.83Å; N736-Y785 HydrophobicContact CB-CD1 4.38Å; N736-Y785 HydrophobicContact CB-CD2 4.05Å; N736-Y785 HydrophobicContact CB-CE1 4.06Å; N736-Y785 HydrophobicContact CB-CE2 3.72Å; N736-Y785 HydrophobicContact CB-CG 4.37Å; N736-Y785 PolarHBondContact N-OH 3.39Å; N736-Y785 PolarHBondContact ND2-O 3.2Å; M766-Y785 HydrophobicContact CE-CE1 4.07Å; M766-Y785 HydrophobicContact SD-CD1 4.07Å; M766-Y785 HydrophobicContact SD-CE1 3.8Å; H783-Y785 PolarHBondContact CD2-N 3.08Å; Y785-L787 PolarHBondContact O-N 2.93Å
786	G	89.8	Confident	91.4	Very high	9 Å²	9	36.3 Å²	36.3	9%	0.093	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-25.2	-176.9	0	0	0	0	0	115.6	L649 H709 H784	L649-G786 PolarHBondContact N-O 3.03Å; H709-G786 PolarHBondContact ND1-N 2.92Å; H784-G786 VanDerWaalsContact C-N 3.33Å; H784-G786 PolarHBondContact O-N 3.14Å; H784-G786 VanDerWaalsContact O-N 3.16Å
787	L	91	Very high	91.8	Very high	25 Å²	25	34 Å²	34	13%	0.131	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-9.6	-178.4	-71	175.3	0	0	0	112.2	R643 I686 H784 Y785 L789 Y792	R643-L787 WeakPolarHBondContact CD-O 3.26Å; R643-L787 VanDerWaalsContact CG-O 3.27Å; R643-L787 WeakPolarHBondContact CG-O 3Å; I686-L787 HydrophobicContact CD1-CD2 3.88Å; I686-L787 HydrophobicContact CG1-CD2 4.35Å; H784-L787 HydrophobicContact CB-CB 4.42Å; H784-L787 VanDerWaalsContact CE1-CG 3.49Å; H784-L787 WeakPolarHBondContact CE1-CG 3.13Å; H784-L787 WeakPolarHBondContact ND1-CB 3.34Å; H784-L787 WeakPolarHBondContact ND1-CG 3.3Å; H784-L787 PolarHBondContact ND1-N 2.74Å; H784-L787 PolarHBondContact O-N 3.17Å; Y785-L787 PolarHBondContact O-N 2.93Å; L787-L789 VanDerWaalsContact C-N 3.3Å; L787-L789 HydrophobicContact CB-CD1 3.99Å; L787-L789 HydrophobicContact CB-CG 4.09Å; L787-L789 HydrophobicContact CD1-CD1 4.3Å; L787-L789 PolarHBondContact O-N 3.46Å; L787-Y792 HydrophobicContact CD1-CD1 4.11Å; L787-Y792 HydrophobicContact CD1-CD2 3.82Å; L787-Y792 HydrophobicContact CD1-CE1 3.9Å; L787-Y792 HydrophobicContact CD1-CE2 3.58Å; L787-Y792 HydrophobicContact CD1-CG 4.08Å
788	A	91.6	Very high	92.4	Very high	8 Å²	8	32.4 Å²	32.4	7%	0.066	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	42.7	-172	0	0	0	0	0	113.1	C646 A648 H784	C646-A788 HydrophobicContact CB-CB 4Å; C646-A788 WeakPolarHBondContact O-CB 3.48Å; A648-A788 HydrophobicContact CB-CB 4.32Å; H784-A788 PolarHBondContact O-N 2.99Å
789	L	91.3	Very high	92.8	Very high	17 Å²	17	30 Å²	30	9%	0.089	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-116.5	142.5	177.8	-64.1	172.5	0	0	0	110.7	I686 H690 H783 H784 L787 Y792	I686-L789 HydrophobicContact CG2-CD1 3.83Å; H690-L789 HydrophobicContact CB-CD1 4.12Å; H783-L789 PolarHBondContact CE1-O 2.89Å; H783-L789 PolarHBondContact ND1-O 3.45Å; H784-L789 PolarHBondContact N-O 3.41Å; L787-L789 VanDerWaalsContact C-N 3.3Å; L787-L789 HydrophobicContact CB-CD1 3.99Å; L787-L789 HydrophobicContact CB-CG 4.09Å; L787-L789 HydrophobicContact CD1-CD1 4.3Å; L787-L789 PolarHBondContact O-N 3.46Å; L789-Y792 HydrophobicContact CD1-CD2 3.8Å; L789-Y792 HydrophobicContact CD1-CE2 4.41Å
790	D	88.9	Confident	93.2	Very high	45 Å²	45	28.3 Å²	28.3	24%	0.241	14%	0.135	C	C	.	.	S	Bend	trans	-67.3	-42.6	173.9	64.2	-40.9	0	0	0	112.2	H690 F782 H783	H690-D790 IonicContact CE1-OD1 2.77Å; H690-D790 PolarHBondContact CE1-OD1 3.08Å; H690-D790 IonicContact ND1-OD1 2.73Å; F782-D790 CarbonylContact C-O 3.57Å; F782-D790 VanDerWaalsContact C-O 3.28Å; H783-D790 WeakPolarHBondContact CA-O 3.38Å; H783-D790 PolarHBondContact N-O 3.46Å
791	T	92.9	Very high	93.8	Very high	4 Å²	4	21 Å²	21	3%	0.025	10%	0.099	C	C	.	.	S	Bend	trans	-136.5	137.5	-179.5	55.4	0	0	0	0	110.9	H690 W697 F782	H690-T791 PolarHBondContact ND1-O 3.27Å; W697-T791 HydrophobicContact CE3-CG2 4.31Å; F782-T791 HydrophobicContact CD2-CG2 4.42Å
792	Y	97.4	Very high	94.4	Very high	16 Å²	16	16 Å²	16	6%	0.063	8%	0.076	C	C	.	.			trans	-149.8	149.5	-179.1	-171.3	-105.1	0	0	0	111.1	I686 N689 R707 H784 L787 L789 H794	I686-Y792 HydrophobicContact CG2-CE2 4.38Å; N689-Y792 HydrophobicContact CB-CD2 4.1Å; N689-Y792 HydrophobicContact CB-CE2 3.47Å; N689-Y792 VanDerWaalsContact CB-CE2 3.47Å; N689-Y792 PolarHBondContact ND2-OH 3.28Å; R707-Y792 HydrophobicContact CB-CD1 4.23Å; R707-Y792 PolarHBondContact N-O 2.79Å; H784-Y792 AromaticContact CD2-CD1 3.73Å; L787-Y792 HydrophobicContact CD1-CD1 4.11Å; L787-Y792 HydrophobicContact CD1-CD2 3.82Å; L787-Y792 HydrophobicContact CD1-CE1 3.9Å; L787-Y792 HydrophobicContact CD1-CE2 3.58Å; L787-Y792 HydrophobicContact CD1-CG 4.08Å; L789-Y792 HydrophobicContact CD1-CD2 3.8Å; L789-Y792 HydrophobicContact CD1-CE2 4.41Å; Y792-H794 AromaticContact CE1-CD2 3.63Å; Y792-H794 AromaticContact CE1-NE2 3.76Å
793	T	98.2	Very high	94.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.075	C	C	.	.			trans	-148.6	-179.2	172.9	-161.9	0	0	0	0	109.9	N689 V692 A693 I696 L705 V807	N689-T793 VanDerWaalsContact CB-O 3.26Å; N689-T793 WeakPolarHBondContact CB-O 3.42Å; N689-T793 PolarHBondContact OD1-O 3.1Å; V692-T793 HydrophobicContact CG1-CG2 4.33Å; A693-T793 HydrophobicContact CB-CG2 3.85Å; I696-T793 HydrophobicContact CD1-CG2 4.41Å; L705-T793 PolarHBondContact O-OG1 3.39Å; T793-V807 HydrophobicContact CG2-CG1 3.91Å; T793-V807 HydrophobicContact CG2-CG2 4.24Å; T793-V807 WeakPolarHBondContact OG1-CG2 3.26Å
794	H	98.4	Very high	95.1	Very high	12 Å²	12	13.7 Å²	13.7	6%	0.056	7%	0.065	C	C	.	.			trans	-113.3	127.3	168.1	-72.2	164.6	0	0	0	110.9	N689 R707 Y771 Y792 R801 D804 V807	N689-H794 WeakPolarHBondContact OD1-CA 3.23Å; R707-H794 VanDerWaalsContact CD-CE1 3.41Å; R707-H794 WeakPolarHBondContact CD-CE1 3.47Å; R707-H794 PolarHBondContact NE-CE1 3.44Å; R707-H794 PolarHBondContact NH1-CE1 3Å; R707-H794 PolarHBondContact NH1-NE2 3.27Å; Y771-H794 HydrophobicContact CE1-CB 4.24Å; Y771-H794 AromaticContact CE1-ND1 3.65Å; Y771-H794 AromaticContact CZ-ND1 3.49Å; Y771-H794 PolarHBondContact OH-ND1 2.8Å; Y792-H794 AromaticContact CE1-CD2 3.63Å; Y792-H794 AromaticContact CE1-NE2 3.76Å; H794-R801 PolarHBondContact CE1-NH1 2.97Å; H794-R801 VanDerWaalsContact CE1-NH1 3.31Å; H794-R801 PolarHBondContact ND1-NH1 3.48Å; H794-D804 WeakPolarHBondContact CB-OD1 3.43Å; H794-D804 WeakPolarHBondContact O-CA 3.41Å; H794-V807 WeakPolarHBondContact O-CG2 3.42Å
795	F	98.2	Very high	95.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.063	C	C	.	.			trans	-133.1	-27.6	-176.6	168.2	-97.3	0	0	0	112	I505 V559 I561 N689 V692 S797 D804 V807 H808 L811	I505-F795 HydrophobicContact CB-CE1 3.91Å; I505-F795 HydrophobicContact CB-CZ 4.26Å; I505-F795 HydrophobicContact CG1-CD1 3.93Å; I505-F795 HydrophobicContact CG1-CE1 3.36Å; I505-F795 HydrophobicContact CG1-CZ 4.18Å; V559-F795 HydrophobicContact CB-CE2 4.48Å; V559-F795 HydrophobicContact CB-CZ 4.02Å; V559-F795 HydrophobicContact CG1-CE2 3.97Å; V559-F795 HydrophobicContact CG1-CZ 3.67Å; I561-F795 HydrophobicContact CD1-CD1 3.78Å; I561-F795 HydrophobicContact CD1-CE1 3.12Å; I561-F795 HydrophobicContact CD1-CZ 3.68Å; N689-F795 WeakPolarHBondContact OD1-CB 3.49Å; N689-F795 PolarHBondContact OD1-N 3.22Å; V692-F795 HydrophobicContact CB-CB 4.32Å; V692-F795 HydrophobicContact CB-CD2 4.5Å; V692-F795 HydrophobicContact CB-CG 4.27Å; V692-F795 HydrophobicContact CG1-CB 4.11Å; V692-F795 HydrophobicContact CG1-CD2 3.89Å; V692-F795 HydrophobicContact CG1-CG 4.07Å; V692-F795 HydrophobicContact CG2-CB 4.43Å; V692-F795 HydrophobicContact CG2-CD1 4Å; V692-F795 HydrophobicContact CG2-CD2 4.1Å; V692-F795 HydrophobicContact CG2-CE1 4.33Å; V692-F795 HydrophobicContact CG2-CE2 4.4Å; V692-F795 HydrophobicContact CG2-CG 3.89Å; F795-S797 PolarHBondContact O-N 3.27Å; F795-D804 VanDerWaalsContact C-OD2 3.24Å; F795-D804 PolarHBondContact N-OD2 2.86Å; F795-V807 HydrophobicContact CB-CG1 4.02Å; F795-V807 HydrophobicContact CD2-CG1 4Å; F795-V807 HydrophobicContact CG-CG1 4.49Å; F795-H808 AromaticContact CD2-CD2 3.19Å; F795-H808 WeakPolarHBondContact CD2-CD2 3.14Å; F795-H808 AromaticContact CD2-NE2 3.4Å; F795-H808 WeakPolarHBondContact CD2-NE2 3.3Å; F795-H808 AromaticContact CE2-CD2 3.17Å; F795-H808 WeakPolarHBondContact CE2-CD2 3.17Å; F795-H808 AromaticContact CE2-CE1 3.76Å; F795-H808 AromaticContact CE2-CG 3.77Å; F795-H808 AromaticContact CE2-NE2 3.17Å; F795-H808 WeakPolarHBondContact CE2-NE2 3.41Å; F795-H808 AromaticContact CZ-CE1 3.97Å; F795-H808 AromaticContact CZ-NE2 3.6Å; F795-H808 PolarHBondContact O-NE2 2.98Å; F795-L811 HydrophobicContact CD2-CD2 4.34Å; F795-L811 HydrophobicContact CE2-CD2 3.65Å; F795-L811 HydrophobicContact CZ-CD2 4.14Å
796	T	97.8	Very high	95.6	Very high	7 Å²	7	12.8 Å²	12.8	4%	0.043	6%	0.062	C	C	.	.	S	Bend	trans	-84.1	3.5	-163.1	57.5	0	0	0	0	115.8	I505 M685 A688 N689 R801 D804	I505-T796 HydrophobicContact CD1-CG2 4.07Å; I505-T796 HydrophobicContact CG1-CG2 4.47Å; M685-T796 HydrophobicContact CB-CG2 4.11Å; M685-T796 HydrophobicContact CG-CG2 4.36Å; M685-T796 VanDerWaalsContact SD-CB 3.56Å; M685-T796 HydrophobicContact SD-CG2 3.48Å; M685-T796 WeakPolarHBondContact SD-CG2 3.36Å; A688-T796 HydrophobicContact CB-CG2 3.91Å; N689-T796 PolarHBondContact ND2-OG1 3.18Å; N689-T796 PolarHBondContact OD1-N 3.37Å; T796-R801 PolarHBondContact OG1-NH2 3.16Å; T796-D804 PolarHBondContact N-OD2 3.02Å
797	S	97.2	Very high	96	Very high	3 Å²	3	12.3 Å²	12.3	2%	0.021	6%	0.057	C	C	.	.			trans	-146.9	60.5	-178.7	-51.6	0	0	0	0	114.4	D486 F795 I799 R800 R801 D804	D486-S797 VanDerWaalsContact CG-CA 3.41Å; D486-S797 VanDerWaalsContact OD1-C 3.32Å; D486-S797 WeakPolarHBondContact OD1-CA 3.32Å; D486-S797 WeakPolarHBondContact OD2-CA 3.44Å; D486-S797 VanDerWaalsContact OD2-CB 3.3Å; D486-S797 WeakPolarHBondContact OD2-CB 3.49Å; F795-S797 PolarHBondContact O-N 3.27Å; S797-I799 VanDerWaalsContact C-N 3.27Å; S797-I799 PolarHBondContact O-N 3.36Å; S797-R800 VanDerWaalsContact CB-NE 3.27Å; S797-R800 PolarHBondContact O-N 3.4Å; S797-R800 PolarHBondContact OG-NE 2.49Å; S797-R800 PolarHBondContact OG-NH2 3.29Å; S797-R801 WeakPolarHBondContact O-CB 3.37Å; S797-R801 PolarHBondContact O-N 2.76Å; S797-R801 PolarHBondContact OG-NH2 3.3Å; S797-D804 WeakPolarHBondContact CA-OD2 3.07Å; S797-D804 PolarHBondContact N-OD2 3.47Å
798	P	97.7	Very high	96.3	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-16.1	-178	32.6	-38.3	0	0	0	114.7	D486 I505 A506 V508 M538 R800 D804 I805	D486-P798 WeakPolarHBondContact OD1-CD 3.4Å; I505-P798 HydrophobicContact CG2-CG 3.8Å; A506-P798 HydrophobicContact CB-CG 4.4Å; A506-P798 WeakPolarHBondContact O-CG 2.94Å; V508-P798 HydrophobicContact CB-CB 4.04Å; V508-P798 HydrophobicContact CB-CG 4.4Å; V508-P798 HydrophobicContact CG2-CB 3.83Å; V508-P798 HydrophobicContact CG2-CG 3.84Å; M538-P798 WeakPolarHBondContact CE-O 3.37Å; P798-R800 VanDerWaalsContact C-N 3.29Å; P798-D804 HydrophobicContact CB-CB 3.99Å; P798-I805 HydrophobicContact CB-CG1 4.1Å
799	I	96.2	Very high	96.5	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.01	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-35.8	174.4	-64	170.6	0	0	0	110.5	D484 D486 A506 V508 M538 S544 C548 S797	D484-I799 HydrophobicContact CB-CG2 4.17Å; D486-I799 WeakPolarHBondContact OD1-CB 3.39Å; D486-I799 WeakPolarHBondContact OD1-CD1 3.36Å; D486-I799 WeakPolarHBondContact OD1-CG1 3.47Å; D486-I799 PolarHBondContact OD1-N 2.98Å; A506-I799 HydrophobicContact CB-CD1 3.98Å; A506-I799 HydrophobicContact CB-CG1 4.14Å; V508-I799 HydrophobicContact CG2-CG1 3.9Å; M538-I799 WeakPolarHBondContact CE-O 3.33Å; S544-I799 VanDerWaalsContact CB-CG2 3.47Å; C548-I799 HydrophobicContact CB-CD1 4.14Å; C548-I799 HydrophobicContact CB-CG1 4.03Å; S797-I799 VanDerWaalsContact C-N 3.27Å; S797-I799 PolarHBondContact O-N 3.36Å
800	R	95.4	Very high	96.7	Very high	85 Å²	85	12.2 Å²	12.2	32%	0.321	5%	0.053	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-6.3	-172.2	60.6	-178.2	-176.7	117.6	5.2	115.3	D486 T527 T528 Y530 S797 P798	D486-R800 IonicContact OD2-NE 3.94Å; T527-R800 CarbonylContact C-O 3.55Å; T527-R800 WeakPolarHBondContact CA-O 3.28Å; T527-R800 PolarHBondContact OG1-O 3.4Å; T528-R800 PolarHBondContact N-O 3.08Å; T528-R800 WeakPolarHBondContact OG1-CA 3.12Å; T528-R800 WeakPolarHBondContact OG1-CB 3.25Å; Y530-R800 VanDerWaalsContact OH-CD 3.29Å; Y530-R800 WeakPolarHBondContact OH-CD 3.19Å; S797-R800 VanDerWaalsContact CB-NE 3.27Å; S797-R800 PolarHBondContact O-N 3.4Å; S797-R800 PolarHBondContact OG-NE 2.49Å; S797-R800 PolarHBondContact OG-NH2 3.29Å; P798-R800 VanDerWaalsContact C-N 3.29Å
801	R	97.7	Very high	97.1	Very high	31 Å²	31	10.1 Å²	10.1	12%	0.117	4%	0.042	C	C	.	.	B	Isolated β-bridge	trans	-133.4	125.1	178.3	-65	-174.8	-61.8	-152.3	-3.5	112.3	H794 T796 S797 S803 D804	H794-R801 PolarHBondContact CE1-NH1 2.97Å; H794-R801 VanDerWaalsContact CE1-NH1 3.31Å; H794-R801 PolarHBondContact ND1-NH1 3.48Å; T796-R801 PolarHBondContact OG1-NH2 3.16Å; S797-R801 WeakPolarHBondContact O-CB 3.37Å; S797-R801 PolarHBondContact O-N 2.76Å; S797-R801 PolarHBondContact OG-NH2 3.3Å; R801-S803 VanDerWaalsContact C-N 3.32Å; R801-S803 PolarHBondContact O-N 3.3Å; R801-D804 HydrophobicContact CB-CB 4.37Å; R801-D804 WeakPolarHBondContact CB-OD1 3.39Å; R801-D804 IonicContact CZ-OD1 3.52Å; R801-D804 IonicContact CZ-OD2 3.02Å; R801-D804 VanDerWaalsContact CZ-OD2 3.24Å; R801-D804 IonicContact NE-OD1 3.8Å; R801-D804 PolarHBondContact NE-OD1 2.83Å; R801-D804 IonicContact NE-OD2 3.93Å; R801-D804 PolarHBondContact NE-OD2 3.41Å; R801-D804 IonicContact NH2-OD1 2.74Å; R801-D804 IonicContact NH2-OD2 3.51Å; R801-D804 PolarHBondContact NH2-OD2 3.27Å; R801-D804 PolarHBondContact O-N 3.14Å
802	Y	98	Very high	97.2	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-71.8	-26.6	177.7	-173.5	-100.7	0	0	0	112.6	D519 A522 R523 A526 M538 D804 I805 V806 L836 I840	D519-Y802 WeakPolarHBondContact OD1-CE2 3.21Å; D519-Y802 PolarHBondContact OD1-OH 3.31Å; A522-Y802 HydrophobicContact CB-CD2 3.87Å; A522-Y802 HydrophobicContact CB-CE2 4.31Å; R523-Y802 HydrophobicContact CB-CD1 4.31Å; R523-Y802 HydrophobicContact CB-CD2 4.28Å; R523-Y802 HydrophobicContact CB-CE1 3.87Å; R523-Y802 HydrophobicContact CB-CE2 3.82Å; R523-Y802 HydrophobicContact CG-CD1 4.25Å; R523-Y802 HydrophobicContact CG-CE1 3.68Å; R523-Y802 PolarHBondContact NE-OH 3.12Å; R523-Y802 PolarHBondContact NH2-OH 2.98Å; A526-Y802 WeakPolarHBondContact O-CB 3.19Å; A526-Y802 PolarHBondContact O-N 3.33Å; M538-Y802 PolarHBondContact SD-N 2.93Å; Y802-D804 PolarHBondContact O-N 2.88Å; Y802-I805 HydrophobicContact CD2-CB 4.44Å; Y802-I805 HydrophobicContact CD2-CD1 4.16Å; Y802-I805 HydrophobicContact CE2-CG2 4.48Å; Y802-I805 PolarHBondContact O-N 2.71Å; Y802-V806 HydrophobicContact CD1-CG2 4.01Å; Y802-V806 HydrophobicContact CE1-CG2 3.58Å; Y802-V806 WeakPolarHBondContact O-CG2 3.43Å; Y802-V806 PolarHBondContact O-N 2.9Å; Y802-V806 VanDerWaalsContact O-N 3.13Å; Y802-L836 HydrophobicContact CD1-CD1 4.13Å; Y802-L836 HydrophobicContact CE1-CD1 3.86Å; Y802-L836 HydrophobicContact CE1-CD2 3.98Å; Y802-I840 HydrophobicContact CD1-CD1 4.35Å
803	S	97.8	Very high	97	Very high	1 Å²	1	11 Å²	11	1%	0.007	5%	0.048	C	C	.	.	H	α-helix	trans	-52.8	-42.6	171.2	44.8	0	0	0	0	111.3	Y771 R801 V806 V807	Y771-S803 PolarHBondContact OH-OG 2.84Å; Y771-S803 VanDerWaalsContact OH-OG 3.14Å; R801-S803 VanDerWaalsContact C-N 3.32Å; R801-S803 PolarHBondContact O-N 3.3Å; S803-V806 WeakPolarHBondContact O-CB 3.45Å; S803-V806 PolarHBondContact O-N 2.89Å; S803-V807 WeakPolarHBondContact O-CG2 3.23Å; S803-V807 PolarHBondContact O-N 3.08Å
804	D	98.3	Very high	96.8	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-72.8	-36.4	-174.6	-57.4	37.8	0	0	0	110.1	H794 F795 T796 S797 P798 R801 Y802 V806 V807 H808	H794-D804 WeakPolarHBondContact CB-OD1 3.43Å; H794-D804 WeakPolarHBondContact O-CA 3.41Å; F795-D804 VanDerWaalsContact C-OD2 3.24Å; F795-D804 PolarHBondContact N-OD2 2.86Å; T796-D804 PolarHBondContact N-OD2 3.02Å; S797-D804 WeakPolarHBondContact CA-OD2 3.07Å; S797-D804 PolarHBondContact N-OD2 3.47Å; P798-D804 HydrophobicContact CB-CB 3.99Å; R801-D804 HydrophobicContact CB-CB 4.37Å; R801-D804 WeakPolarHBondContact CB-OD1 3.39Å; R801-D804 IonicContact CZ-OD1 3.52Å; R801-D804 IonicContact CZ-OD2 3.02Å; R801-D804 VanDerWaalsContact CZ-OD2 3.24Å; R801-D804 IonicContact NE-OD1 3.8Å; R801-D804 PolarHBondContact NE-OD1 2.83Å; R801-D804 IonicContact NE-OD2 3.93Å; R801-D804 PolarHBondContact NE-OD2 3.41Å; R801-D804 IonicContact NH2-OD1 2.74Å; R801-D804 IonicContact NH2-OD2 3.51Å; R801-D804 PolarHBondContact NH2-OD2 3.27Å; R801-D804 PolarHBondContact O-N 3.14Å; Y802-D804 PolarHBondContact O-N 2.88Å; D804-V806 VanDerWaalsContact C-N 3.3Å; D804-V806 PolarHBondContact O-N 2.73Å; D804-V807 PolarHBondContact O-N 3.33Å; D804-H808 WeakPolarHBondContact O-CB 3.42Å; D804-H808 PolarHBondContact O-CD2 2.88Å; D804-H808 PolarHBondContact O-N 3.24Å
805	I	97.6	Very high	96.6	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-58.5	-43.3	170.3	-63.5	179.2	0	0	0	110.8	V508 T509 M538 P798 Y802 R809	V508-I805 HydrophobicContact CB-CG1 4.5Å; V508-I805 HydrophobicContact CG1-CD1 3.77Å; V508-I805 HydrophobicContact CG1-CG1 4.03Å; T509-I805 HydrophobicContact CG2-CG2 4.15Å; M538-I805 HydrophobicContact CE-CD1 3.74Å; P798-I805 HydrophobicContact CB-CG1 4.1Å; Y802-I805 HydrophobicContact CD2-CB 4.44Å; Y802-I805 HydrophobicContact CD2-CD1 4.16Å; Y802-I805 HydrophobicContact CE2-CG2 4.48Å; Y802-I805 PolarHBondContact O-N 2.71Å; I805-R809 VanDerWaalsContact O-CG 3.32Å; I805-R809 WeakPolarHBondContact O-CG 3.39Å; I805-R809 PolarHBondContact O-N 2.81Å; I805-R809 VanDerWaalsContact O-N 3.09Å
806	V	96.9	Very high	96.2	Very high	3 Å²	3	13 Å²	13	2%	0.018	6%	0.061	C	C	.	.	H	α-helix	trans	-65.8	-44.1	176.9	176.3	0	0	0	0	110.9	L705 Y802 S803 D804 R809 L810 F828 L833 L836	L705-V806 HydrophobicContact CB-CG1 4.37Å; L705-V806 HydrophobicContact CD1-CB 4.16Å; L705-V806 HydrophobicContact CD1-CG1 3.91Å; Y802-V806 HydrophobicContact CD1-CG2 4.01Å; Y802-V806 HydrophobicContact CE1-CG2 3.58Å; Y802-V806 WeakPolarHBondContact O-CG2 3.43Å; Y802-V806 PolarHBondContact O-N 2.9Å; Y802-V806 VanDerWaalsContact O-N 3.13Å; S803-V806 WeakPolarHBondContact O-CB 3.45Å; S803-V806 PolarHBondContact O-N 2.89Å; D804-V806 VanDerWaalsContact C-N 3.3Å; D804-V806 PolarHBondContact O-N 2.73Å; V806-R809 WeakPolarHBondContact O-CB 3.38Å; V806-R809 PolarHBondContact O-N 3.35Å; V806-L810 HydrophobicContact CG1-CD1 4.07Å; V806-L810 HydrophobicContact CG1-CG 4.48Å; V806-L810 WeakPolarHBondContact O-CG 3.32Å; V806-L810 PolarHBondContact O-N 2.98Å; V806-F828 HydrophobicContact CG1-CD2 4.42Å; V806-F828 HydrophobicContact CG1-CE2 4.39Å; V806-F828 HydrophobicContact CG2-CE2 4.33Å; V806-L833 HydrophobicContact CG1-CD1 4.37Å; V806-L836 HydrophobicContact CG2-CD2 4Å
807	V	97.8	Very high	95.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-64.9	-40	178.1	171.6	0	0	0	0	111.6	V692 I696 L705 T793 H794 F795 S803 D804 R809 L810 L811	V692-V807 HydrophobicContact CG1-CG1 3.46Å; V692-V807 VanDerWaalsContact CG1-CG1 3.46Å; I696-V807 HydrophobicContact CD1-CG1 4.23Å; I696-V807 HydrophobicContact CD1-CG2 4.35Å; L705-V807 HydrophobicContact CB-CG2 4.37Å; L705-V807 HydrophobicContact CD2-CG2 4.04Å; T793-V807 HydrophobicContact CG2-CG1 3.91Å; T793-V807 HydrophobicContact CG2-CG2 4.24Å; T793-V807 WeakPolarHBondContact OG1-CG2 3.26Å; H794-V807 WeakPolarHBondContact O-CG2 3.42Å; F795-V807 HydrophobicContact CB-CG1 4.02Å; F795-V807 HydrophobicContact CD2-CG1 4Å; F795-V807 HydrophobicContact CG-CG1 4.49Å; S803-V807 WeakPolarHBondContact O-CG2 3.23Å; S803-V807 PolarHBondContact O-N 3.08Å; D804-V807 PolarHBondContact O-N 3.33Å; V807-R809 VanDerWaalsContact C-N 3.34Å; V807-R809 PolarHBondContact O-N 3.5Å; V807-L810 PolarHBondContact O-N 2.99Å; V807-L811 WeakPolarHBondContact O-CB 3.1Å; V807-L811 PolarHBondContact O-N 2.97Å
808	H	97.5	Very high	95.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-59.2	-45	172.9	-83.9	-132.5	0	0	0	111.1	A506 T509 V559 F795 D804 L811 M812	A506-H808 PolarHBondContact O-CE1 2.83Å; T509-H808 HydrophobicContact CG2-CB 3.34Å; V559-H808 WeakPolarHBondContact CG2-ND1 3.5Å; F795-H808 AromaticContact CD2-CD2 3.19Å; F795-H808 WeakPolarHBondContact CD2-CD2 3.14Å; F795-H808 AromaticContact CD2-NE2 3.4Å; F795-H808 WeakPolarHBondContact CD2-NE2 3.3Å; F795-H808 AromaticContact CE2-CD2 3.17Å; F795-H808 WeakPolarHBondContact CE2-CD2 3.17Å; F795-H808 AromaticContact CE2-CE1 3.76Å; F795-H808 AromaticContact CE2-CG 3.77Å; F795-H808 AromaticContact CE2-NE2 3.17Å; F795-H808 WeakPolarHBondContact CE2-NE2 3.41Å; F795-H808 AromaticContact CZ-CE1 3.97Å; F795-H808 AromaticContact CZ-NE2 3.6Å; F795-H808 PolarHBondContact O-NE2 2.98Å; D804-H808 WeakPolarHBondContact O-CB 3.42Å; D804-H808 PolarHBondContact O-CD2 2.88Å; D804-H808 PolarHBondContact O-N 3.24Å; H808-L811 PolarHBondContact O-N 2.6Å; H808-M812 WeakPolarHBondContact O-CG 3.44Å; H808-M812 PolarHBondContact O-N 2.88Å
809	R	95.7	Very high	94.8	Very high	39 Å²	39	28.6 Å²	28.6	15%	0.147	13%	0.133	C	C	.	.	H	α-helix	trans	-61.6	-44.1	175.6	-71.1	169.2	179.7	166.1	2.1	111.6	T509 V512 D519 I805 V806 V807 M812 A813	T509-R809 HydrophobicContact CG2-CG 3.97Å; V512-R809 PolarHBondContact O-NH2 3.02Å; D519-R809 IonicContact OD1-CZ 2.7Å; D519-R809 IonicContact OD1-NH1 2.69Å; D519-R809 PolarHBondContact OD1-NH1 3.16Å; D519-R809 IonicContact OD1-NH2 3.93Å; D519-R809 PolarHBondContact OD1-NH2 3.22Å; D519-R809 IonicContact OD2-NH1 2.7Å; I805-R809 VanDerWaalsContact O-CG 3.32Å; I805-R809 WeakPolarHBondContact O-CG 3.39Å; I805-R809 PolarHBondContact O-N 2.81Å; I805-R809 VanDerWaalsContact O-N 3.09Å; V806-R809 WeakPolarHBondContact O-CB 3.38Å; V806-R809 PolarHBondContact O-N 3.35Å; V807-R809 VanDerWaalsContact C-N 3.34Å; V807-R809 PolarHBondContact O-N 3.5Å; R809-M812 PolarHBondContact O-N 2.97Å; R809-A813 WeakPolarHBondContact O-CB 3.33Å; R809-A813 PolarHBondContact O-N 3.14Å
810	L	95.6	Very high	94.2	Very high	9 Å²	9	37.9 Å²	37.9	5%	0.047	17%	0.173	C	C	.	.	H	α-helix	trans	-63.1	-42.6	176.3	-72.4	169.7	0	0	0	111.8	I696 F700 L705 V806 V807 A813 A814 L827	I696-L810 HydrophobicContact CB-CB 4.41Å; I696-L810 HydrophobicContact CD1-CD1 4.39Å; I696-L810 HydrophobicContact CG2-CB 4.02Å; F700-L810 HydrophobicContact CD2-CD2 4.36Å; L705-L810 HydrophobicContact CB-CD1 4.15Å; V806-L810 HydrophobicContact CG1-CD1 4.07Å; V806-L810 HydrophobicContact CG1-CG 4.48Å; V806-L810 WeakPolarHBondContact O-CG 3.32Å; V806-L810 PolarHBondContact O-N 2.98Å; V807-L810 PolarHBondContact O-N 2.99Å; L810-A813 PolarHBondContact O-N 3.09Å; L810-A814 WeakPolarHBondContact O-CB 3.1Å; L810-A814 PolarHBondContact O-N 2.99Å; L810-L827 HydrophobicContact CD2-CD2 3.86Å
811	L	96.5	Very high	93.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.7	-43.3	177	-177.1	63	0	0	0	111.3	V559 Y577 V692 K695 I696 F795 V807 H808 A813 A814 I815	V559-L811 HydrophobicContact CG1-CD2 4.14Å; Y577-L811 HydrophobicContact CD1-CD1 4.04Å; Y577-L811 HydrophobicContact CD1-CD2 4.46Å; Y577-L811 HydrophobicContact CG-CD1 4.26Å; V692-L811 HydrophobicContact CG1-CD1 4.46Å; V692-L811 HydrophobicContact CG1-CD2 4.25Å; V692-L811 HydrophobicContact CG2-CD2 4.03Å; K695-L811 HydrophobicContact CB-CD1 4.35Å; K695-L811 HydrophobicContact CG-CD1 3.88Å; I696-L811 HydrophobicContact CG2-CB 4.18Å; I696-L811 HydrophobicContact CG2-CD1 4.43Å; F795-L811 HydrophobicContact CD2-CD2 4.34Å; F795-L811 HydrophobicContact CE2-CD2 3.65Å; F795-L811 HydrophobicContact CZ-CD2 4.14Å; V807-L811 WeakPolarHBondContact O-CB 3.1Å; V807-L811 PolarHBondContact O-N 2.97Å; H808-L811 PolarHBondContact O-N 2.6Å; L811-A813 VanDerWaalsContact C-N 3.31Å; L811-A813 PolarHBondContact O-N 3.35Å; L811-A814 WeakPolarHBondContact O-CB 3.15Å; L811-A814 PolarHBondContact O-N 3.46Å; L811-I815 HydrophobicContact CD1-CD1 4.47Å; L811-I815 HydrophobicContact CG-CD1 4.15Å; L811-I815 VanDerWaalsContact O-CG1 3.29Å; L811-I815 WeakPolarHBondContact O-CG1 3.31Å; L811-I815 PolarHBondContact O-N 3.08Å
812	M	94.9	Very high	92.3	Very high	29 Å²	29	46.3 Å²	46.3	14%	0.143	22%	0.219	C	C	.	.	H	α-helix	trans	-64.9	-36.6	175.8	-67.8	-51.8	103.5	0	0	112.1	V559 R579 H808 R809 I815 S816	V559-M812 HydrophobicContact CG1-CE 3.49Å; V559-M812 VanDerWaalsContact CG1-CE 3.49Å; V559-M812 HydrophobicContact CG2-CE 4.47Å; R579-M812 HydrophobicContact CG-SD 3.77Å; H808-M812 WeakPolarHBondContact O-CG 3.44Å; H808-M812 PolarHBondContact O-N 2.88Å; R809-M812 PolarHBondContact O-N 2.97Å; M812-I815 HydrophobicContact CE-CD1 3.59Å; M812-I815 HydrophobicContact SD-CD1 4.27Å; M812-S816 WeakPolarHBondContact O-CB 3.41Å; M812-S816 PolarHBondContact O-N 2.97Å; M812-S816 PolarHBondContact O-OG 3.17Å
813	A	93.7	Very high	91.1	Very high	9 Å²	9	49.6 Å²	49.6	7%	0.074	24%	0.236	C	C	.	.	H	α-helix	trans	-66.4	-39.5	173.3	0	0	0	0	0	112	F700 R809 L810 L811 S816 K817 I823 L827	F700-A813 HydrophobicContact CE2-CB 4.03Å; F700-A813 HydrophobicContact CZ-CB 3.81Å; R809-A813 WeakPolarHBondContact O-CB 3.33Å; R809-A813 PolarHBondContact O-N 3.14Å; L810-A813 PolarHBondContact O-N 3.09Å; L811-A813 VanDerWaalsContact C-N 3.31Å; L811-A813 PolarHBondContact O-N 3.35Å; A813-S816 PolarHBondContact O-N 3.12Å; A813-K817 WeakPolarHBondContact O-CB 3.25Å; A813-K817 PolarHBondContact O-N 3.12Å; A813-I823 HydrophobicContact CB-CG2 4.1Å; A813-L827 HydrophobicContact CB-CD2 4.07Å
814	A	94.3	Very high	89.1	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.4	-48.4	175.4	0	0	0	0	0	111.4	S699 F700 L810 L811 S816 K817 D818	S699-A814 WeakPolarHBondContact OG-CB 3.44Å; F700-A814 HydrophobicContact CE2-CB 3.97Å; L810-A814 WeakPolarHBondContact O-CB 3.1Å; L810-A814 PolarHBondContact O-N 2.99Å; L811-A814 WeakPolarHBondContact O-CB 3.15Å; L811-A814 PolarHBondContact O-N 3.46Å; A814-S816 VanDerWaalsContact C-N 3.3Å; A814-S816 PolarHBondContact O-N 3.09Å; A814-K817 WeakPolarHBondContact O-CB 3.48Å; A814-K817 PolarHBondContact O-N 2.85Å; A814-D818 PolarHBondContact O-N 3.32Å
815	I	93.1	Very high	87.2	Confident	20 Å²	20	61.4 Å²	61.4	10%	0.103	30%	0.3	C	S	.	.	H	α-helix	trans	-62.3	-38.7	176.8	-63.4	162.7	0	0	0	111.1	L811 M812 D818 K819	L811-I815 HydrophobicContact CD1-CD1 4.47Å; L811-I815 HydrophobicContact CG-CD1 4.15Å; L811-I815 VanDerWaalsContact O-CG1 3.29Å; L811-I815 WeakPolarHBondContact O-CG1 3.31Å; L811-I815 PolarHBondContact O-N 3.08Å; M812-I815 HydrophobicContact CE-CD1 3.59Å; M812-I815 HydrophobicContact SD-CD1 4.27Å; I815-D818 PolarHBondContact O-N 3.38Å; I815-K819 HydrophobicContact CG2-CD 4.29Å; I815-K819 WeakPolarHBondContact O-CG 3.25Å; I815-K819 PolarHBondContact O-N 3.31Å; I815-K819 VanDerWaalsContact O-N 3.1Å
816	S	90.5	Very high	85.7	Confident	34 Å²	34	69.5 Å²	69.5	24%	0.238	34%	0.343	C	S	.	.	H	α-helix	trans	-65.9	-39.7	177.2	-58.9	0	0	0	0	111.5	M812 A813 A814 K819 K820 M821	M812-S816 WeakPolarHBondContact O-CB 3.41Å; M812-S816 PolarHBondContact O-N 2.97Å; M812-S816 PolarHBondContact O-OG 3.17Å; A813-S816 PolarHBondContact O-N 3.12Å; A814-S816 VanDerWaalsContact C-N 3.3Å; A814-S816 PolarHBondContact O-N 3.09Å; S816-K819 CarbonylContact O-C 3.59Å; S816-K819 PolarHBondContact O-N 3.06Å; S816-K820 PolarHBondContact O-N 3.37Å; S816-K820 VanDerWaalsContact O-N 3.14Å; S816-M821 PolarHBondContact O-N 3.09Å
817	K	87.9	Confident	84.9	Confident	103 Å²	103	72 Å²	72	45%	0.448	36%	0.356	S	S	.	.	H	α-helix	trans	-62.2	-45.2	175	-172.2	-173.5	-178.6	-167.9	0	111.4	S699 F700 A813 A814 K819 K820	S699-K817 PolarHBondContact O-NZ 3.2Å; F700-K817 HydrophobicContact CE1-CD 4.42Å; A813-K817 WeakPolarHBondContact O-CB 3.25Å; A813-K817 PolarHBondContact O-N 3.12Å; A814-K817 WeakPolarHBondContact O-CB 3.48Å; A814-K817 PolarHBondContact O-N 2.85Å; K817-K819 VanDerWaalsContact C-N 3.28Å; K817-K819 PolarHBondContact O-N 2.88Å; K817-K820 PolarHBondContact O-N 3.23Å
818	D	88.6	Confident	84.2	Confident	90 Å²	90	74.3 Å²	74.3	48%	0.481	37%	0.366	S	S	.	.	H	α-helix	trans	-59.6	-40.1	175.8	-65.7	-23.7	0	0	0	111.9	K695 A814 I815 K820	K695-D818 WeakPolarHBondContact CE-OD2 3.27Å; K695-D818 VanDerWaalsContact NZ-CG 3.29Å; K695-D818 IonicContact NZ-OD1 3.38Å; K695-D818 PolarHBondContact NZ-OD1 2.7Å; K695-D818 IonicContact NZ-OD2 3.72Å; K695-D818 PolarHBondContact NZ-OD2 2.84Å; A814-D818 PolarHBondContact O-N 3.32Å; I815-D818 PolarHBondContact O-N 3.38Å; D818-K820 PolarHBondContact O-N 3.35Å
819	K	86.6	Confident	83.8	Confident	145 Å²	145	76.5 Å²	76.5	63%	0.63	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	2.3	176.5	-67.7	-179.5	-177.5	-179.1	0	113.8	I815 S816 K817 M821	I815-K819 HydrophobicContact CG2-CD 4.29Å; I815-K819 WeakPolarHBondContact O-CG 3.25Å; I815-K819 PolarHBondContact O-N 3.31Å; I815-K819 VanDerWaalsContact O-N 3.1Å; S816-K819 CarbonylContact O-C 3.59Å; S816-K819 PolarHBondContact O-N 3.06Å; K817-K819 VanDerWaalsContact C-N 3.28Å; K817-K819 PolarHBondContact O-N 2.88Å; K819-M821 HydrophobicContact CB-CG 3.96Å; K819-M821 HydrophobicContact CB-SD 4.15Å; K819-M821 HydrophobicContact CD-SD 4.35Å; K819-M821 PolarHBondContact O-N 3.07Å
820	K	84.3	Confident	83.4	Confident	197 Å²	197	77.1 Å²	77.1	86%	0.857	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	33	-175.5	-56	-179.6	-178.5	176.9	0	113.3	S816 K817 D818	S816-K820 PolarHBondContact O-N 3.37Å; S816-K820 VanDerWaalsContact O-N 3.14Å; K817-K820 PolarHBondContact O-N 3.23Å; D818-K820 PolarHBondContact O-N 3.35Å
821	M	81.1	Confident	83.1	Confident	120 Å²	120	83.8 Å²	83.8	59%	0.591	42%	0.416	S	S	*	.			trans	-89.9	155.4	174.7	-63.8	-179	70.5	0	0	110.4	S816 K819 I823	S816-M821 PolarHBondContact O-N 3.09Å; K819-M821 HydrophobicContact CB-CG 3.96Å; K819-M821 HydrophobicContact CB-SD 4.15Å; K819-M821 HydrophobicContact CD-SD 4.35Å; K819-M821 PolarHBondContact O-N 3.07Å; M821-I823 PolarHBondContact O-N 3.29Å
822	E	71.6	Confident	82.8	Confident	173 Å²	173	87.7 Å²	87.7	81%	0.808	44%	0.437	S	S	*	.			trans	-61.1	131.4	172.3	-73.2	-173.7	162.2	0	0	110.9	K824	E822-K824 PolarHBondContact O-N 3.45Å
823	I	72.4	Confident	82.7	Confident	69 Å²	69	86.4 Å²	86.4	35%	0.354	43%	0.431	S	S	.	.			trans	-72.2	102.8	175.4	-59	174.8	0	0	0	107.6	F700 A813 M821 G825 L827	F700-I823 HydrophobicContact CE1-CD1 4.45Å; A813-I823 HydrophobicContact CB-CG2 4.1Å; M821-I823 PolarHBondContact O-N 3.29Å; I823-G825 PolarHBondContact O-N 3.17Å; I823-G825 VanDerWaalsContact O-N 3.07Å; I823-L827 HydrophobicContact CG2-CG 4.49Å
824	K	57	Low	82.7	Confident	204 Å²	204	89.9 Å²	89.9	89%	0.887	45%	0.446	S	S	*	.			trans	-75.6	92.9	174.2	-70.4	-173.7	176.8	-175.3	0	109.6	E822	E822-K824 PolarHBondContact O-N 3.45Å
825	G	58.1	Low	82.5	Confident	46 Å²	46	94.8 Å²	94.8	47%	0.474	47%	0.469	S	S	.	.	S	Bend	trans	138.1	146.1	170.6	0	0	0	0	0	113.7	I823 L827	I823-G825 PolarHBondContact O-N 3.17Å; I823-G825 VanDerWaalsContact O-N 3.07Å; G825-L827 PolarHBondContact O-N 2.9Å
826	N	65.9	Low	82.6	Confident	169 Å²	169	94.3 Å²	94.3	90%	0.904	47%	0.466	S	S	*	.			trans	-73.7	108.1	173.4	-74.5	-12.6	0	0	0	109.2
827	L	79.9	Confident	82.8	Confident	56 Å²	56	92.9 Å²	92.9	29%	0.293	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-60.5	145.4	167.5	-66.6	172.7	0	0	0	109.6	F700 L810 A813 I823 G825 S829	F700-L827 HydrophobicContact CD1-CD1 4.01Å; F700-L827 HydrophobicContact CE1-CD1 3.53Å; F700-L827 HydrophobicContact CZ-CD1 4.01Å; L810-L827 HydrophobicContact CD2-CD2 3.86Å; A813-L827 HydrophobicContact CB-CD2 4.07Å; I823-L827 HydrophobicContact CG2-CG 4.49Å; G825-L827 PolarHBondContact O-N 2.9Å; L827-S829 PolarHBondContact O-N 2.95Å
828	F	83.9	Confident	83.1	Confident	48 Å²	48	93.5 Å²	93.5	21%	0.211	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-61.2	138	175.6	-70.4	-82.6	0	0	0	110.2	Q703 V806 D832 L833 L836	Q703-F828 PolarHBondContact NE2-O 2.83Å; V806-F828 HydrophobicContact CG1-CD2 4.42Å; V806-F828 HydrophobicContact CG1-CE2 4.39Å; V806-F828 HydrophobicContact CG2-CE2 4.33Å; F828-D832 HydrophobicContact CD1-CB 4.15Å; F828-L833 HydrophobicContact CB-CB 4.17Å; F828-L833 HydrophobicContact CB-CD1 4.36Å; F828-L836 HydrophobicContact CE1-CD2 4.44Å; F828-L836 HydrophobicContact CE2-CD2 4.45Å; F828-L836 HydrophobicContact CZ-CD2 4.28Å
829	S	88.1	Confident	83.3	Confident	47 Å²	47	91.9 Å²	91.9	33%	0.329	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-65.8	154.9	165.7	79.7	0	0	0	0	109.2	L827 K831 D832 L833	L827-S829 PolarHBondContact O-N 2.95Å; S829-K831 PolarHBondContact O-N 2.95Å; S829-D832 WeakPolarHBondContact CB-OD2 3.26Å; S829-D832 PolarHBondContact O-N 3.12Å; S829-D832 VanDerWaalsContact O-N 3.08Å; S829-D832 PolarHBondContact OG-N 2.79Å; S829-D832 PolarHBondContact OG-OD2 3.45Å; S829-L833 WeakPolarHBondContact O-CB 3.23Å; S829-L833 PolarHBondContact O-N 2.82Å
830	N	88.3	Confident	83.8	Confident	51 Å²	51	85.2 Å²	85.2	27%	0.273	42%	0.416	S	S	.	.	H	α-helix	trans	-53	-42.7	178.3	178.9	1.6	0	0	0	111.7	S773 G775 D832 L833 E834	S773-N830 PolarHBondContact OG-OD1 3.48Å; G775-N830 WeakPolarHBondContact CA-ND2 3.27Å; G775-N830 PolarHBondContact O-ND2 3.38Å; N830-D832 PolarHBondContact O-N 3.03Å; N830-L833 PolarHBondContact O-N 2.97Å; N830-E834 WeakPolarHBondContact O-CB 3.47Å; N830-E834 PolarHBondContact O-N 3.17Å
831	K	88.8	Confident	84.3	Confident	149 Å²	149	76.7 Å²	76.7	65%	0.648	38%	0.38	S	S	*	.	H	α-helix	trans	-64.8	-41.6	178.3	-175.5	177.5	175	-179.5	0	113	S829 L833 E834 E835	S829-K831 PolarHBondContact O-N 2.95Å; K831-L833 VanDerWaalsContact C-N 3.31Å; K831-E834 PolarHBondContact O-N 2.77Å; K831-E835 PolarHBondContact O-N 2.76Å; K831-E835 VanDerWaalsContact O-N 3.1Å
832	D	90.1	Very high	84.9	Confident	82 Å²	82	74.6 Å²	74.6	44%	0.439	37%	0.372	S	S	.	.	H	α-helix	trans	-67.8	-37.1	177.4	-59.2	-41	0	0	0	110.7	F828 S829 N830 E835 L836	F828-D832 HydrophobicContact CD1-CB 4.15Å; S829-D832 WeakPolarHBondContact CB-OD2 3.26Å; S829-D832 PolarHBondContact O-N 3.12Å; S829-D832 VanDerWaalsContact O-N 3.08Å; S829-D832 PolarHBondContact OG-N 2.79Å; S829-D832 PolarHBondContact OG-OD2 3.45Å; N830-D832 PolarHBondContact O-N 3.03Å; D832-E835 PolarHBondContact O-N 3.2Å; D832-L836 VanDerWaalsContact O-CB 3.31Å; D832-L836 WeakPolarHBondContact O-CB 3.41Å; D832-L836 PolarHBondContact O-N 3.47Å
833	L	92.8	Very high	86	Confident	2 Å²	2	68.8 Å²	68.8	1%	0.01	34%	0.342	C	S	.	.	H	α-helix	trans	-67.5	-40.6	176.7	-167.4	60.4	0	0	0	111.8	L705 V806 F828 S829 N830 K831 L836 C837	L705-L833 HydrophobicContact CB-CD1 4.2Å; L705-L833 HydrophobicContact CB-CD2 4.42Å; L705-L833 HydrophobicContact CD1-CD1 4.02Å; L705-L833 HydrophobicContact CG-CD1 4.49Å; V806-L833 HydrophobicContact CG1-CD1 4.37Å; F828-L833 HydrophobicContact CB-CB 4.17Å; F828-L833 HydrophobicContact CB-CD1 4.36Å; S829-L833 WeakPolarHBondContact O-CB 3.23Å; S829-L833 PolarHBondContact O-N 2.82Å; N830-L833 PolarHBondContact O-N 2.97Å; K831-L833 VanDerWaalsContact C-N 3.31Å; L833-L836 HydrophobicContact CD1-CD2 4.25Å; L833-L836 WeakPolarHBondContact O-CB 3.38Å; L833-L836 PolarHBondContact O-N 2.72Å; L833-C837 WeakPolarHBondContact O-CB 3.25Å; L833-C837 PolarHBondContact O-N 2.94Å; L833-C837 PolarHBondContact O-SG 2.71Å
834	E	92.7	Very high	87.1	Confident	83 Å²	83	67 Å²	67	39%	0.388	33%	0.333	S	S	.	.	H	α-helix	trans	-61	-45.2	174.5	-169.4	-149.2	127.3	0	0	111.5	N830 K831 L836 C837 R838	N830-E834 WeakPolarHBondContact O-CB 3.47Å; N830-E834 PolarHBondContact O-N 3.17Å; K831-E834 PolarHBondContact O-N 2.77Å; E834-L836 VanDerWaalsContact C-N 3.34Å; E834-L836 PolarHBondContact O-N 3.14Å; E834-C837 PolarHBondContact O-N 2.74Å; E834-R838 PolarHBondContact O-N 2.78Å; E834-R838 IonicContact OE1-NH2 3.03Å; E834-R838 PolarHBondContact OE1-NH2 2.67Å
835	E	91.5	Very high	88.8	Confident	103 Å²	103	63.1 Å²	63.1	48%	0.481	31%	0.313	S	S	.	.	H	α-helix	trans	-62.8	-41.3	175.1	179.1	163.7	-155.4	0	0	112	K831 D832 R838 H839	K831-E835 PolarHBondContact O-N 2.76Å; K831-E835 VanDerWaalsContact O-N 3.1Å; D832-E835 PolarHBondContact O-N 3.2Å; E835-R838 WeakPolarHBondContact O-CB 3.36Å; E835-R838 PolarHBondContact O-N 3.41Å; E835-H839 PolarHBondContact O-N 3.25Å
836	L	93.8	Very high	90.5	Very high	10 Å²	10	61.6 Å²	61.6	5%	0.052	30%	0.296	C	S	.	.	H	α-helix	trans	-63.3	-46.2	175.1	178.3	60.4	0	0	0	111.9	R523 Y802 V806 F828 D832 L833 E834 R838 H839 I840	R523-L836 HydrophobicContact CG-CD1 3.86Å; Y802-L836 HydrophobicContact CD1-CD1 4.13Å; Y802-L836 HydrophobicContact CE1-CD1 3.86Å; Y802-L836 HydrophobicContact CE1-CD2 3.98Å; V806-L836 HydrophobicContact CG2-CD2 4Å; F828-L836 HydrophobicContact CE1-CD2 4.44Å; F828-L836 HydrophobicContact CE2-CD2 4.45Å; F828-L836 HydrophobicContact CZ-CD2 4.28Å; D832-L836 VanDerWaalsContact O-CB 3.31Å; D832-L836 WeakPolarHBondContact O-CB 3.41Å; D832-L836 PolarHBondContact O-N 3.47Å; L833-L836 HydrophobicContact CD1-CD2 4.25Å; L833-L836 WeakPolarHBondContact O-CB 3.38Å; L833-L836 PolarHBondContact O-N 2.72Å; E834-L836 VanDerWaalsContact C-N 3.34Å; E834-L836 PolarHBondContact O-N 3.14Å; L836-R838 VanDerWaalsContact C-N 3.3Å; L836-R838 PolarHBondContact O-N 2.75Å; L836-H839 WeakPolarHBondContact O-CB 3.47Å; L836-H839 PolarHBondContact O-N 3.16Å; L836-H839 VanDerWaalsContact O-N 3.11Å; L836-I840 HydrophobicContact CD1-CD1 4.02Å; L836-I840 HydrophobicContact CD1-CG1 4.11Å; L836-I840 HydrophobicContact CD2-CD1 4.5Å; L836-I840 HydrophobicContact CG-CD1 3.84Å; L836-I840 HydrophobicContact CG-CG1 4.36Å; L836-I840 WeakPolarHBondContact O-CG1 3.39Å; L836-I840 PolarHBondContact O-N 3.15Å
837	C	95.9	Very high	91.9	Very high	3 Å²	3	54 Å²	54	2%	0.02	26%	0.256	C	S	.	.	H	α-helix	trans	-58.9	-42.3	176.8	-74.1	0	0	0	0	111.4	F772 L833 E834 H839 I840 N841	F772-C837 VanDerWaalsContact C-SG 3.57Å; L833-C837 WeakPolarHBondContact O-CB 3.25Å; L833-C837 PolarHBondContact O-N 2.94Å; L833-C837 PolarHBondContact O-SG 2.71Å; E834-C837 PolarHBondContact O-N 2.74Å; C837-H839 VanDerWaalsContact C-N 3.33Å; C837-H839 PolarHBondContact O-N 3.42Å; C837-I840 PolarHBondContact O-N 3.45Å; C837-N841 WeakPolarHBondContact O-CB 3.44Å; C837-N841 VanDerWaalsContact O-CG 3.22Å; C837-N841 PolarHBondContact O-N 2.88Å; C837-N841 PolarHBondContact O-ND2 2.81Å; C837-N841 VanDerWaalsContact O-ND2 3.08Å
838	R	92.9	Very high	92.4	Very high	116 Å²	116	55.9 Å²	55.9	44%	0.438	26%	0.264	S	S	.	.	H	α-helix	trans	-59.6	-44	174.4	-161.2	-171.1	-40.1	109.8	6.3	111.8	E834 E835 L836 N842	E834-R838 PolarHBondContact O-N 2.78Å; E834-R838 IonicContact OE1-NH2 3.03Å; E834-R838 PolarHBondContact OE1-NH2 2.67Å; E835-R838 WeakPolarHBondContact O-CB 3.36Å; E835-R838 PolarHBondContact O-N 3.41Å; L836-R838 VanDerWaalsContact C-N 3.3Å; L836-R838 PolarHBondContact O-N 2.75Å; R838-N842 WeakPolarHBondContact O-CB 3.48Å; R838-N842 PolarHBondContact O-N 2.87Å; R838-N842 PolarHBondContact O-ND2 2.71Å; R838-N842 PolarHBondContact O-OD1 3.46Å
839	H	94	Very high	92.9	Very high	56 Å²	56	57.2 Å²	57.2	26%	0.259	27%	0.27	S	S	.	.	H	α-helix	trans	-63.1	-49.2	176.6	176.5	69	0	0	0	112.1	R523 T524 E835 L836 C837 N841 N842 R843	R523-H839 PolarHBondContact O-CD2 3.19Å; R523-H839 VanDerWaalsContact O-CD2 3.23Å; R523-H839 PolarHBondContact O-NE2 2.96Å; T524-H839 PolarHBondContact O-CE1 3.45Å; T524-H839 PolarHBondContact O-NE2 2.57Å; E835-H839 PolarHBondContact O-N 3.25Å; L836-H839 WeakPolarHBondContact O-CB 3.47Å; L836-H839 PolarHBondContact O-N 3.16Å; L836-H839 VanDerWaalsContact O-N 3.11Å; C837-H839 VanDerWaalsContact C-N 3.33Å; C837-H839 PolarHBondContact O-N 3.42Å; H839-N841 VanDerWaalsContact C-N 3.34Å; H839-N841 PolarHBondContact O-N 3.44Å; H839-N842 PolarHBondContact O-N 3.21Å; H839-N842 VanDerWaalsContact O-N 3.15Å; H839-R843 WeakPolarHBondContact O-CG 3.47Å; H839-R843 PolarHBondContact O-N 3.42Å
840	I	96.6	Very high	93.2	Very high	5 Å²	5	55 Å²	55	3%	0.026	26%	0.255	C	S	.	.	H	α-helix	trans	-59.7	-44.9	177.7	-62.5	168.2	0	0	0	110.3	A526 L705 Y771 Y802 L836 C837 N842 R843 N844	A526-I840 HydrophobicContact CB-CG1 4.17Å; L705-I840 HydrophobicContact CD1-CD1 4.24Å; Y771-I840 HydrophobicContact CD2-CB 4.2Å; Y771-I840 HydrophobicContact CD2-CG2 3.42Å; Y771-I840 VanDerWaalsContact CD2-CG2 3.42Å; Y771-I840 HydrophobicContact CE2-CG2 3.38Å; Y771-I840 HydrophobicContact CG-CG2 4.25Å; Y802-I840 HydrophobicContact CD1-CD1 4.35Å; L836-I840 HydrophobicContact CD1-CD1 4.02Å; L836-I840 HydrophobicContact CD1-CG1 4.11Å; L836-I840 HydrophobicContact CD2-CD1 4.5Å; L836-I840 HydrophobicContact CG-CD1 3.84Å; L836-I840 HydrophobicContact CG-CG1 4.36Å; L836-I840 WeakPolarHBondContact O-CG1 3.39Å; L836-I840 PolarHBondContact O-N 3.15Å; C837-I840 PolarHBondContact O-N 3.45Å; I840-N842 VanDerWaalsContact C-N 3.32Å; I840-N842 PolarHBondContact O-N 2.89Å; I840-R843 PolarHBondContact O-N 3.42Å; I840-N844 VanDerWaalsContact O-CB 3.3Å; I840-N844 WeakPolarHBondContact O-CB 3.41Å; I840-N844 PolarHBondContact O-N 2.93Å
841	N	96.1	Very high	93.4	Very high	18 Å²	18	57 Å²	57	10%	0.096	26%	0.263	C	S	.	.	H	α-helix	trans	-60.9	-38.1	176.6	-76	-34.4	0	0	0	113	L770 Y771 C837 H839 R845	L770-N841 WeakPolarHBondContact CA-OD1 3.31Å; L770-N841 HydrophobicContact CD2-CB 4.37Å; Y771-N841 VanDerWaalsContact CD2-OD1 3.3Å; Y771-N841 WeakPolarHBondContact CD2-OD1 3.37Å; Y771-N841 PolarHBondContact N-ND2 3.14Å; Y771-N841 PolarHBondContact N-OD1 3.5Å; Y771-N841 PolarHBondContact O-ND2 3.29Å; C837-N841 WeakPolarHBondContact O-CB 3.44Å; C837-N841 VanDerWaalsContact O-CG 3.22Å; C837-N841 PolarHBondContact O-N 2.88Å; C837-N841 PolarHBondContact O-ND2 2.81Å; C837-N841 VanDerWaalsContact O-ND2 3.08Å; H839-N841 VanDerWaalsContact C-N 3.34Å; H839-N841 PolarHBondContact O-N 3.44Å; N841-R845 WeakPolarHBondContact O-CG 3.42Å; N841-R845 PolarHBondContact O-N 2.56Å; N841-R845 PolarHBondContact O-NE 3.25Å; N841-R845 VanDerWaalsContact O-NE 3.13Å
842	N	93.1	Very high	93.5	Very high	77 Å²	77	55.9 Å²	55.9	41%	0.412	26%	0.258	S	S	.	.	H	α-helix	trans	-68.1	-46.6	176.4	-69.1	-13.3	0	0	0	111.1	R838 H839 I840 R845 A846	R838-N842 WeakPolarHBondContact O-CB 3.48Å; R838-N842 PolarHBondContact O-N 2.87Å; R838-N842 PolarHBondContact O-ND2 2.71Å; R838-N842 PolarHBondContact O-OD1 3.46Å; H839-N842 PolarHBondContact O-N 3.21Å; H839-N842 VanDerWaalsContact O-N 3.15Å; I840-N842 VanDerWaalsContact C-N 3.32Å; I840-N842 PolarHBondContact O-N 2.89Å; N842-R845 PolarHBondContact O-N 3.08Å; N842-R845 PolarHBondContact OD1-NH2 3.17Å; N842-A846 PolarHBondContact O-N 2.9Å
843	R	94.8	Very high	93.6	Very high	51 Å²	51	52.7 Å²	52.7	19%	0.192	24%	0.24	C	C	.	.	H	α-helix	trans	-65.2	-39.8	179	-71.1	-59.4	-165.1	-162	-1.4	112.7	S432 T524 A526 H839 I840 A846 A847	S432-R843 PolarHBondContact O-NH1 3.27Å; T524-R843 PolarHBondContact O-NE 3.28Å; A526-R843 HydrophobicContact CB-CB 3.74Å; A526-R843 HydrophobicContact CB-CG 3.88Å; H839-R843 WeakPolarHBondContact O-CG 3.47Å; H839-R843 PolarHBondContact O-N 3.42Å; I840-R843 PolarHBondContact O-N 3.42Å; R843-A846 PolarHBondContact O-N 3.46Å; R843-A847 WeakPolarHBondContact O-CB 3.5Å; R843-A847 PolarHBondContact O-N 2.7Å
844	N	94.3	Very high	93.7	Very high	31 Å²	31	52.6 Å²	52.6	17%	0.166	24%	0.24	C	C	.	.	H	α-helix	trans	-63.4	-43.4	176.4	-170.5	26.9	0	0	0	111.6	I840 A846 A847 Q848	I840-N844 VanDerWaalsContact O-CB 3.3Å; I840-N844 WeakPolarHBondContact O-CB 3.41Å; I840-N844 PolarHBondContact O-N 2.93Å; N844-A846 PolarHBondContact O-N 3.39Å; N844-A847 WeakPolarHBondContact O-CB 3.49Å; N844-A847 PolarHBondContact O-N 3.17Å; N844-Q848 WeakPolarHBondContact O-CG 3.5Å; N844-Q848 PolarHBondContact O-N 2.7Å
845	R	93.4	Very high	93.5	Very high	123 Å²	123	50.2 Å²	50.2	46%	0.464	23%	0.231	S	C	.	.	H	α-helix	trans	-63.3	-41.7	174.7	-76.1	-177.8	-74.1	162.7	-9.5	112.5	N841 N842 A847 Q848 H849	N841-R845 WeakPolarHBondContact O-CG 3.42Å; N841-R845 PolarHBondContact O-N 2.56Å; N841-R845 PolarHBondContact O-NE 3.25Å; N841-R845 VanDerWaalsContact O-NE 3.13Å; N842-R845 PolarHBondContact O-N 3.08Å; N842-R845 PolarHBondContact OD1-NH2 3.17Å; R845-A847 VanDerWaalsContact C-N 3.34Å; R845-Q848 PolarHBondContact O-N 3.29Å; R845-H849 WeakPolarHBondContact O-CB 3.43Å; R845-H849 PolarHBondContact O-N 2.92Å
846	A	93.7	Very high	93.5	Very high	14 Å²	14	48.9 Å²	48.9	12%	0.116	23%	0.225	C	C	.	.	H	α-helix	trans	-61.4	-43.3	174.6	0	0	0	0	0	111.6	N431 I433 N842 R843 N844 H849 S850	N431-A846 HydrophobicContact CB-CB 4.32Å; N431-A846 WeakPolarHBondContact O-CB 3.44Å; I433-A846 HydrophobicContact CD1-CB 4.24Å; I433-A846 HydrophobicContact CG1-CB 4.22Å; N842-A846 PolarHBondContact O-N 2.9Å; R843-A846 PolarHBondContact O-N 3.46Å; N844-A846 PolarHBondContact O-N 3.39Å; A846-H849 PolarHBondContact O-N 2.88Å; A846-S850 WeakPolarHBondContact O-CB 3.49Å; A846-S850 PolarHBondContact O-N 3.25Å; A846-S850 PolarHBondContact O-OG 3.11Å
847	A	94.3	Very high	93.4	Very high	8 Å²	8	49.4 Å²	49.4	7%	0.066	23%	0.227	C	C	.	.	H	α-helix	trans	-59.7	-52.1	176.6	0	0	0	0	0	111.6	T527 Y529 R843 N844 R845 H849 S850 Q851	T527-A847 HydrophobicContact CG2-CB 3.69Å; Y529-A847 HydrophobicContact CD1-CB 3.61Å; Y529-A847 HydrophobicContact CE1-CB 3.98Å; R843-A847 WeakPolarHBondContact O-CB 3.5Å; R843-A847 PolarHBondContact O-N 2.7Å; N844-A847 WeakPolarHBondContact O-CB 3.49Å; N844-A847 PolarHBondContact O-N 3.17Å; R845-A847 VanDerWaalsContact C-N 3.34Å; A847-H849 VanDerWaalsContact C-N 3.33Å; A847-H849 PolarHBondContact O-N 2.86Å; A847-S850 PolarHBondContact O-N 2.87Å; A847-S850 PolarHBondContact O-OG 3.5Å; A847-Q851 WeakPolarHBondContact O-CB 3.22Å; A847-Q851 PolarHBondContact O-N 2.87Å
848	Q	92.4	Very high	93.1	Very high	96 Å²	96	49.5 Å²	49.5	45%	0.449	23%	0.228	S	C	.	.	H	α-helix	trans	-60.2	-40.7	178.4	-70.8	177	-21	0	0	112.4	N844 R845 K852	N844-Q848 WeakPolarHBondContact O-CG 3.5Å; N844-Q848 PolarHBondContact O-N 2.7Å; R845-Q848 PolarHBondContact O-N 3.29Å; Q848-K852 PolarHBondContact O-N 3.08Å; Q848-K852 VanDerWaalsContact O-N 3.08Å
849	H	93.1	Very high	93	Very high	77 Å²	77	44.8 Å²	44.8	36%	0.356	21%	0.21	S	C	.	.	H	α-helix	trans	-66.5	-43.8	177.4	-167.2	45.9	0	0	0	111.6	N431 R845 A846 A847 Q851 K852 Q853	N431-H849 WeakPolarHBondContact OD1-CB 3.18Å; N431-H849 PolarHBondContact OD1-CD2 2.94Å; R845-H849 WeakPolarHBondContact O-CB 3.43Å; R845-H849 PolarHBondContact O-N 2.92Å; A846-H849 PolarHBondContact O-N 2.88Å; A847-H849 VanDerWaalsContact C-N 3.33Å; A847-H849 PolarHBondContact O-N 2.86Å; H849-Q851 PolarHBondContact O-N 3.27Å; H849-K852 PolarHBondContact O-N 2.72Å; H849-Q853 PolarHBondContact NE2-NE2 2.71Å; H849-Q853 WeakPolarHBondContact O-CG 3.32Å; H849-Q853 PolarHBondContact O-N 3.03Å
850	S	95	Very high	92.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.3	-39.6	176.9	70.4	0	0	0	0	112.9	A846 A847 Q853 S854	A846-S850 WeakPolarHBondContact O-CB 3.49Å; A846-S850 PolarHBondContact O-N 3.25Å; A846-S850 PolarHBondContact O-OG 3.11Å; A847-S850 PolarHBondContact O-N 2.87Å; A847-S850 PolarHBondContact O-OG 3.5Å; S850-Q853 PolarHBondContact O-N 3.5Å; S850-S854 WeakPolarHBondContact O-CB 3.38Å; S850-S854 PolarHBondContact O-N 2.84Å
851	Q	92.4	Very high	92.4	Very high	93 Å²	93	44.2 Å²	44.2	44%	0.435	21%	0.208	S	C	.	.	H	α-helix	trans	-62	-48.2	175.5	-176.4	177.4	3.4	0	0	110.6	Y530 A847 H849 Q853 S854 T855	Y530-Q851 VanDerWaalsContact O-CB 3.28Å; Y530-Q851 WeakPolarHBondContact O-CB 3.34Å; Y530-Q851 VanDerWaalsContact O-CG 3.31Å; Y530-Q851 WeakPolarHBondContact O-CG 3.48Å; A847-Q851 WeakPolarHBondContact O-CB 3.22Å; A847-Q851 PolarHBondContact O-N 2.87Å; H849-Q851 PolarHBondContact O-N 3.27Å; Q851-Q853 PolarHBondContact O-N 2.78Å; Q851-S854 WeakPolarHBondContact O-CB 3.46Å; Q851-S854 PolarHBondContact O-N 2.91Å; Q851-T855 PolarHBondContact O-N 3.1Å; Q851-T855 PolarHBondContact O-OG1 3.43Å
852	K	90.5	Very high	92.1	Very high	125 Å²	125	43.8 Å²	43.8	54%	0.543	21%	0.205	S	C	.	.	H	α-helix	trans	-59.7	-46.5	177.5	-178	178.3	174.1	-178.7	0	112	Q848 H849 S854 T855 E856	Q848-K852 PolarHBondContact O-N 3.08Å; Q848-K852 VanDerWaalsContact O-N 3.08Å; H849-K852 PolarHBondContact O-N 2.72Å; K852-S854 VanDerWaalsContact C-N 3.31Å; K852-S854 PolarHBondContact O-N 3.02Å; K852-T855 PolarHBondContact O-N 2.98Å; K852-E856 WeakPolarHBondContact CE-OE1 3.45Å; K852-E856 IonicContact NZ-OE1 3.16Å; K852-E856 WeakPolarHBondContact O-CG 3.4Å; K852-E856 PolarHBondContact O-N 2.7Å
853	Q	93.1	Very high	91.9	Very high	16 Å²	16	40.2 Å²	40.2	8%	0.075	19%	0.187	C	C	.	.	H	α-helix	trans	-64.7	-35.8	178.2	-72.9	174.2	-44.4	0	0	112.3	I427 N431 H849 S850 Q851 E856 L857	I427-Q853 HydrophobicContact CD1-CB 4.16Å; I427-Q853 HydrophobicContact CG1-CB 4.18Å; I427-Q853 HydrophobicContact CG2-CB 3.98Å; N431-Q853 PolarHBondContact ND2-OE1 3.04Å; H849-Q853 PolarHBondContact NE2-NE2 2.71Å; H849-Q853 WeakPolarHBondContact O-CG 3.32Å; H849-Q853 PolarHBondContact O-N 3.03Å; S850-Q853 PolarHBondContact O-N 3.5Å; Q851-Q853 PolarHBondContact O-N 2.78Å; Q853-E856 PolarHBondContact O-N 3.25Å; Q853-L857 WeakPolarHBondContact O-CB 3.27Å; Q853-L857 PolarHBondContact O-N 2.77Å
854	S	93.3	Very high	91.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.5	-47.1	173	179.1	0	0	0	0	110.9	A532 S850 Q851 K852 E856 L857 F858	A532-S854 PolarHBondContact N-OG 2.91Å; S850-S854 WeakPolarHBondContact O-CB 3.38Å; S850-S854 PolarHBondContact O-N 2.84Å; Q851-S854 WeakPolarHBondContact O-CB 3.46Å; Q851-S854 PolarHBondContact O-N 2.91Å; K852-S854 VanDerWaalsContact C-N 3.31Å; K852-S854 PolarHBondContact O-N 3.02Å; S854-E856 VanDerWaalsContact C-N 3.32Å; S854-E856 PolarHBondContact O-N 3.24Å; S854-L857 WeakPolarHBondContact O-CB 3.47Å; S854-L857 PolarHBondContact O-N 3.25Å; S854-L857 VanDerWaalsContact O-N 3.15Å; S854-F858 VanDerWaalsContact O-CD2 3.31Å; S854-F858 WeakPolarHBondContact O-CD2 3.33Å; S854-F858 PolarHBondContact O-N 3.05Å
855	T	90	Very high	90.5	Very high	33 Å²	33	48.1 Å²	48.1	20%	0.202	23%	0.228	C	C	.	.	H	α-helix	trans	-58.3	-44.1	174.9	-56.3	0	0	0	0	111.8	Q851 K852 L857 F858 Q859	Q851-T855 PolarHBondContact O-N 3.1Å; Q851-T855 PolarHBondContact O-OG1 3.43Å; K852-T855 PolarHBondContact O-N 2.98Å; T855-L857 VanDerWaalsContact C-N 3.34Å; T855-L857 PolarHBondContact O-N 3.08Å; T855-F858 PolarHBondContact O-N 3.14Å; T855-Q859 HydrophobicContact CG2-CG 4.43Å; T855-Q859 WeakPolarHBondContact O-CB 3.34Å; T855-Q859 VanDerWaalsContact O-CG 3.26Å; T855-Q859 WeakPolarHBondContact O-CG 3.44Å; T855-Q859 PolarHBondContact O-N 2.81Å
856	E	91	Very high	90	Very high	75 Å²	75	43.9 Å²	43.9	35%	0.35	21%	0.213	S	C	.	.	H	α-helix	trans	-60.8	-40.1	176	-72.9	172.9	-178.4	0	0	112.2	K852 Q853 S854 Q859 C860	K852-E856 WeakPolarHBondContact CE-OE1 3.45Å; K852-E856 IonicContact NZ-OE1 3.16Å; K852-E856 WeakPolarHBondContact O-CG 3.4Å; K852-E856 PolarHBondContact O-N 2.7Å; Q853-E856 PolarHBondContact O-N 3.25Å; S854-E856 VanDerWaalsContact C-N 3.32Å; S854-E856 PolarHBondContact O-N 3.24Å; E856-Q859 PolarHBondContact O-N 3.37Å; E856-C860 PolarHBondContact O-N 2.99Å; E856-C860 PolarHBondContact O-SG 2.56Å
857	L	91.7	Very high	89.1	Confident	21 Å²	21	46.9 Å²	46.9	11%	0.11	23%	0.227	C	C	.	.	H	α-helix	trans	-61.2	-48.5	174.9	177.5	66.2	0	0	0	111.5	L420 E423 I424 I427 Q853 S854 T855 Q859 C860 M861	L420-L857 HydrophobicContact CD1-CD2 4.33Å; E423-L857 HydrophobicContact CB-CD1 4.2Å; E423-L857 HydrophobicContact CB-CD2 3.83Å; E423-L857 HydrophobicContact CG-CD1 4.49Å; I424-L857 HydrophobicContact CD1-CD2 3.92Å; I424-L857 HydrophobicContact CG1-CD2 4.44Å; I427-L857 HydrophobicContact CD1-CB 4.35Å; I427-L857 HydrophobicContact CD1-CD2 4Å; Q853-L857 WeakPolarHBondContact O-CB 3.27Å; Q853-L857 PolarHBondContact O-N 2.77Å; S854-L857 WeakPolarHBondContact O-CB 3.47Å; S854-L857 PolarHBondContact O-N 3.25Å; S854-L857 VanDerWaalsContact O-N 3.15Å; T855-L857 VanDerWaalsContact C-N 3.34Å; T855-L857 PolarHBondContact O-N 3.08Å; L857-Q859 VanDerWaalsContact C-N 3.34Å; L857-Q859 PolarHBondContact O-N 3.32Å; L857-C860 WeakPolarHBondContact O-CB 3.49Å; L857-C860 PolarHBondContact O-N 3.37Å; L857-M861 HydrophobicContact CD1-CE 3.97Å; L857-M861 HydrophobicContact CD2-CE 4.28Å; L857-M861 HydrophobicContact CG-CE 4.06Å; L857-M861 HydrophobicContact CG-SD 4.45Å; L857-M861 WeakPolarHBondContact O-CG 3.18Å; L857-M861 PolarHBondContact O-N 2.94Å
858	F	89.9	Confident	88.2	Confident	5 Å²	5	48.3 Å²	48.3	2%	0.022	24%	0.236	C	C	.	.	H	α-helix	trans	-67.2	-35.6	179.1	-84.7	-97.8	0	0	0	112.2	L420 I424 A532 D533 V658 L660 I666 S854 T855 C860 M861 Y862	L420-F858 HydrophobicContact CD1-CE2 4.04Å; L420-F858 HydrophobicContact CD1-CZ 3.85Å; L420-F858 HydrophobicContact CD2-CZ 4.42Å; I424-F858 HydrophobicContact CD1-CE2 4.3Å; A532-F858 HydrophobicContact CB-CB 4.25Å; A532-F858 HydrophobicContact CB-CD1 4.42Å; A532-F858 HydrophobicContact CB-CD2 3.47Å; A532-F858 VanDerWaalsContact CB-CD2 3.47Å; A532-F858 HydrophobicContact CB-CE2 3.85Å; A532-F858 HydrophobicContact CB-CG 3.78Å; D533-F858 HydrophobicContact CB-CE1 3.98Å; D533-F858 HydrophobicContact CB-CE2 4.23Å; D533-F858 HydrophobicContact CB-CZ 3.45Å; D533-F858 VanDerWaalsContact CB-CZ 3.45Å; V658-F858 HydrophobicContact CG1-CB 4.33Å; V658-F858 HydrophobicContact CG1-CD1 3.79Å; V658-F858 HydrophobicContact CG1-CG 4.38Å; V658-F858 HydrophobicContact CG2-CB 3.82Å; V658-F858 HydrophobicContact CG2-CG 4.34Å; L660-F858 HydrophobicContact CD2-CD1 4.43Å; L660-F858 HydrophobicContact CD2-CE1 4.11Å; I666-F858 HydrophobicContact CD1-CB 4.26Å; I666-F858 HydrophobicContact CD1-CD1 3.6Å; I666-F858 HydrophobicContact CD1-CE1 4.4Å; I666-F858 HydrophobicContact CD1-CG 4.33Å; I666-F858 VanDerWaalsContact CD1-O 3.31Å; I666-F858 WeakPolarHBondContact CD1-O 3.38Å; I666-F858 HydrophobicContact CG1-CD1 3.92Å; I666-F858 HydrophobicContact CG1-CE1 4.41Å; S854-F858 VanDerWaalsContact O-CD2 3.31Å; S854-F858 WeakPolarHBondContact O-CD2 3.33Å; S854-F858 PolarHBondContact O-N 3.05Å; T855-F858 PolarHBondContact O-N 3.14Å; F858-C860 VanDerWaalsContact C-N 3.33Å; F858-C860 PolarHBondContact O-N 2.95Å; F858-M861 PolarHBondContact O-N 3.28Å; F858-Y862 WeakPolarHBondContact O-CB 3.18Å; F858-Y862 PolarHBondContact O-N 3.48Å
859	Q	90	Very high	86.9	Confident	17 Å²	17	47.5 Å²	47.5	8%	0.079	25%	0.246	C	C	.	.	H	α-helix	trans	-60	-44.4	170.6	-72.1	172.4	-22.8	0	0	110.9	L669 T855 E856 L857 Y862 F863 F895 I967	L669-Q859 HydrophobicContact CD1-CB 4.45Å; L669-Q859 HydrophobicContact CD1-CG 4.07Å; T855-Q859 HydrophobicContact CG2-CG 4.43Å; T855-Q859 WeakPolarHBondContact O-CB 3.34Å; T855-Q859 VanDerWaalsContact O-CG 3.26Å; T855-Q859 WeakPolarHBondContact O-CG 3.44Å; T855-Q859 PolarHBondContact O-N 2.81Å; E856-Q859 PolarHBondContact O-N 3.37Å; L857-Q859 VanDerWaalsContact C-N 3.34Å; L857-Q859 PolarHBondContact O-N 3.32Å; Q859-Y862 PolarHBondContact O-N 3.14Å; Q859-F863 WeakPolarHBondContact O-CD2 3.4Å; Q859-F895 PolarHBondContact NE2-O 2.84Å; Q859-I967 HydrophobicContact CB-CD1 3.82Å
860	C	90.8	Very high	85.6	Confident	3 Å²	3	49 Å²	49	2%	0.02	26%	0.26	C	S	.	.	H	α-helix	trans	-63.2	-46.9	175.9	-65.8	0	0	0	0	111.8	E856 L857 F858 Y862 F863 K864 V957 D965	E856-C860 PolarHBondContact O-N 2.99Å; E856-C860 PolarHBondContact O-SG 2.56Å; L857-C860 WeakPolarHBondContact O-CB 3.49Å; L857-C860 PolarHBondContact O-N 3.37Å; F858-C860 VanDerWaalsContact C-N 3.33Å; F858-C860 PolarHBondContact O-N 2.95Å; C860-Y862 VanDerWaalsContact C-N 3.28Å; C860-Y862 PolarHBondContact O-N 3.08Å; C860-F863 PolarHBondContact O-N 3.33Å; C860-F863 VanDerWaalsContact O-N 3.13Å; C860-K864 WeakPolarHBondContact O-CB 3.37Å; C860-K864 PolarHBondContact O-N 3.15Å; C860-V957 HydrophobicContact CB-CG1 4.37Å; C860-V957 VanDerWaalsContact O-CG2 3.26Å; C860-V957 WeakPolarHBondContact O-CG2 3.32Å; C860-D965 HydrophobicContact CB-CB 4.13Å; C860-D965 PolarHBondContact SG-O 3.43Å
861	M	88.4	Confident	84.6	Confident	45 Å²	45	51.9 Å²	51.9	22%	0.222	27%	0.273	C	S	.	.	H	α-helix	trans	-58.4	-39.4	178.2	-72.6	-176.4	172.1	0	0	112.3	L420 I666 L857 F858 F863 K864	L420-M861 HydrophobicContact CB-CE 4.16Å; L420-M861 HydrophobicContact CD1-CE 3.7Å; L420-M861 HydrophobicContact CD1-SD 3.92Å; I666-M861 HydrophobicContact CD1-CB 3.59Å; L857-M861 HydrophobicContact CD1-CE 3.97Å; L857-M861 HydrophobicContact CD2-CE 4.28Å; L857-M861 HydrophobicContact CG-CE 4.06Å; L857-M861 HydrophobicContact CG-SD 4.45Å; L857-M861 WeakPolarHBondContact O-CG 3.18Å; L857-M861 PolarHBondContact O-N 2.94Å; F858-M861 PolarHBondContact O-N 3.28Å; M861-F863 PolarHBondContact O-N 2.66Å; M861-K864 PolarHBondContact O-N 3.23Å
862	Y	88	Confident	83.7	Confident	9 Å²	9	52.9 Å²	52.9	4%	0.035	28%	0.278	C	S	.	.	H	α-helix	trans	-60.5	-29.5	177.8	178.6	-103.1	0	0	0	114.1	I666 D668 L669 F858 Q859 C860 K866 F895	I666-Y862 HydrophobicContact CB-CD2 4.3Å; I666-Y862 HydrophobicContact CG2-CD2 3.6Å; I666-Y862 HydrophobicContact CG2-CE2 4.46Å; I666-Y862 HydrophobicContact CG2-CG 4.28Å; D668-Y862 PolarHBondContact OD1-OH 3.3Å; L669-Y862 HydrophobicContact CD1-CD1 3.61Å; L669-Y862 HydrophobicContact CD1-CE1 4.2Å; L669-Y862 HydrophobicContact CD1-CG 3.81Å; L669-Y862 HydrophobicContact CG-CD1 4.09Å; L669-Y862 HydrophobicContact CG-CD2 4.29Å; L669-Y862 HydrophobicContact CG-CE1 4.44Å; L669-Y862 HydrophobicContact CG-CG 3.97Å; F858-Y862 WeakPolarHBondContact O-CB 3.18Å; F858-Y862 PolarHBondContact O-N 3.48Å; Q859-Y862 PolarHBondContact O-N 3.14Å; C860-Y862 VanDerWaalsContact C-N 3.28Å; C860-Y862 PolarHBondContact O-N 3.08Å; Y862-K866 VanDerWaalsContact CD2-NZ 3.32Å; Y862-K866 WeakPolarHBondContact O-CD 3.49Å; Y862-K866 VanDerWaalsContact O-CE 3.3Å; Y862-K866 WeakPolarHBondContact O-CE 3.32Å; Y862-K866 PolarHBondContact O-NZ 3.23Å; Y862-K866 PolarHBondContact OH-NZ 3.01Å; Y862-F895 AromaticContact CE1-CE1 3.99Å; Y862-F895 HydrophobicContact CE1-CE1 3.99Å; Y862-F895 HydrophobicContact CE1-CZ 4.4Å
863	F	89.4	Confident	83.2	Confident	3 Å²	3	52.8 Å²	52.8	1%	0.013	27%	0.274	C	S	.	.	H	α-helix	trans	-100.4	-8.1	179.2	-67.3	-69.3	0	0	0	113.7	L669 Q859 C860 M861 F895 I897 I955 V957 I967	L669-F863 HydrophobicContact CD1-CE2 4.36Å; Q859-F863 WeakPolarHBondContact O-CD2 3.4Å; C860-F863 PolarHBondContact O-N 3.33Å; C860-F863 VanDerWaalsContact O-N 3.13Å; M861-F863 PolarHBondContact O-N 2.66Å; F863-F895 HydrophobicContact CE1-CE2 4.24Å; F863-F895 HydrophobicContact CE1-CZ 4.32Å; F863-F895 HydrophobicContact CZ-CD1 4.22Å; F863-F895 AromaticContact CZ-CD2 3.8Å; F863-F895 HydrophobicContact CZ-CD2 3.8Å; F863-F895 HydrophobicContact CZ-CE1 4.18Å; F863-F895 AromaticContact CZ-CE2 3.77Å; F863-F895 HydrophobicContact CZ-CE2 3.77Å; F863-F895 HydrophobicContact CZ-CG 4.02Å; F863-F895 AromaticContact CZ-CZ 3.95Å; F863-F895 HydrophobicContact CZ-CZ 3.95Å; F863-I897 HydrophobicContact CE2-CD1 3.75Å; F863-I897 HydrophobicContact CZ-CD1 4.4Å; F863-I955 HydrophobicContact CD1-CB 4.38Å; F863-I955 HydrophobicContact CD1-CG2 4.04Å; F863-I955 HydrophobicContact CD2-CG2 3.81Å; F863-I955 HydrophobicContact CE1-CB 4.25Å; F863-I955 HydrophobicContact CE1-CD1 4.1Å; F863-I955 HydrophobicContact CE1-CG2 4.06Å; F863-I955 HydrophobicContact CE2-CD1 4.46Å; F863-I955 HydrophobicContact CE2-CG2 3.88Å; F863-I955 HydrophobicContact CG-CG2 3.93Å; F863-I955 HydrophobicContact CZ-CB 4.5Å; F863-I955 HydrophobicContact CZ-CD1 3.81Å; F863-I955 HydrophobicContact CZ-CG2 4Å; F863-V957 HydrophobicContact CB-CG2 3.62Å; F863-I967 HydrophobicContact CD2-CD1 4.34Å
864	K	84.4	Confident	82.7	Confident	94 Å²	94	52 Å²	52	41%	0.409	27%	0.271	S	S	.	.	H	α-helix	trans	-69.3	-40.7	-171.5	-170.8	168.4	-174.4	158.8	0	113.2	C860 M861 K866 V957 D965	C860-K864 WeakPolarHBondContact O-CB 3.37Å; C860-K864 PolarHBondContact O-N 3.15Å; M861-K864 PolarHBondContact O-N 3.23Å; K864-K866 VanDerWaalsContact C-N 3.32Å; K864-V957 HydrophobicContact CB-CG2 4.33Å; K864-D965 IonicContact NZ-OD2 3.64Å; K864-D965 PolarHBondContact NZ-OD2 3.12Å
865	D	76.6	Confident	82.4	Confident	154 Å²	154	53.9 Å²	53.9	82%	0.824	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	4.4	-176.3	-61.7	-31.2	0	0	0	113.3
866	K	81.1	Confident	82.3	Confident	33 Å²	33	52.6 Å²	52.6	14%	0.143	27%	0.273	C	S	.	.	S	Bend	trans	-102.1	136.5	-176.7	-65.9	-176.8	174.7	143.6	0	110.8	Y862 K864 P868 E871	Y862-K866 VanDerWaalsContact CD2-NZ 3.32Å; Y862-K866 WeakPolarHBondContact O-CD 3.49Å; Y862-K866 VanDerWaalsContact O-CE 3.3Å; Y862-K866 WeakPolarHBondContact O-CE 3.32Å; Y862-K866 PolarHBondContact O-NZ 3.23Å; Y862-K866 PolarHBondContact OH-NZ 3.01Å; K864-K866 VanDerWaalsContact C-N 3.32Å; K866-P868 WeakPolarHBondContact O-CD 3.45Å; K866-E871 VanDerWaalsContact CA-OE1 3.31Å; K866-E871 WeakPolarHBondContact CA-OE1 3.48Å; K866-E871 WeakPolarHBondContact CB-OE2 3.24Å; K866-E871 WeakPolarHBondContact CD-OE2 3.46Å; K866-E871 WeakPolarHBondContact CG-OE2 3.34Å
867	D	75.5	Confident	82.2	Confident	77 Å²	77	50.1 Å²	50.1	41%	0.412	26%	0.262	S	S	.	.			trans	-77.3	113.4	174.6	-177.6	-10.3	0	0	0	110.1	A869 T870 E871	D867-A869 PolarHBondContact O-N 3.32Å; D867-A869 VanDerWaalsContact O-N 3.09Å; D867-A869 WeakPolarHBondContact OD1-CB 3.44Å; D867-A869 PolarHBondContact OD1-N 3.45Å; D867-T870 WeakPolarHBondContact CB-OG1 3.42Å; D867-T870 PolarHBondContact O-N 2.69Å; D867-E871 PolarHBondContact N-OE1 3.14Å; D867-E871 WeakPolarHBondContact O-CB 3.42Å; D867-E871 PolarHBondContact O-N 3.06Å
868	P	74.9	Confident	82.2	Confident	39 Å²	39	49.1 Å²	49.1	25%	0.253	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-16.6	-178.6	-19.9	33.8	0	0	0	114.3	K866 C874 R954	K866-P868 WeakPolarHBondContact O-CD 3.45Å; P868-C874 HydrophobicContact CB-CB 4.5Å; P868-R954 HydrophobicContact CB-CG 4.16Å; P868-R954 PolarHBondContact O-NE 2.89Å
869	A	65.9	Low	82.2	Confident	79 Å²	79	48.9 Å²	48.9	65%	0.653	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-30.4	-178.1	0	0	0	0	0	113.2	D867	D867-A869 PolarHBondContact O-N 3.32Å; D867-A869 VanDerWaalsContact O-N 3.09Å; D867-A869 WeakPolarHBondContact OD1-CB 3.44Å; D867-A869 PolarHBondContact OD1-N 3.45Å
870	T	64.9	Low	82.2	Confident	107 Å²	107	48 Å²	48	66%	0.656	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-24.9	-174.9	59.9	0	0	0	0	113.7	D867	D867-T870 WeakPolarHBondContact CB-OG1 3.42Å; D867-T870 PolarHBondContact O-N 2.69Å
871	E	75.4	Confident	82.1	Confident	61 Å²	61	49 Å²	49	29%	0.285	26%	0.255	S	S	.	.			trans	-90.3	122.1	-175.7	-70.9	-170.8	-146.5	0	0	113.3	K866 D867 R873 C874	K866-E871 VanDerWaalsContact CA-OE1 3.31Å; K866-E871 WeakPolarHBondContact CA-OE1 3.48Å; K866-E871 WeakPolarHBondContact CB-OE2 3.24Å; K866-E871 WeakPolarHBondContact CD-OE2 3.46Å; K866-E871 WeakPolarHBondContact CG-OE2 3.34Å; D867-E871 PolarHBondContact N-OE1 3.14Å; D867-E871 WeakPolarHBondContact O-CB 3.42Å; D867-E871 PolarHBondContact O-N 3.06Å; E871-R873 PolarHBondContact O-N 3.18Å; E871-C874 PolarHBondContact O-N 3.4Å; E871-C874 VanDerWaalsContact O-N 3.11Å
872	E	73.6	Confident	81.9	Confident	114 Å²	114	47.2 Å²	47.2	53%	0.533	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-60.4	-26.8	176	-167.5	170.1	-155.1	0	0	112.5	C874 I875 Y977	E872-C874 PolarHBondContact O-N 3.47Å; E872-I875 PolarHBondContact O-N 3.01Å; E872-I875 VanDerWaalsContact O-N 3.09Å; E872-I875 VanDerWaalsContact O-O 3.11Å; E872-Y977 VanDerWaalsContact CD-OH 3.31Å; E872-Y977 WeakPolarHBondContact CG-OH 3.34Å; E872-Y977 PolarHBondContact OE1-OH 3.11Å
873	R	78.3	Confident	81.8	Confident	123 Å²	123	47.1 Å²	47.1	46%	0.464	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-68.4	-20.7	178.4	-61.6	-177.4	-174.4	-164.8	3.2	113.7	E871 I875	E871-R873 PolarHBondContact O-N 3.18Å; R873-I875 VanDerWaalsContact C-N 3.28Å
874	C	83.3	Confident	81.6	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-86.5	-0.6	174.9	-67.7	0	0	0	0	112.6	P868 E871 E872 R954 I955	P868-C874 HydrophobicContact CB-CB 4.5Å; E871-C874 PolarHBondContact O-N 3.4Å; E871-C874 VanDerWaalsContact O-N 3.11Å; E872-C874 PolarHBondContact O-N 3.47Å; C874-R954 CarbonylContact O-C 3.51Å; C874-R954 WeakPolarHBondContact O-CA 3.43Å; C874-I955 PolarHBondContact O-N 3.42Å
875	I	87.5	Confident	81.3	Confident	39 Å²	39	47.7 Å²	47.7	20%	0.2	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	128.5	175	-56.8	176.9	0	0	0	108	E872 R873 T952 V953 I972 Y977	E872-I875 PolarHBondContact O-N 3.01Å; E872-I875 VanDerWaalsContact O-N 3.09Å; E872-I875 VanDerWaalsContact O-O 3.11Å; R873-I875 VanDerWaalsContact C-N 3.28Å; I875-T952 HydrophobicContact CG2-CG2 3.43Å; I875-T952 VanDerWaalsContact CG2-CG2 3.43Å; I875-V953 WeakPolarHBondContact CA-O 3.3Å; I875-I972 HydrophobicContact CD1-CD1 4.48Å; I875-I972 HydrophobicContact CG1-CD1 4.34Å; I875-Y977 HydrophobicContact CB-CE2 4.46Å; I875-Y977 HydrophobicContact CG2-CD2 3.63Å; I875-Y977 HydrophobicContact CG2-CE2 3.74Å; I875-Y977 HydrophobicContact CG2-CG 4.1Å
876	S	87.3	Confident	81.6	Confident	6 Å²	6	42 Å²	42	4%	0.042	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	158.5	178.1	-171.7	0	0	0	0	111.4	I892 V953	S876-I892 WeakPolarHBondContact OG-CG2 3.14Å; S876-V953 PolarHBondContact N-O 3.04Å; S876-V953 PolarHBondContact O-N 3.47Å
877	D	89.6	Confident	81.9	Confident	23 Å²	23	40.5 Å²	40.5	12%	0.123	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	135.5	164.3	-169.7	65.9	0	0	0	109.8	H950 P976 Y977	D877-H950 IonicContact OD1-ND1 2.67Å; D877-H950 IonicContact OD2-CE1 3.76Å; D877-H950 IonicContact OD2-CG 3.6Å; D877-H950 IonicContact OD2-ND1 3.73Å; D877-H950 PolarHBondContact OD2-ND1 3.44Å; D877-P976 VanDerWaalsContact OD1-CA 3.29Å; D877-P976 WeakPolarHBondContact OD1-CA 3.42Å; D877-P976 WeakPolarHBondContact OD1-CB 3.41Å; D877-Y977 PolarHBondContact OD1-N 2.77Å
878	G	90.6	Very high	82.5	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	143.5	178	0	0	0	0	0	111.3	F891 H950 V951	G878-F891 CarbonylContact C-O 3.59Å; G878-F891 VanDerWaalsContact CA-O 3.31Å; G878-F891 WeakPolarHBondContact CA-O 3.34Å; G878-H950 WeakPolarHBondContact O-CA 3.27Å; G878-V951 PolarHBondContact N-O 3.28Å; G878-V951 WeakPolarHBondContact O-CG2 3.49Å; G878-V951 PolarHBondContact O-N 2.89Å
879	V	90.7	Very high	83.2	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.1	-178	-176.2	0	0	0	0	109.8	I753 L757 Y881 V890 F891 F948	I753-V879 HydrophobicContact CD1-CG2 4.48Å; I753-V879 HydrophobicContact CG2-CG2 3.96Å; L757-V879 HydrophobicContact CD2-CG1 4.25Å; V879-Y881 PolarHBondContact O-N 3.28Å; V879-V890 WeakPolarHBondContact O-CA 3.43Å; V879-F891 PolarHBondContact N-O 3.48Å; V879-F891 PolarHBondContact O-N 3.31Å; V879-F948 HydrophobicContact CG1-CB 4.35Å; V879-F948 HydrophobicContact CG1-CD1 4.33Å
880	I	90.5	Very high	84.4	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	116.9	176.4	-64.6	173.3	0	0	0	108.9	I883 V888 V890 F945 L947 F948 D949 V951	I880-I883 HydrophobicContact CG2-CG1 4.38Å; I880-V888 HydrophobicContact CD1-CB 4.48Å; I880-V888 HydrophobicContact CD1-CG1 4.39Å; I880-V888 HydrophobicContact CD1-CG2 4.19Å; I880-V888 HydrophobicContact CG1-CB 4.42Å; I880-V888 HydrophobicContact CG1-CG2 4.19Å; I880-V888 HydrophobicContact CG2-CB 3.99Å; I880-V888 HydrophobicContact CG2-CG1 4.15Å; I880-V890 HydrophobicContact CG1-CG2 4.25Å; I880-F945 HydrophobicContact CD1-CB 3.83Å; I880-F945 HydrophobicContact CD1-CD1 3.99Å; I880-F945 HydrophobicContact CD1-CG 4.28Å; I880-L947 HydrophobicContact CG2-CD2 4.5Å; I880-F948 VanDerWaalsContact O-CA 3.25Å; I880-F948 WeakPolarHBondContact O-CA 3.22Å; I880-F948 PolarHBondContact O-N 2.65Å; I880-D949 HydrophobicContact CD1-CB 4.34Å; I880-D949 PolarHBondContact N-O 3.01Å; I880-D949 VanDerWaalsContact N-O 3.12Å; I880-V951 HydrophobicContact CD1-CG1 3.94Å; I880-V951 HydrophobicContact CD1-CG2 4.48Å; I880-V951 HydrophobicContact CG1-CG1 4.46Å; I880-V951 HydrophobicContact CG1-CG2 4.2Å
881	Y	87.3	Confident	85.6	Confident	24 Å²	24	27.6 Å²	27.6	9%	0.094	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-14.4	179.8	75.2	-91.9	0	0	0	113.7	C723 L757 V879 L889 F891 K898	C723-Y881 PolarHBondContact SG-O 2.92Å; C723-Y881 VanDerWaalsContact SG-O 3.38Å; L757-Y881 HydrophobicContact CD1-CG 4.07Å; V879-Y881 PolarHBondContact O-N 3.28Å; Y881-L889 HydrophobicContact CD1-CB 4.05Å; Y881-L889 WeakPolarHBondContact CD1-O 3.3Å; Y881-L889 HydrophobicContact CE1-CB 3.48Å; Y881-L889 VanDerWaalsContact CE1-CB 3.48Å; Y881-L889 HydrophobicContact CE2-CB 4.04Å; Y881-L889 HydrophobicContact CE2-CD1 4.06Å; Y881-L889 VanDerWaalsContact CZ-CB 3.47Å; Y881-L889 PolarHBondContact N-O 3.05Å; Y881-F891 HydrophobicContact CD1-CB 3.96Å; Y881-F891 HydrophobicContact CE1-CB 4.43Å; Y881-K898 HydrophobicContact CE1-CB 4.47Å; Y881-K898 HydrophobicContact CE1-CG 4.46Å
882	S	85.6	Confident	86.3	Confident	6 Å²	6	24.7 Å²	24.7	4%	0.042	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	148.8	178.7	-160.7	0	0	0	0	112.1	E719 R884 V888 L889	E719-S882 WeakPolarHBondContact OE1-CB 3.46Å; E719-S882 PolarHBondContact OE1-OG 3.11Å; S882-R884 PolarHBondContact OG-NH1 3.45Å; S882-R884 PolarHBondContact OG-NH2 3.34Å; S882-V888 WeakPolarHBondContact O-CA 3.44Å; S882-L889 PolarHBondContact O-N 3.18Å
883	I	85.1	Confident	86.7	Confident	7 Å²	7	20.5 Å²	20.5	4%	0.036	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	135	-176.7	-61.9	175.7	0	0	0	109.8	I880 V888 R928 N931 K932 I933 L947	I880-I883 HydrophobicContact CG2-CG1 4.38Å; I883-V888 HydrophobicContact CG1-CG1 4.32Å; I883-R928 HydrophobicContact CG2-CG 4.19Å; I883-N931 WeakPolarHBondContact CD1-O 3.33Å; I883-K932 VanDerWaalsContact CD1-CA 3.41Å; I883-K932 VanDerWaalsContact CD1-N 3.31Å; I883-I933 HydrophobicContact CG2-CB 3.83Å; I883-I933 HydrophobicContact CG2-CD1 4.46Å; I883-I933 HydrophobicContact CG2-CG2 4.11Å; I883-L947 HydrophobicContact CD1-CD2 4.03Å; I883-L947 HydrophobicContact CD1-CG 3.87Å; I883-L947 HydrophobicContact CG1-CD2 3.78Å; I883-L947 HydrophobicContact CG1-CG 4.2Å
884	R	84.8	Confident	87	Confident	56 Å²	56	18.8 Å²	18.8	21%	0.211	9%	0.091	C	C	.	.			trans	-122.4	174.6	177.4	-61	-75	178.6	-86.2	0.1	109.4	V309 L311 E719 S882 N886 G887 I933	V309-R884 VanDerWaalsContact O-CD 3.32Å; V309-R884 WeakPolarHBondContact O-CD 3.42Å; L311-R884 HydrophobicContact CD1-CB 3.92Å; L311-R884 HydrophobicContact CD1-CG 4.23Å; L311-R884 HydrophobicContact CD2-CB 4.2Å; L311-R884 HydrophobicContact CD2-CG 3.73Å; L311-R884 HydrophobicContact CG-CB 3.64Å; L311-R884 HydrophobicContact CG-CG 3.77Å; E719-R884 IonicContact OE1-CZ 2.62Å; E719-R884 IonicContact OE1-NH1 3.84Å; E719-R884 IonicContact OE1-NH2 2.9Å; E719-R884 PolarHBondContact OE1-NH2 2.77Å; S882-R884 PolarHBondContact OG-NH1 3.45Å; S882-R884 PolarHBondContact OG-NH2 3.34Å; R884-N886 VanDerWaalsContact C-N 3.34Å; R884-N886 PolarHBondContact O-N 2.91Å; R884-G887 CarbonylContact C-O 3.53Å; R884-G887 WeakPolarHBondContact CA-O 3.16Å; R884-G887 PolarHBondContact N-O 3.06Å; R884-I933 WeakPolarHBondContact O-CD1 3.42Å
885	T	79.4	Confident	87.1	Confident	53 Å²	53	18.8 Å²	18.8	33%	0.325	9%	0.091	S	C	.	.	S	Bend	trans	-69.9	-29.5	-173.3	53	0	0	0	0	113.7	V309 A310	V309-T885 HydrophobicContact CB-CG2 4.28Å; V309-T885 HydrophobicContact CG1-CG2 4.45Å; A310-T885 WeakPolarHBondContact CA-OG1 3.39Å; A310-T885 WeakPolarHBondContact CB-OG1 3.49Å
886	N	81.9	Confident	87	Confident	36 Å²	36	17.9 Å²	17.9	19%	0.193	9%	0.092	C	C	.	.	S	Bend	trans	-119.5	6.1	-176.4	59.8	-20.5	0	0	0	113.8	L311 R884 L903	L311-N886 WeakPolarHBondContact CA-OD1 3.17Å; L311-N886 WeakPolarHBondContact CB-OD1 3.4Å; L311-N886 WeakPolarHBondContact CG-OD1 3.17Å; L311-N886 PolarHBondContact N-OD1 3.13Å; L311-N886 PolarHBondContact O-ND2 2.89Å; R884-N886 VanDerWaalsContact C-N 3.34Å; R884-N886 PolarHBondContact O-N 2.91Å; N886-L903 PolarHBondContact O-N 2.82Å
887	G	86.9	Confident	87	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.3	-170.1	-177.2	0	0	0	0	0	114	R884 A901	R884-G887 CarbonylContact C-O 3.53Å; R884-G887 WeakPolarHBondContact CA-O 3.16Å; R884-G887 PolarHBondContact N-O 3.06Å; G887-A901 WeakPolarHBondContact CA-O 3.49Å
888	V	89.1	Confident	87	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	152.7	179.5	-64.7	0	0	0	0	110.7	I880 S882 I883 V890 A901 L903 I933 I971	I880-V888 HydrophobicContact CD1-CB 4.48Å; I880-V888 HydrophobicContact CD1-CG1 4.39Å; I880-V888 HydrophobicContact CD1-CG2 4.19Å; I880-V888 HydrophobicContact CG1-CB 4.42Å; I880-V888 HydrophobicContact CG1-CG2 4.19Å; I880-V888 HydrophobicContact CG2-CB 3.99Å; I880-V888 HydrophobicContact CG2-CG1 4.15Å; S882-V888 WeakPolarHBondContact O-CA 3.44Å; I883-V888 HydrophobicContact CG1-CG1 4.32Å; V888-V890 HydrophobicContact CG2-CG2 3.87Å; V888-A901 HydrophobicContact CG2-CB 4.17Å; V888-A901 PolarHBondContact N-O 3.07Å; V888-A901 PolarHBondContact O-N 2.86Å; V888-L903 HydrophobicContact CG1-CD1 4.18Å; V888-I933 HydrophobicContact CG1-CG2 3.71Å; V888-I971 HydrophobicContact CG2-CD1 3.63Å
889	L	89.4	Confident	86.8	Confident	23 Å²	23	20.6 Å²	20.6	12%	0.12	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	128.4	168.1	-58.3	-176.6	0	0	0	108.9	L311 Y881 S882 G899 A900	L311-L889 HydrophobicContact CD2-CD2 3.82Å; Y881-L889 HydrophobicContact CD1-CB 4.05Å; Y881-L889 WeakPolarHBondContact CD1-O 3.3Å; Y881-L889 HydrophobicContact CE1-CB 3.48Å; Y881-L889 VanDerWaalsContact CE1-CB 3.48Å; Y881-L889 HydrophobicContact CE2-CB 4.04Å; Y881-L889 HydrophobicContact CE2-CD1 4.06Å; Y881-L889 VanDerWaalsContact CZ-CB 3.47Å; Y881-L889 PolarHBondContact N-O 3.05Å; S882-L889 PolarHBondContact O-N 3.18Å; L889-G899 WeakPolarHBondContact CA-O 3.4Å; L889-A900 HydrophobicContact CD2-CB 3.8Å
890	V	91.3	Very high	86.7	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	137.3	-174.7	-171.6	0	0	0	0	109.5	V879 I880 V888 G899 A901 V951 V953 L969	V879-V890 WeakPolarHBondContact O-CA 3.43Å; I880-V890 HydrophobicContact CG1-CG2 4.25Å; V888-V890 HydrophobicContact CG2-CG2 3.87Å; V890-G899 PolarHBondContact N-O 2.9Å; V890-G899 PolarHBondContact O-N 2.81Å; V890-A901 HydrophobicContact CG2-CB 3.93Å; V890-V951 HydrophobicContact CG1-CG2 4.33Å; V890-V953 HydrophobicContact CG1-CG2 3.93Å; V890-L969 HydrophobicContact CB-CD1 4.25Å
891	F	90.1	Very high	86.6	Confident	9 Å²	9	21.8 Å²	21.8	4%	0.039	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	130.6	171.9	176.1	-124.4	0	0	0	109.5	V654 L757 G878 V879 Y881 P893 I897 K898	V654-F891 HydrophobicContact CB-CZ 4.03Å; V654-F891 HydrophobicContact CG2-CE1 4.32Å; V654-F891 HydrophobicContact CG2-CZ 3.78Å; L757-F891 HydrophobicContact CD1-CB 4.33Å; L757-F891 HydrophobicContact CD1-CD1 4.29Å; L757-F891 HydrophobicContact CD1-CG 4.43Å; G878-F891 CarbonylContact C-O 3.59Å; G878-F891 VanDerWaalsContact CA-O 3.31Å; G878-F891 WeakPolarHBondContact CA-O 3.34Å; V879-F891 PolarHBondContact N-O 3.48Å; V879-F891 PolarHBondContact O-N 3.31Å; Y881-F891 HydrophobicContact CD1-CB 3.96Å; Y881-F891 HydrophobicContact CE1-CB 4.43Å; F891-P893 HydrophobicContact CD1-CG 4.08Å; F891-P893 HydrophobicContact CE1-CB 4.12Å; F891-P893 HydrophobicContact CE1-CG 3.95Å; F891-P893 WeakPolarHBondContact O-CD 3.47Å; F891-I897 WeakPolarHBondContact CA-O 3.45Å; F891-I897 WeakPolarHBondContact CD2-O 3.21Å; F891-K898 HydrophobicContact CD2-CD 4.42Å; F891-K898 HydrophobicContact CD2-CG 3.56Å; F891-K898 HydrophobicContact CE2-CG 4.25Å; F891-K898 HydrophobicContact CG-CG 4.43Å
892	I	89.6	Confident	86.5	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	99.8	178.4	-58.6	178.9	0	0	0	107.9	S876 R894 F895 G896 I897 V953 I955 L969	S876-I892 WeakPolarHBondContact OG-CG2 3.14Å; I892-R894 VanDerWaalsContact C-N 3.34Å; I892-R894 PolarHBondContact O-N 3.4Å; I892-F895 HydrophobicContact CG2-CD2 3.93Å; I892-F895 PolarHBondContact O-N 3.44Å; I892-G896 PolarHBondContact O-N 2.9Å; I892-I897 HydrophobicContact CB-CB 4.34Å; I892-I897 PolarHBondContact N-O 2.93Å; I892-I897 PolarHBondContact O-N 3.05Å; I892-V953 HydrophobicContact CD1-CB 4.44Å; I892-V953 HydrophobicContact CD1-CG1 4.16Å; I892-I955 HydrophobicContact CD1-CD1 3.69Å; I892-I955 HydrophobicContact CD1-CG1 3.76Å; I892-I955 HydrophobicContact CG2-CD1 4.44Å; I892-L969 HydrophobicContact CD1-CD1 4Å; I892-L969 HydrophobicContact CD1-CD2 3.58Å; I892-L969 HydrophobicContact CD1-CG 4.45Å; I892-L969 HydrophobicContact CG1-CD1 4.47Å
893	P	83.3	Confident	86.5	Confident	26 Å²	26	22.2 Å²	22.2	17%	0.169	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-60.5	-39.9	-171.6	-25.2	34.4	0	0	0	113.6	I753 F891 F895 G896	I753-P893 HydrophobicContact CD1-CG 3.99Å; I753-P893 HydrophobicContact CG1-CG 4.37Å; I753-P893 HydrophobicContact CG2-CG 4.02Å; F891-P893 HydrophobicContact CD1-CG 4.08Å; F891-P893 HydrophobicContact CE1-CB 4.12Å; F891-P893 HydrophobicContact CE1-CG 3.95Å; F891-P893 WeakPolarHBondContact O-CD 3.47Å; P893-F895 VanDerWaalsContact C-N 3.29Å; P893-F895 PolarHBondContact O-N 2.98Å; P893-G896 PolarHBondContact O-N 3.23Å
894	R	83.8	Confident	86.4	Confident	86 Å²	86	26.6 Å²	26.6	33%	0.325	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-55.8	-42.6	-177.5	-179.4	179.4	176.3	177.1	3	112.9	I892	I892-R894 VanDerWaalsContact C-N 3.34Å; I892-R894 PolarHBondContact O-N 3.4Å
895	F	85.9	Confident	86.3	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-108	1	-174.5	-59	-59.8	0	0	0	113.2	V656 L669 Q859 Y862 F863 I892 P893 I897 I955	V656-F895 WeakPolarHBondContact CG2-O 3.49Å; L669-F895 HydrophobicContact CB-CD1 3.93Å; L669-F895 HydrophobicContact CB-CE1 4.44Å; L669-F895 HydrophobicContact CD1-CD1 4.15Å; Q859-F895 PolarHBondContact NE2-O 2.84Å; Y862-F895 AromaticContact CE1-CE1 3.99Å; Y862-F895 HydrophobicContact CE1-CE1 3.99Å; Y862-F895 HydrophobicContact CE1-CZ 4.4Å; F863-F895 HydrophobicContact CE1-CE2 4.24Å; F863-F895 HydrophobicContact CE1-CZ 4.32Å; F863-F895 HydrophobicContact CZ-CD1 4.22Å; F863-F895 AromaticContact CZ-CD2 3.8Å; F863-F895 HydrophobicContact CZ-CD2 3.8Å; F863-F895 HydrophobicContact CZ-CE1 4.18Å; F863-F895 AromaticContact CZ-CE2 3.77Å; F863-F895 HydrophobicContact CZ-CE2 3.77Å; F863-F895 HydrophobicContact CZ-CG 4.02Å; F863-F895 AromaticContact CZ-CZ 3.95Å; F863-F895 HydrophobicContact CZ-CZ 3.95Å; I892-F895 HydrophobicContact CG2-CD2 3.93Å; I892-F895 PolarHBondContact O-N 3.44Å; P893-F895 VanDerWaalsContact C-N 3.29Å; P893-F895 PolarHBondContact O-N 2.98Å; F895-I897 HydrophobicContact CB-CD1 3.56Å; F895-I897 HydrophobicContact CB-CG1 3.85Å; F895-I897 HydrophobicContact CG-CD1 4.36Å; F895-I897 PolarHBondContact O-N 3.22Å; F895-I955 HydrophobicContact CD2-CD1 3.61Å; F895-I955 HydrophobicContact CE2-CD1 3.79Å
896	G	84.8	Confident	86	Confident	21 Å²	21	29.4 Å²	29.4	22%	0.216	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	23.8	-177.4	0	0	0	0	0	113.6	I892 P893	I892-G896 PolarHBondContact O-N 2.9Å; P893-G896 PolarHBondContact O-N 3.23Å
897	I	88.4	Confident	85.8	Confident	6 Å²	6	34 Å²	34	3%	0.031	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	131.8	-174.7	-65.6	165.4	0	0	0	109.7	F863 F891 I892 F895 I967	F863-I897 HydrophobicContact CE2-CD1 3.75Å; F863-I897 HydrophobicContact CZ-CD1 4.4Å; F891-I897 WeakPolarHBondContact CA-O 3.45Å; F891-I897 WeakPolarHBondContact CD2-O 3.21Å; I892-I897 HydrophobicContact CB-CB 4.34Å; I892-I897 PolarHBondContact N-O 2.93Å; I892-I897 PolarHBondContact O-N 3.05Å; F895-I897 HydrophobicContact CB-CD1 3.56Å; F895-I897 HydrophobicContact CB-CG1 3.85Å; F895-I897 HydrophobicContact CG-CD1 4.36Å; F895-I897 PolarHBondContact O-N 3.22Å; I897-I967 HydrophobicContact CD1-CD1 3.54Å; I897-I967 HydrophobicContact CG1-CD1 4.05Å; I897-I967 HydrophobicContact CG2-CD1 4.35Å; I897-I967 HydrophobicContact CG2-CG2 4.24Å
898	K	87.8	Confident	85.1	Confident	65 Å²	65	35.2 Å²	35.2	28%	0.283	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	127.3	166.8	-66.3	-179.1	-175.7	-171.2	0	108.3	S760 Q764 Y881 F891	S760-K898 PolarHBondContact OG-NZ 2.63Å; Q764-K898 VanDerWaalsContact NE2-NZ 3.19Å; Y881-K898 HydrophobicContact CE1-CB 4.47Å; Y881-K898 HydrophobicContact CE1-CG 4.46Å; F891-K898 HydrophobicContact CD2-CD 4.42Å; F891-K898 HydrophobicContact CD2-CG 3.56Å; F891-K898 HydrophobicContact CE2-CG 4.25Å; F891-K898 HydrophobicContact CG-CG 4.43Å
899	G	86.9	Confident	84.8	Confident	14 Å²	14	37.5 Å²	37.5	14%	0.144	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	163.2	-177.8	0	0	0	0	0	113.1	L889 V890	L889-G899 WeakPolarHBondContact CA-O 3.4Å; V890-G899 PolarHBondContact N-O 2.9Å; V890-G899 PolarHBondContact O-N 2.81Å
900	A	88.1	Confident	84.5	Confident	25 Å²	25	36.4 Å²	36.4	21%	0.207	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	133.9	172.5	0	0	0	0	0	110.1	L311 L889 Y902	L311-A900 HydrophobicContact CD1-CB 4.17Å; L311-A900 HydrophobicContact CD2-CB 4.02Å; L889-A900 HydrophobicContact CD2-CB 3.8Å; A900-Y902 HydrophobicContact CB-CE2 4.3Å
901	A	88.4	Confident	84.1	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118	166.5	0	0	0	0	0	108.8	G887 V888 V890 L969 I971	G887-A901 WeakPolarHBondContact CA-O 3.49Å; V888-A901 HydrophobicContact CG2-CB 4.17Å; V888-A901 PolarHBondContact N-O 3.07Å; V888-A901 PolarHBondContact O-N 2.86Å; V890-A901 HydrophobicContact CG2-CB 3.93Å; A901-L969 HydrophobicContact CB-CB 4.24Å; A901-I971 HydrophobicContact CB-CD1 3.87Å; A901-I971 HydrophobicContact CB-CG1 3.88Å
902	Y	87.1	Confident	83.7	Confident	39 Å²	39	36.2 Å²	36.2	15%	0.153	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	138.2	-177.7	-59.4	-90.8	0	0	0	110.1	L311 C312 E313 A900	L311-Y902 HydrophobicContact CB-CD1 4.22Å; L311-Y902 HydrophobicContact CB-CE1 3.57Å; L311-Y902 HydrophobicContact CD1-CD1 4.28Å; L311-Y902 HydrophobicContact CD1-CE1 4.24Å; C312-Y902 PolarHBondContact O-OH 3.01Å; E313-Y902 HydrophobicContact CB-CE1 4.41Å; E313-Y902 HydrophobicContact CG-CD1 3.7Å; E313-Y902 HydrophobicContact CG-CD2 4Å; E313-Y902 HydrophobicContact CG-CE1 3.31Å; E313-Y902 HydrophobicContact CG-CE2 3.67Å; E313-Y902 HydrophobicContact CG-CG 4.02Å; E313-Y902 VanDerWaalsContact OE1-CD2 3.31Å; E313-Y902 WeakPolarHBondContact OE1-CD2 3.36Å; A900-Y902 HydrophobicContact CB-CE2 4.3Å
903	L	84.7	Confident	82.8	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-100.8	-4.6	174.7	-60.4	-173.8	0	0	0	112.3	N886 V888 V910 I911 L926 I933 F945 I971	N886-L903 PolarHBondContact O-N 2.82Å; V888-L903 HydrophobicContact CG1-CD1 4.18Å; L903-V910 VanDerWaalsContact O-CA 3.3Å; L903-V910 WeakPolarHBondContact O-CA 3.5Å; L903-I911 HydrophobicContact CB-CG2 4.36Å; L903-I911 HydrophobicContact CD2-CD1 4.42Å; L903-I911 HydrophobicContact CD2-CG2 4.01Å; L903-I911 PolarHBondContact O-N 3.3Å; L903-L926 HydrophobicContact CB-CD1 4Å; L903-L926 HydrophobicContact CB-CD2 4.06Å; L903-I933 HydrophobicContact CD1-CB 4.42Å; L903-I933 HydrophobicContact CD1-CD1 3.99Å; L903-I933 HydrophobicContact CD1-CG1 4.05Å; L903-I933 HydrophobicContact CD1-CG2 3.51Å; L903-F945 HydrophobicContact CD1-CD2 3.82Å; L903-F945 HydrophobicContact CD1-CE2 4.15Å; L903-F945 HydrophobicContact CD2-CD2 4.37Å; L903-F945 HydrophobicContact CD2-CE2 4.04Å; L903-F945 HydrophobicContact CD2-CZ 4.43Å; L903-I971 HydrophobicContact CD2-CD1 3.89Å
904	K	83.4	Confident	81.8	Confident	99 Å²	99	37.4 Å²	37.4	43%	0.43	20%	0.203	S	C	.	.	B	Isolated β-bridge	trans	-129.5	127.1	172.8	-175.4	175.5	180	-179.5	0	109	G908 L909 V910 L926	K904-G908 VanDerWaalsContact CE-CA 3.45Å; K904-L909 CarbonylContact C-O 3.48Å; K904-L909 VanDerWaalsContact CA-O 3.24Å; K904-L909 WeakPolarHBondContact CA-O 3.46Å; K904-V910 HydrophobicContact CB-CG1 4.47Å; K904-V910 HydrophobicContact CG-CG1 4.4Å; K904-L926 HydrophobicContact CB-CD1 3.78Å
905	N	81.4	Confident	80.5	Confident	27 Å²	27	39.4 Å²	39.4	14%	0.144	23%	0.226	C	C	.	.			trans	-86.2	176.8	178.3	77.4	-3.4	0	0	0	111.6	D907 G908 L909 W921	N905-D907 VanDerWaalsContact C-N 3.26Å; N905-D907 PolarHBondContact O-N 3.12Å; N905-D907 PolarHBondContact OD1-N 2.93Å; N905-D907 VanDerWaalsContact OD1-N 3.14Å; N905-G908 PolarHBondContact O-N 2.87Å; N905-G908 PolarHBondContact OD1-N 2.63Å; N905-G908 VanDerWaalsContact OD1-N 3.12Å; N905-L909 PolarHBondContact N-O 3.24Å; N905-L909 WeakPolarHBondContact OD1-CA 3.28Å; N905-L909 WeakPolarHBondContact OD1-CB 3.47Å; N905-L909 PolarHBondContact OD1-N 2.82Å; N905-L909 PolarHBondContact OD1-O 3.25Å; N905-W921 HydrophobicContact CB-CD2 4.18Å; N905-W921 HydrophobicContact CB-CE3 3.84Å; N905-W921 HydrophobicContact CB-CH2 4.07Å; N905-W921 HydrophobicContact CB-CZ2 4.39Å; N905-W921 HydrophobicContact CB-CZ3 3.79Å
906	K	74.7	Confident	79.1	Confident	141 Å²	141	46 Å²	46	61%	0.613	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-31.2	179.2	-64.4	-169.8	174	-169.4	0	114	E313 G908	E313-K906 WeakPolarHBondContact OE2-CE 3.27Å; E313-K906 WeakPolarHBondContact OE2-CG 3.44Å; K906-G908 PolarHBondContact O-N 2.69Å
907	D	75.9	Confident	77.9	Confident	133 Å²	133	46 Å²	46	71%	0.711	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	1	177.1	-52	-50.5	0	0	0	112.5	N905 L909	N905-D907 VanDerWaalsContact C-N 3.26Å; N905-D907 PolarHBondContact O-N 3.12Å; N905-D907 PolarHBondContact OD1-N 2.93Å; N905-D907 VanDerWaalsContact OD1-N 3.14Å; D907-L909 VanDerWaalsContact C-N 3.29Å; D907-L909 HydrophobicContact CB-CD1 4.43Å; D907-L909 HydrophobicContact CB-CG 4.19Å; D907-L909 PolarHBondContact O-N 2.87Å
908	G	73.9	Confident	76.9	Confident	26 Å²	26	55 Å²	55	27%	0.268	29%	0.292	S	S	.	.	S	Bend	trans	79	7.9	179.7	0	0	0	0	0	114.7	K904 N905 K906	K904-G908 VanDerWaalsContact CE-CA 3.45Å; N905-G908 PolarHBondContact O-N 2.87Å; N905-G908 PolarHBondContact OD1-N 2.63Å; N905-G908 VanDerWaalsContact OD1-N 3.12Å; K906-G908 PolarHBondContact O-N 2.69Å
909	L	81.8	Confident	76.4	Confident	47 Å²	47	53.3 Å²	53.3	25%	0.246	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	146.4	174.7	-51.1	177	0	0	0	110.1	K904 N905 D907 W921 K922 P923	K904-L909 CarbonylContact C-O 3.48Å; K904-L909 VanDerWaalsContact CA-O 3.24Å; K904-L909 WeakPolarHBondContact CA-O 3.46Å; N905-L909 PolarHBondContact N-O 3.24Å; N905-L909 WeakPolarHBondContact OD1-CA 3.28Å; N905-L909 WeakPolarHBondContact OD1-CB 3.47Å; N905-L909 PolarHBondContact OD1-N 2.82Å; N905-L909 PolarHBondContact OD1-O 3.25Å; D907-L909 VanDerWaalsContact C-N 3.29Å; D907-L909 HydrophobicContact CB-CD1 4.43Å; D907-L909 HydrophobicContact CB-CG 4.19Å; D907-L909 PolarHBondContact O-N 2.87Å; L909-W921 HydrophobicContact CB-CB 4.08Å; L909-W921 HydrophobicContact CB-CE3 4.41Å; L909-W921 HydrophobicContact CD1-CB 4.04Å; L909-K922 CarbonylContact C-O 3.51Å; L909-K922 WeakPolarHBondContact CA-O 3.46Å; L909-P923 HydrophobicContact CD2-CB 4.21Å; L909-P923 HydrophobicContact CD2-CG 3.75Å
910	V	83.4	Confident	76.1	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	157.6	178.2	-58.5	0	0	0	0	111.1	L903 K904 K922 L926 S935	L903-V910 VanDerWaalsContact O-CA 3.3Å; L903-V910 WeakPolarHBondContact O-CA 3.5Å; K904-V910 HydrophobicContact CB-CG1 4.47Å; K904-V910 HydrophobicContact CG-CG1 4.4Å; V910-K922 WeakPolarHBondContact CG2-O 3.36Å; V910-K922 PolarHBondContact N-O 2.91Å; V910-K922 PolarHBondContact O-N 3.24Å; V910-L926 HydrophobicContact CB-CD2 4.13Å; V910-L926 HydrophobicContact CG1-CD2 3.96Å; V910-L926 HydrophobicContact CG1-CG 3.91Å; V910-S935 VanDerWaalsContact CB-OG 3.3Å; V910-S935 WeakPolarHBondContact CB-OG 3.37Å; V910-S935 WeakPolarHBondContact CG2-OG 3.25Å
911	I	83.7	Confident	75.9	Confident	3 Å²	3	57.7 Å²	57.7	2%	0.015	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	137.3	177	-156.2	167.9	0	0	0	110.9	L903 S935 F945 I971	L903-I911 HydrophobicContact CB-CG2 4.36Å; L903-I911 HydrophobicContact CD2-CD1 4.42Å; L903-I911 HydrophobicContact CD2-CG2 4.01Å; L903-I911 PolarHBondContact O-N 3.3Å; I911-S935 WeakPolarHBondContact O-CB 3.14Å; I911-S935 PolarHBondContact O-OG 3.49Å; I911-F945 HydrophobicContact CD1-CZ 4.36Å; I911-F945 HydrophobicContact CG2-CE2 3.7Å; I911-F945 HydrophobicContact CG2-CZ 4.09Å; I911-I971 HydrophobicContact CD1-CB 4.04Å; I911-I971 HydrophobicContact CD1-CG2 4.08Å
912	S	80.8	Confident	75.6	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.021	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	151.2	172.1	67.8	0	0	0	0	108.9	S919 A920 K922 T937	S912-S919 CarbonylContact O-C 3.49Å; S912-S919 WeakPolarHBondContact O-CA 3.15Å; S912-A920 PolarHBondContact N-O 3.17Å; S912-A920 PolarHBondContact O-N 3.44Å; S912-A920 PolarHBondContact OG-O 3.18Å; S912-K922 WeakPolarHBondContact OG-CD 3.3Å; S912-K922 WeakPolarHBondContact OG-CG 3.39Å; S912-T937 VanDerWaalsContact CB-CG2 3.49Å
913	S	71.3	Confident	75.4	Confident	24 Å²	24	61.7 Å²	61.7	17%	0.168	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	117.6	176.8	-177.8	0	0	0	0	108.1	V943	S913-V943 VanDerWaalsContact N-CG2 3.31Å
914	G	62.8	Low	75.3	Confident	27 Å²	27	63 Å²	63	28%	0.278	34%	0.344	S	S	.	.			trans	-74.7	177.4	174.7	0	0	0	0	0	112.8	D916 S917 R918	G914-D916 PolarHBondContact O-N 2.85Å; G914-D916 VanDerWaalsContact O-N 3.11Å; G914-S917 PolarHBondContact O-N 3.15Å; G914-R918 PolarHBondContact N-O 3.36Å
915	P	55.8	Low	75.3	Confident	127 Å²	127	61.1 Å²	61.1	83%	0.825	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-26.5	177.2	14.3	-23.2	0	0	0	113.6	S917	P915-S917 PolarHBondContact O-N 3.22Å
916	D	55.3	Low	75.5	Confident	140 Å²	140	61.6 Å²	61.6	75%	0.749	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	7	177.8	-61.7	-21.4	0	0	0	114.2	G914 R918	G914-D916 PolarHBondContact O-N 2.85Å; G914-D916 VanDerWaalsContact O-N 3.11Å; D916-R918 PolarHBondContact O-N 3.33Å; D916-R918 VanDerWaalsContact O-N 3.1Å
917	S	61	Low	75.9	Confident	21 Å²	21	60.1 Å²	60.1	15%	0.147	34%	0.341	C	S	.	.	S	Bend	trans	61.4	11.1	-178	-42.9	0	0	0	0	115.4	G914 P915 S973 K975	G914-S917 PolarHBondContact O-N 3.15Å; P915-S917 PolarHBondContact O-N 3.22Å; S917-S973 WeakPolarHBondContact O-CA 3.42Å; S917-S973 WeakPolarHBondContact O-CB 3.45Å; S917-S973 PolarHBondContact O-OG 3.5Å; S917-K975 VanDerWaalsContact OG-CE 3.29Å; S917-K975 WeakPolarHBondContact OG-CE 3.39Å; S917-K975 PolarHBondContact OG-NZ 2.92Å
918	R	67.4	Low	76.3	Confident	194 Å²	194	59.2 Å²	59.2	73%	0.732	33%	0.328	S	S	*	.	B	Isolated β-bridge	trans	-88.1	137.3	171.7	-70.4	-174.9	178.2	-170.1	-0.9	110.6	G914 D916	G914-R918 PolarHBondContact N-O 3.36Å; D916-R918 PolarHBondContact O-N 3.33Å; D916-R918 VanDerWaalsContact O-N 3.1Å
919	S	76.6	Confident	76.7	Confident	30 Å²	30	62.3 Å²	62.3	21%	0.21	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	135.9	179.7	-63.5	0	0	0	0	112	S912 I972	S912-S919 CarbonylContact O-C 3.49Å; S912-S919 WeakPolarHBondContact O-CA 3.15Å; S919-I972 VanDerWaalsContact CB-O 3.3Å; S919-I972 WeakPolarHBondContact CB-O 3.3Å; S919-I972 PolarHBondContact N-O 2.9Å; S919-I972 PolarHBondContact OG-O 3.08Å
920	A	80	Confident	76.4	Confident	47 Å²	47	66.5 Å²	66.5	39%	0.388	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	147.6	175.9	0	0	0	0	0	110.9	S912	S912-A920 PolarHBondContact N-O 3.17Å; S912-A920 PolarHBondContact O-N 3.44Å; S912-A920 PolarHBondContact OG-O 3.18Å
921	W	84.1	Confident	76.3	Confident	83 Å²	83	69.9 Å²	69.9	31%	0.314	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	121.6	178.4	-64.7	102	0	0	0	110.7	N905 L909 E970	N905-W921 HydrophobicContact CB-CD2 4.18Å; N905-W921 HydrophobicContact CB-CE3 3.84Å; N905-W921 HydrophobicContact CB-CH2 4.07Å; N905-W921 HydrophobicContact CB-CZ2 4.39Å; N905-W921 HydrophobicContact CB-CZ3 3.79Å; L909-W921 HydrophobicContact CB-CB 4.08Å; L909-W921 HydrophobicContact CB-CE3 4.41Å; L909-W921 HydrophobicContact CD1-CB 4.04Å; W921-E970 PolarHBondContact NE1-OE1 3.39Å
922	K	82.6	Confident	76.4	Confident	54 Å²	54	73.1 Å²	73.1	24%	0.235	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	154.1	178.8	-70.2	-173	-176.4	-176.9	0	111.4	L909 V910 S912 T937 D939 E941	L909-K922 CarbonylContact C-O 3.51Å; L909-K922 WeakPolarHBondContact CA-O 3.46Å; V910-K922 WeakPolarHBondContact CG2-O 3.36Å; V910-K922 PolarHBondContact N-O 2.91Å; V910-K922 PolarHBondContact O-N 3.24Å; S912-K922 WeakPolarHBondContact OG-CD 3.3Å; S912-K922 WeakPolarHBondContact OG-CG 3.39Å; K922-T937 HydrophobicContact CB-CG2 3.91Å; K922-T937 HydrophobicContact CD-CG2 4.12Å; K922-D939 IonicContact NZ-OD2 3.32Å; K922-E941 IonicContact NZ-OE1 3.83Å; K922-E941 IonicContact NZ-OE2 3.62Å; K922-E941 PolarHBondContact NZ-OE2 2.89Å
923	P	83.2	Confident	76.8	Confident	69 Å²	69	73 Å²	73	45%	0.448	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	138.8	173.8	-21.6	33	0	0	0	111.3	L909 T937 T938	L909-P923 HydrophobicContact CD2-CB 4.21Å; L909-P923 HydrophobicContact CD2-CG 3.75Å; P923-T937 CarbonylContact O-C 3.58Å; P923-T937 WeakPolarHBondContact O-CA 3.28Å; P923-T938 HydrophobicContact CB-CG2 3.98Å; P923-T938 PolarHBondContact O-N 3.23Å; P923-T938 PolarHBondContact O-OG1 3.25Å
924	G	82.9	Confident	77.5	Confident	27 Å²	27	72.6 Å²	72.6	28%	0.278	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	172.7	-164.4	-178.1	0	0	0	0	0	114.5	T936	G924-T936 CarbonylContact C-O 3.56Å; G924-T936 WeakPolarHBondContact CA-O 3.48Å
925	S	83.6	Confident	78.7	Confident	61 Å²	61	71.3 Å²	71.3	43%	0.427	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	154.3	-177.7	65.5	0	0	0	0	111.6	T936	S925-T936 PolarHBondContact N-O 2.86Å; S925-T936 PolarHBondContact O-N 2.88Å
926	L	85.3	Confident	80.1	Confident	37 Å²	37	67.2 Å²	67.2	19%	0.194	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134.4	174.9	-63.7	179.9	0	0	0	109.6	L903 K904 V910 I933 T934	L903-L926 HydrophobicContact CB-CD1 4Å; L903-L926 HydrophobicContact CB-CD2 4.06Å; K904-L926 HydrophobicContact CB-CD1 3.78Å; V910-L926 HydrophobicContact CB-CD2 4.13Å; V910-L926 HydrophobicContact CG1-CD2 3.96Å; V910-L926 HydrophobicContact CG1-CG 3.91Å; L926-I933 HydrophobicContact CD1-CD1 4.47Å; L926-T934 WeakPolarHBondContact CA-O 2.99Å
927	Q	83.4	Confident	81.5	Confident	109 Å²	109	61 Å²	61	51%	0.509	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	118	170.5	-69.7	-175.3	-5.3	0	0	109.4	F929 T934	Q927-F929 HydrophobicContact CB-CE2 4.14Å; Q927-T934 PolarHBondContact N-O 3.05Å; Q927-T934 PolarHBondContact O-N 2.59Å
928	R	83.4	Confident	82.4	Confident	115 Å²	115	64.7 Å²	64.7	43%	0.434	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	135	176.5	175.5	-178.3	170.7	-113.2	-2.5	110.3	I883	I883-R928 HydrophobicContact CG2-CG 4.19Å
929	F	82.4	Confident	82.8	Confident	91 Å²	91	60.8 Å²	60.8	40%	0.399	32%	0.322	S	S	.	.			trans	-118.1	177.3	164	-56.6	-89.3	0	0	0	109.2	Q927 N931 K932	Q927-F929 HydrophobicContact CB-CE2 4.14Å; F929-N931 PolarHBondContact O-N 3.1Å; F929-K932 CarbonylContact C-O 3.49Å; F929-K932 WeakPolarHBondContact CA-O 3.2Å; F929-K932 HydrophobicContact CB-CG 3.69Å; F929-K932 WeakPolarHBondContact CB-O 3.48Å; F929-K932 HydrophobicContact CD2-CD 4.25Å; F929-K932 HydrophobicContact CD2-CG 3.74Å; F929-K932 HydrophobicContact CG-CG 3.99Å; F929-K932 PolarHBondContact N-O 3.05Å
930	Q	75.5	Confident	82.5	Confident	134 Å²	134	62.2 Å²	62.2	63%	0.626	34%	0.341	S	S	*	.	S	Bend	trans	-64	-41.1	-176.4	-166.5	174.6	14.2	0	0	112.6	E722	E722-Q930 PolarHBondContact OE1-NE2 2.84Å
931	N	81.7	Confident	82.5	Confident	71 Å²	71	63.5 Å²	63.5	38%	0.38	34%	0.339	S	S	.	.	S	Bend	trans	-117.2	3.4	-175.5	67.4	-19.5	0	0	0	114.5	A726 I883 F929 H946 L947	A726-N931 HydrophobicContact CB-CB 4.09Å; I883-N931 WeakPolarHBondContact CD1-O 3.33Å; F929-N931 PolarHBondContact O-N 3.1Å; N931-H946 WeakPolarHBondContact O-CA 3.48Å; N931-L947 HydrophobicContact CB-CD1 4.17Å; N931-L947 PolarHBondContact O-N 3.26Å
932	K	86.3	Confident	82.4	Confident	71 Å²	71	63.2 Å²	63.2	31%	0.309	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	156.4	180	65.6	179.5	-177.1	178.8	0	112.6	I883 F929 T944 F945	I883-K932 VanDerWaalsContact CD1-CA 3.41Å; I883-K932 VanDerWaalsContact CD1-N 3.31Å; F929-K932 CarbonylContact C-O 3.49Å; F929-K932 WeakPolarHBondContact CA-O 3.2Å; F929-K932 HydrophobicContact CB-CG 3.69Å; F929-K932 WeakPolarHBondContact CB-O 3.48Å; F929-K932 HydrophobicContact CD2-CD 4.25Å; F929-K932 HydrophobicContact CD2-CG 3.74Å; F929-K932 HydrophobicContact CG-CG 3.99Å; F929-K932 PolarHBondContact N-O 3.05Å; K932-T944 HydrophobicContact CB-CG2 3.97Å; K932-T944 HydrophobicContact CD-CG2 3.93Å; K932-T944 HydrophobicContact CG-CG2 4.35Å; K932-F945 CarbonylContact C-O 3.57Å; K932-F945 WeakPolarHBondContact CA-O 3.16Å; K932-F945 WeakPolarHBondContact CB-O 3.34Å
933	I	87.6	Confident	82.6	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	128.5	170.4	-176.4	158.5	0	0	0	109.1	I883 R884 V888 L903 L926 T944 F945	I883-I933 HydrophobicContact CG2-CB 3.83Å; I883-I933 HydrophobicContact CG2-CD1 4.46Å; I883-I933 HydrophobicContact CG2-CG2 4.11Å; R884-I933 WeakPolarHBondContact O-CD1 3.42Å; V888-I933 HydrophobicContact CG1-CG2 3.71Å; L903-I933 HydrophobicContact CD1-CB 4.42Å; L903-I933 HydrophobicContact CD1-CD1 3.99Å; L903-I933 HydrophobicContact CD1-CG1 4.05Å; L903-I933 HydrophobicContact CD1-CG2 3.51Å; L926-I933 HydrophobicContact CD1-CD1 4.47Å; I933-T944 WeakPolarHBondContact O-CA 3.47Å; I933-F945 HydrophobicContact CG2-CB 3.98Å; I933-F945 HydrophobicContact CG2-CD2 4.46Å; I933-F945 PolarHBondContact N-O 3.49Å; I933-F945 PolarHBondContact O-N 3.33Å
934	T	86.8	Confident	82.8	Confident	16 Å²	16	60.3 Å²	60.3	10%	0.098	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	124.6	-179.5	-58.4	0	0	0	0	109.2	L926 Q927 V943 T944	L926-T934 WeakPolarHBondContact CA-O 2.99Å; Q927-T934 PolarHBondContact N-O 3.05Å; Q927-T934 PolarHBondContact O-N 2.59Å; T934-V943 CarbonylContact C-O 3.56Å; T934-V943 WeakPolarHBondContact CA-O 3.14Å; T934-T944 WeakPolarHBondContact CG2-OG1 3.4Å; T934-T944 WeakPolarHBondContact OG1-CG2 3.15Å; T934-T944 PolarHBondContact OG1-OG1 2.86Å
935	S	87.1	Confident	83.1	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	124.6	169.6	-179.7	0	0	0	0	109	V910 I911 S942 V943	V910-S935 VanDerWaalsContact CB-OG 3.3Å; V910-S935 WeakPolarHBondContact CB-OG 3.37Å; V910-S935 WeakPolarHBondContact CG2-OG 3.25Å; I911-S935 WeakPolarHBondContact O-CB 3.14Å; I911-S935 PolarHBondContact O-OG 3.49Å; S935-S942 CarbonylContact O-C 3.51Å; S935-S942 WeakPolarHBondContact O-CA 3.49Å; S935-S942 WeakPolarHBondContact O-CB 3.19Å; S935-V943 PolarHBondContact N-O 3.34Å; S935-V943 PolarHBondContact O-N 2.97Å
936	T	85.4	Confident	83.3	Confident	42 Å²	42	59.7 Å²	59.7	26%	0.258	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	118.8	179.4	-54.8	0	0	0	0	109.4	G924 S925	G924-T936 CarbonylContact C-O 3.56Å; G924-T936 WeakPolarHBondContact CA-O 3.48Å; S925-T936 PolarHBondContact N-O 2.86Å; S925-T936 PolarHBondContact O-N 2.88Å
937	T	84.8	Confident	83.4	Confident	8 Å²	8	58.8 Å²	58.8	5%	0.049	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	160.8	178	64.5	0	0	0	0	111.7	S912 K922 P923 D939 G940 E941	S912-T937 VanDerWaalsContact CB-CG2 3.49Å; K922-T937 HydrophobicContact CB-CG2 3.91Å; K922-T937 HydrophobicContact CD-CG2 4.12Å; P923-T937 CarbonylContact O-C 3.58Å; P923-T937 WeakPolarHBondContact O-CA 3.28Å; T937-D939 PolarHBondContact O-N 3.12Å; T937-G940 PolarHBondContact O-N 3.38Å; T937-G940 VanDerWaalsContact O-N 3.14Å; T937-E941 HydrophobicContact CG2-CB 4.49Å; T937-E941 PolarHBondContact N-O 2.8Å; T937-E941 WeakPolarHBondContact OG1-CB 3.42Å; T937-E941 PolarHBondContact OG1-N 3.46Å; T937-E941 VanDerWaalsContact OG1-N 3.12Å; T937-E941 PolarHBondContact OG1-O 2.74Å
938	T	80.2	Confident	83.6	Confident	100 Å²	100	53.8 Å²	53.8	61%	0.613	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-23	173.1	48.5	0	0	0	0	113.3	P923 G940	P923-T938 HydrophobicContact CB-CG2 3.98Å; P923-T938 PolarHBondContact O-N 3.23Å; P923-T938 PolarHBondContact O-OG1 3.25Å; T938-G940 VanDerWaalsContact C-N 3.25Å; T938-G940 PolarHBondContact O-N 3.07Å
939	D	75.3	Confident	83.8	Confident	112 Å²	112	50.9 Å²	50.9	60%	0.599	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-0.6	179.5	-54.2	-26.7	0	0	0	112.6	K922 T937	K922-D939 IonicContact NZ-OD2 3.32Å; T937-D939 PolarHBondContact O-N 3.12Å
940	G	71.7	Confident	84.2	Confident	59 Å²	59	48.7 Å²	48.7	61%	0.608	27%	0.274	S	S	*	.	S	Bend	trans	87	-3.7	179.5	0	0	0	0	0	115.1	T937 T938	T937-G940 PolarHBondContact O-N 3.38Å; T937-G940 VanDerWaalsContact O-N 3.14Å; T938-G940 VanDerWaalsContact C-N 3.25Å; T938-G940 PolarHBondContact O-N 3.07Å
941	E	78.9	Confident	84.9	Confident	75 Å²	75	42.3 Å²	42.3	35%	0.35	25%	0.245	S	C	.	.			trans	-70.1	133	171.3	-60	177.1	158.9	0	0	109.6	K922 T937	K922-E941 IonicContact NZ-OE1 3.83Å; K922-E941 IonicContact NZ-OE2 3.62Å; K922-E941 PolarHBondContact NZ-OE2 2.89Å; T937-E941 HydrophobicContact CG2-CB 4.49Å; T937-E941 PolarHBondContact N-O 2.8Å; T937-E941 WeakPolarHBondContact OG1-CB 3.42Å; T937-E941 PolarHBondContact OG1-N 3.46Å; T937-E941 VanDerWaalsContact OG1-N 3.12Å; T937-E941 PolarHBondContact OG1-O 2.74Å
942	S	82.7	Confident	85.3	Confident	76 Å²	76	39.7 Å²	39.7	53%	0.531	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	141.4	174.8	62.9	0	0	0	0	112.6	S935	S935-S942 CarbonylContact O-C 3.51Å; S935-S942 WeakPolarHBondContact O-CA 3.49Å; S935-S942 WeakPolarHBondContact O-CB 3.19Å
943	V	85.7	Confident	85.5	Confident	13 Å²	13	36.3 Å²	36.3	8%	0.079	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	130.2	175.6	-177.7	0	0	0	0	108	S913 T934 S935 F945	S913-V943 VanDerWaalsContact N-CG2 3.31Å; T934-V943 CarbonylContact C-O 3.56Å; T934-V943 WeakPolarHBondContact CA-O 3.14Å; S935-V943 PolarHBondContact N-O 3.34Å; S935-V943 PolarHBondContact O-N 2.97Å; V943-F945 HydrophobicContact CB-CE2 4.37Å; V943-F945 HydrophobicContact CG1-CD2 4.32Å; V943-F945 HydrophobicContact CG1-CE1 4.39Å; V943-F945 HydrophobicContact CG1-CE2 3.64Å; V943-F945 HydrophobicContact CG1-CZ 3.69Å
944	T	88.1	Confident	85.7	Confident	49 Å²	49	39.4 Å²	39.4	30%	0.301	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	131.8	178.5	-59.1	0	0	0	0	109.9	K932 I933 T934 H946	K932-T944 HydrophobicContact CB-CG2 3.97Å; K932-T944 HydrophobicContact CD-CG2 3.93Å; K932-T944 HydrophobicContact CG-CG2 4.35Å; I933-T944 WeakPolarHBondContact O-CA 3.47Å; T934-T944 WeakPolarHBondContact CG2-OG1 3.4Å; T934-T944 WeakPolarHBondContact OG1-CG2 3.15Å; T934-T944 PolarHBondContact OG1-OG1 2.86Å; T944-H946 VanDerWaalsContact CG2-CE1 3.49Å; T944-H946 WeakPolarHBondContact CG2-CE1 3.41Å
945	F	89	Confident	85.9	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.009	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	133.1	173	-59.2	-88.4	0	0	0	109.3	I880 L903 I911 K932 I933 V943 V951 I971 N974	I880-F945 HydrophobicContact CD1-CB 3.83Å; I880-F945 HydrophobicContact CD1-CD1 3.99Å; I880-F945 HydrophobicContact CD1-CG 4.28Å; L903-F945 HydrophobicContact CD1-CD2 3.82Å; L903-F945 HydrophobicContact CD1-CE2 4.15Å; L903-F945 HydrophobicContact CD2-CD2 4.37Å; L903-F945 HydrophobicContact CD2-CE2 4.04Å; L903-F945 HydrophobicContact CD2-CZ 4.43Å; I911-F945 HydrophobicContact CD1-CZ 4.36Å; I911-F945 HydrophobicContact CG2-CE2 3.7Å; I911-F945 HydrophobicContact CG2-CZ 4.09Å; K932-F945 CarbonylContact C-O 3.57Å; K932-F945 WeakPolarHBondContact CA-O 3.16Å; K932-F945 WeakPolarHBondContact CB-O 3.34Å; I933-F945 HydrophobicContact CG2-CB 3.98Å; I933-F945 HydrophobicContact CG2-CD2 4.46Å; I933-F945 PolarHBondContact N-O 3.49Å; I933-F945 PolarHBondContact O-N 3.33Å; V943-F945 HydrophobicContact CB-CE2 4.37Å; V943-F945 HydrophobicContact CG1-CD2 4.32Å; V943-F945 HydrophobicContact CG1-CE1 4.39Å; V943-F945 HydrophobicContact CG1-CE2 3.64Å; V943-F945 HydrophobicContact CG1-CZ 3.69Å; F945-V951 HydrophobicContact CD1-CG1 4.02Å; F945-V951 HydrophobicContact CE1-CG1 4.14Å; F945-I971 HydrophobicContact CE1-CG2 4.14Å; F945-I971 HydrophobicContact CZ-CG2 4.42Å; F945-N974 HydrophobicContact CE1-CB 4.08Å
946	H	88.9	Confident	86.1	Confident	74 Å²	74	39.9 Å²	39.9	34%	0.343	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	162.4	177.9	-53.5	81	0	0	0	111	N931 T944 F948 D949	N931-H946 WeakPolarHBondContact O-CA 3.48Å; T944-H946 VanDerWaalsContact CG2-CE1 3.49Å; T944-H946 WeakPolarHBondContact CG2-CE1 3.41Å; H946-F948 PolarHBondContact O-N 2.65Å; H946-D949 WeakPolarHBondContact CB-OD2 3.38Å; H946-D949 IonicContact CG-OD2 2.63Å; H946-D949 PolarHBondContact N-OD2 2.8Å; H946-D949 IonicContact ND1-OD2 3.9Å; H946-D949 PolarHBondContact ND1-OD2 3.41Å; H946-D949 WeakPolarHBondContact O-CB 3.46Å; H946-D949 PolarHBondContact O-N 3.13Å
947	L	86.8	Confident	86.3	Confident	18 Å²	18	39.6 Å²	39.6	9%	0.094	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	136	166.3	-70.5	172.2	0	0	0	110	A726 I880 I883 N931 D949	A726-L947 HydrophobicContact CB-CB 4.48Å; A726-L947 HydrophobicContact CB-CD1 3.86Å; I880-L947 HydrophobicContact CG2-CD2 4.5Å; I883-L947 HydrophobicContact CD1-CD2 4.03Å; I883-L947 HydrophobicContact CD1-CG 3.87Å; I883-L947 HydrophobicContact CG1-CD2 3.78Å; I883-L947 HydrophobicContact CG1-CG 4.2Å; N931-L947 HydrophobicContact CB-CD1 4.17Å; N931-L947 PolarHBondContact O-N 3.26Å; L947-D949 PolarHBondContact O-N 2.95Å
948	F	87.1	Confident	86.5	Confident	4 Å²	4	42.3 Å²	42.3	2%	0.018	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	18.3	-175.1	-50	-89.2	0	0	0	115.6	C723 K727 V754 L757 L758 V879 I880 H946	C723-F948 HydrophobicContact CB-CE2 4.24Å; C723-F948 HydrophobicContact CB-CZ 4.06Å; C723-F948 WeakPolarHBondContact O-CE2 3.44Å; K727-F948 HydrophobicContact CB-CE2 4.38Å; K727-F948 HydrophobicContact CD-CB 4.48Å; K727-F948 HydrophobicContact CD-CD2 4.1Å; K727-F948 HydrophobicContact CD-CG 4.45Å; K727-F948 HydrophobicContact CG-CD2 3.3Å; K727-F948 HydrophobicContact CG-CE2 3.52Å; K727-F948 HydrophobicContact CG-CG 3.98Å; K727-F948 HydrophobicContact CG-CZ 4.34Å; V754-F948 HydrophobicContact CB-CD1 4.39Å; V754-F948 HydrophobicContact CB-CE1 4.43Å; V754-F948 HydrophobicContact CG1-CD1 4.15Å; V754-F948 HydrophobicContact CG1-CE1 3.85Å; V754-F948 HydrophobicContact CG1-CZ 4.27Å; V754-F948 HydrophobicContact CG2-CD1 3.94Å; V754-F948 HydrophobicContact CG2-CE1 4.45Å; V754-F948 HydrophobicContact CG2-CG 4.41Å; L757-F948 HydrophobicContact CD2-CD1 3.76Å; L757-F948 HydrophobicContact CD2-CE1 3.51Å; L757-F948 HydrophobicContact CG-CE1 4.29Å; L758-F948 HydrophobicContact CD2-CZ 4.14Å; V879-F948 HydrophobicContact CG1-CB 4.35Å; V879-F948 HydrophobicContact CG1-CD1 4.33Å; I880-F948 VanDerWaalsContact O-CA 3.25Å; I880-F948 WeakPolarHBondContact O-CA 3.22Å; I880-F948 PolarHBondContact O-N 2.65Å; H946-F948 PolarHBondContact O-N 2.65Å
949	D	88.5	Confident	86.8	Confident	53 Å²	53	41.1 Å²	41.1	28%	0.283	24%	0.243	S	C	.	.			trans	-67.6	135.5	165.7	-77.9	-8.9	0	0	0	109.4	I880 H946 L947	I880-D949 HydrophobicContact CD1-CB 4.34Å; I880-D949 PolarHBondContact N-O 3.01Å; I880-D949 VanDerWaalsContact N-O 3.12Å; H946-D949 WeakPolarHBondContact CB-OD2 3.38Å; H946-D949 IonicContact CG-OD2 2.63Å; H946-D949 PolarHBondContact N-OD2 2.8Å; H946-D949 IonicContact ND1-OD2 3.9Å; H946-D949 PolarHBondContact ND1-OD2 3.41Å; H946-D949 WeakPolarHBondContact O-CB 3.46Å; H946-D949 PolarHBondContact O-N 3.13Å; L947-D949 PolarHBondContact O-N 2.95Å
950	H	89.6	Confident	87.4	Confident	45 Å²	45	37.1 Å²	37.1	21%	0.208	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	125.8	170	-73.1	-105.4	0	0	0	110.1	D751 D877 G878 K975 P976	D751-H950 IonicContact OD1-NE2 3.9Å; D751-H950 IonicContact OD2-CE1 2.78Å; D751-H950 IonicContact OD2-NE2 2.68Å; D751-H950 PolarHBondContact OD2-NE2 3.27Å; D877-H950 IonicContact OD1-ND1 2.67Å; D877-H950 IonicContact OD2-CE1 3.76Å; D877-H950 IonicContact OD2-CG 3.6Å; D877-H950 IonicContact OD2-ND1 3.73Å; D877-H950 PolarHBondContact OD2-ND1 3.44Å; G878-H950 WeakPolarHBondContact O-CA 3.27Å; H950-K975 CarbonylContact O-C 3.6Å; H950-P976 HydrophobicContact CB-CB 3.72Å; H950-P976 HydrophobicContact CB-CG 4.49Å
951	V	90.7	Very high	88.1	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	150.1	-178.1	-65.8	0	0	0	0	110.5	G878 I880 V890 F945 V953 I971	G878-V951 PolarHBondContact N-O 3.28Å; G878-V951 WeakPolarHBondContact O-CG2 3.49Å; G878-V951 PolarHBondContact O-N 2.89Å; I880-V951 HydrophobicContact CD1-CG1 3.94Å; I880-V951 HydrophobicContact CD1-CG2 4.48Å; I880-V951 HydrophobicContact CG1-CG1 4.46Å; I880-V951 HydrophobicContact CG1-CG2 4.2Å; V890-V951 HydrophobicContact CG1-CG2 4.33Å; F945-V951 HydrophobicContact CD1-CG1 4.02Å; F945-V951 HydrophobicContact CE1-CG1 4.14Å; V951-V953 HydrophobicContact CG2-CG2 3.83Å; V951-I971 HydrophobicContact CB-CG2 4.24Å; V951-I971 HydrophobicContact CG2-CD1 4.37Å; V951-I971 HydrophobicContact CG2-CG1 4.2Å
952	T	90.4	Very high	88.5	Confident	15 Å²	15	35.2 Å²	35.2	9%	0.092	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	120.8	172.4	-57.8	0	0	0	0	109	I875 I972 S973 K975 Y977	I875-T952 HydrophobicContact CG2-CG2 3.43Å; I875-T952 VanDerWaalsContact CG2-CG2 3.43Å; T952-I972 PolarHBondContact O-N 3.22Å; T952-S973 PolarHBondContact N-O 2.68Å; T952-S973 PolarHBondContact O-N 3.21Å; T952-K975 PolarHBondContact N-O 2.93Å; T952-K975 VanDerWaalsContact N-O 3.15Å; T952-K975 PolarHBondContact OG1-O 2.9Å; T952-Y977 HydrophobicContact CG2-CD2 4.05Å; T952-Y977 HydrophobicContact CG2-CG 4.36Å
953	V	90.9	Very high	88.9	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.3	-175	-175.1	0	0	0	0	110.7	I875 S876 V890 I892 V951 L969 E970	I875-V953 WeakPolarHBondContact CA-O 3.3Å; S876-V953 PolarHBondContact N-O 3.04Å; S876-V953 PolarHBondContact O-N 3.47Å; V890-V953 HydrophobicContact CG1-CG2 3.93Å; I892-V953 HydrophobicContact CD1-CB 4.44Å; I892-V953 HydrophobicContact CD1-CG1 4.16Å; V951-V953 HydrophobicContact CG2-CG2 3.83Å; V953-L969 HydrophobicContact CG1-CB 3.72Å; V953-L969 HydrophobicContact CG1-CD1 4.45Å; V953-L969 HydrophobicContact CG1-CD2 3.96Å; V953-L969 HydrophobicContact CG1-CG 4.24Å; V953-E970 CarbonylContact C-O 3.37Å; V953-E970 WeakPolarHBondContact CA-O 3.26Å
954	R	90.9	Very high	89	Confident	65 Å²	65	32.8 Å²	32.8	25%	0.245	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	133	163	-157.6	175.2	-80.7	127.5	-0.7	109.9	P868 C874 L969 E970 I972	P868-R954 HydrophobicContact CB-CG 4.16Å; P868-R954 PolarHBondContact O-NE 2.89Å; C874-R954 CarbonylContact O-C 3.51Å; C874-R954 WeakPolarHBondContact O-CA 3.43Å; R954-L969 WeakPolarHBondContact O-CA 3.26Å; R954-E970 HydrophobicContact CB-CB 4.17Å; R954-E970 IonicContact CZ-OE2 3.66Å; R954-E970 PolarHBondContact N-O 2.82Å; R954-E970 IonicContact NH1-OE1 3.1Å; R954-E970 IonicContact NH1-OE2 2.76Å; R954-E970 PolarHBondContact NH1-OE2 2.89Å; R954-E970 PolarHBondContact O-N 2.85Å; R954-I972 HydrophobicContact CB-CD1 3.58Å; R954-I972 HydrophobicContact CB-CG1 3.84Å; R954-I972 HydrophobicContact CG-CD1 4.15Å
955	I	91.8	Very high	89.1	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	127.3	173.9	-51.3	176.9	0	0	0	107.9	F863 C874 I892 F895 I967 L969	F863-I955 HydrophobicContact CD1-CB 4.38Å; F863-I955 HydrophobicContact CD1-CG2 4.04Å; F863-I955 HydrophobicContact CD2-CG2 3.81Å; F863-I955 HydrophobicContact CE1-CB 4.25Å; F863-I955 HydrophobicContact CE1-CD1 4.1Å; F863-I955 HydrophobicContact CE1-CG2 4.06Å; F863-I955 HydrophobicContact CE2-CD1 4.46Å; F863-I955 HydrophobicContact CE2-CG2 3.88Å; F863-I955 HydrophobicContact CG-CG2 3.93Å; F863-I955 HydrophobicContact CZ-CB 4.5Å; F863-I955 HydrophobicContact CZ-CD1 3.81Å; F863-I955 HydrophobicContact CZ-CG2 4Å; C874-I955 PolarHBondContact O-N 3.42Å; I892-I955 HydrophobicContact CD1-CD1 3.69Å; I892-I955 HydrophobicContact CD1-CG1 3.76Å; I892-I955 HydrophobicContact CG2-CD1 4.44Å; F895-I955 HydrophobicContact CD2-CD1 3.61Å; F895-I955 HydrophobicContact CE2-CD1 3.79Å; I955-I967 HydrophobicContact CG2-CG2 3.54Å; I955-L969 HydrophobicContact CG1-CD2 4.09Å; I955-L969 HydrophobicContact CG2-CD2 4.37Å
956	S	91	Very high	89.1	Confident	27 Å²	27	34.1 Å²	34.1	19%	0.189	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	155.4	175.6	58.7	0	0	0	0	110.5	R968	S956-R968 PolarHBondContact N-O 2.77Å; S956-R968 PolarHBondContact O-N 3.32Å; S956-R968 PolarHBondContact OG-O 2.65Å
957	V	90.3	Very high	89.1	Confident	35 Å²	35	32.1 Å²	32.1	21%	0.212	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	126.6	177.4	-177.1	0	0	0	0	109.5	C860 F863 K864 D965	C860-V957 HydrophobicContact CB-CG1 4.37Å; C860-V957 VanDerWaalsContact O-CG2 3.26Å; C860-V957 WeakPolarHBondContact O-CG2 3.32Å; F863-V957 HydrophobicContact CB-CG2 3.62Å; K864-V957 HydrophobicContact CB-CG2 4.33Å; V957-D965 HydrophobicContact CG1-CB 4.1Å
958	Q	88.3	Confident	89.2	Confident	66 Å²	66	36.2 Å²	36.2	31%	0.308	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	99.5	167.2	-175.4	170.8	26.8	0	0	108.6	N314 T966 R968	N314-Q958 VanDerWaalsContact ND2-CD 3.32Å; N314-Q958 PolarHBondContact ND2-NE2 3.32Å; N314-Q958 PolarHBondContact ND2-OE1 2.85Å; Q958-T966 PolarHBondContact N-O 3.42Å; Q958-T966 PolarHBondContact O-N 2.79Å; Q958-T966 VanDerWaalsContact O-N 3.1Å; Q958-R968 HydrophobicContact CB-CB 4.49Å
959	A	85.9	Confident	89.4	Confident	75 Å²	75	36.2 Å²	36.2	62%	0.62	19%	0.193	S	C	*	.			trans	-68.9	138.5	178.1	0	0	0	0	0	111.1	D965	A959-D965 VanDerWaalsContact CA-OD1 3.26Å; A959-D965 WeakPolarHBondContact CA-OD1 3.42Å
960	S	87.8	Confident	89.4	Confident	27 Å²	27	36.6 Å²	36.6	19%	0.189	19%	0.193	C	C	.	.			trans	-127.3	130.4	174.2	-175.1	0	0	0	0	110.2	H963 D965	S960-H963 WeakPolarHBondContact OG-CB 3.46Å; S960-H963 PolarHBondContact OG-N 2.89Å; S960-H963 VanDerWaalsContact OG-N 3.09Å; S960-D965 PolarHBondContact N-OD1 2.92Å
961	R	87.9	Confident	89.3	Confident	71 Å²	71	34.6 Å²	34.6	27%	0.268	18%	0.184	S	C	.	.	S	Bend	trans	-72.3	-40.2	174.2	-175.1	173.6	166.6	-81	3.9	111.4	F349 Q388 R391 I417	F349-R961 PolarHBondContact O-NH1 3.17Å; F349-R961 PolarHBondContact O-NH2 2.78Å; Q388-R961 PolarHBondContact O-NH2 3.36Å; R391-R961 PolarHBondContact NH1-O 2.94Å; R391-R961 VanDerWaalsContact NH1-O 3.15Å; I417-R961 HydrophobicContact CD1-CG 3.9Å
962	C	86.9	Confident	89.1	Confident	23 Å²	23	36.1 Å²	36.1	16%	0.155	19%	0.192	C	C	.	.	S	Bend	trans	-89.8	-30.2	-171.8	-57.9	0	0	0	0	113	T348 T368 R391	T348-C962 VanDerWaalsContact OG1-CA 3.3Å; T348-C962 WeakPolarHBondContact OG1-CA 3.45Å; T348-C962 WeakPolarHBondContact OG1-CB 3.22Å; T348-C962 PolarHBondContact OG1-SG 3.09Å; T368-C962 HydrophobicContact CG2-CB 3.87Å; R391-C962 VanDerWaalsContact NH1-C 3.3Å; R391-C962 PolarHBondContact NH1-O 2.85Å
963	H	90.9	Very high	88.8	Confident	11 Å²	11	36.2 Å²	36.2	5%	0.051	19%	0.193	C	C	.	.	S	Bend	trans	-118.5	-174.6	-172.5	-52.7	-73.4	0	0	0	111.1	P369 W370 Y372 R391 S960	P369-H963 PolarHBondContact O-CE1 2.77Å; P369-H963 PolarHBondContact O-ND1 3.45Å; W370-H963 PolarHBondContact O-ND1 3.14Å; Y372-H963 AromaticContact CD1-CE1 3.55Å; Y372-H963 AromaticContact CD1-ND1 3.79Å; Y372-H963 AromaticContact CD1-NE2 3.75Å; Y372-H963 HydrophobicContact CD2-CB 4.42Å; Y372-H963 AromaticContact CD2-ND1 3.88Å; Y372-H963 HydrophobicContact CE1-CB 4.27Å; Y372-H963 AromaticContact CE1-CD2 3.19Å; Y372-H963 WeakPolarHBondContact CE1-CD2 3.48Å; Y372-H963 AromaticContact CE1-CE1 3.47Å; Y372-H963 VanDerWaalsContact CE1-CE1 3.47Å; Y372-H963 WeakPolarHBondContact CE1-CE1 3.22Å; Y372-H963 AromaticContact CE1-CG 3.43Å; Y372-H963 VanDerWaalsContact CE1-CG 3.43Å; Y372-H963 AromaticContact CE1-ND1 3.59Å; Y372-H963 AromaticContact CE1-NE2 3.25Å; Y372-H963 VanDerWaalsContact CE1-NE2 3.25Å; Y372-H963 WeakPolarHBondContact CE1-NE2 3.48Å; Y372-H963 HydrophobicContact CE2-CB 3.49Å; Y372-H963 VanDerWaalsContact CE2-CB 3.49Å; Y372-H963 AromaticContact CE2-CG 3.45Å; Y372-H963 VanDerWaalsContact CE2-CG 3.45Å; Y372-H963 AromaticContact CE2-ND1 3.69Å; Y372-H963 AromaticContact CG-ND1 3.95Å; Y372-H963 VanDerWaalsContact CZ-CB 3.41Å; Y372-H963 AromaticContact CZ-CD2 3.19Å; Y372-H963 AromaticContact CZ-CE1 3.92Å; Y372-H963 AromaticContact CZ-CG 3.05Å; Y372-H963 AromaticContact CZ-ND1 3.55Å; Y372-H963 AromaticContact CZ-NE2 3.77Å; Y372-H963 WeakPolarHBondContact OH-CB 3.43Å; Y372-H963 PolarHBondContact OH-CD2 3.24Å; R391-H963 PolarHBondContact NH2-O 3.45Å; S960-H963 WeakPolarHBondContact OG-CB 3.46Å; S960-H963 PolarHBondContact OG-N 2.89Å; S960-H963 VanDerWaalsContact OG-N 3.09Å
964	S	87.7	Confident	88.4	Confident	27 Å²	27	39.2 Å²	39.2	19%	0.189	21%	0.209	C	C	.	.			trans	-65.3	142	168.3	57.6	0	0	0	0	110.8
965	D	90.1	Very high	88	Confident	28 Å²	28	41.6 Å²	41.6	15%	0.15	22%	0.221	C	C	.	.			trans	-56.6	143.2	163.6	-70.4	-10.9	0	0	0	109.4	C860 K864 V957 A959 S960	C860-D965 HydrophobicContact CB-CB 4.13Å; C860-D965 PolarHBondContact SG-O 3.43Å; K864-D965 IonicContact NZ-OD2 3.64Å; K864-D965 PolarHBondContact NZ-OD2 3.12Å; V957-D965 HydrophobicContact CG1-CB 4.1Å; A959-D965 VanDerWaalsContact CA-OD1 3.26Å; A959-D965 WeakPolarHBondContact CA-OD1 3.42Å; S960-D965 PolarHBondContact N-OD1 2.92Å
966	T	88.5	Confident	87.5	Confident	51 Å²	51	44.8 Å²	44.8	31%	0.313	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	154.1	-179.7	59.8	0	0	0	0	111.4	Q958	Q958-T966 PolarHBondContact N-O 3.42Å; Q958-T966 PolarHBondContact O-N 2.79Å; Q958-T966 VanDerWaalsContact O-N 3.1Å
967	I	89.6	Confident	86.9	Confident	32 Å²	32	45.6 Å²	45.6	16%	0.164	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	125.9	176.5	-60.3	-176.9	0	0	0	109.5	Q859 F863 I897 I955 L969	Q859-I967 HydrophobicContact CB-CD1 3.82Å; F863-I967 HydrophobicContact CD2-CD1 4.34Å; I897-I967 HydrophobicContact CD1-CD1 3.54Å; I897-I967 HydrophobicContact CG1-CD1 4.05Å; I897-I967 HydrophobicContact CG2-CD1 4.35Å; I897-I967 HydrophobicContact CG2-CG2 4.24Å; I955-I967 HydrophobicContact CG2-CG2 3.54Å; I967-L969 HydrophobicContact CG2-CD2 3.81Å
968	R	89.1	Confident	86	Confident	105 Å²	105	52.7 Å²	52.7	40%	0.396	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129.6	173.2	-173.2	-179.2	-169.2	-164.1	5	110	E313 S956 Q958	E313-R968 IonicContact OE1-NH2 2.72Å; E313-R968 PolarHBondContact OE1-NH2 3.16Å; S956-R968 PolarHBondContact N-O 2.77Å; S956-R968 PolarHBondContact O-N 3.32Å; S956-R968 PolarHBondContact OG-O 2.65Å; Q958-R968 HydrophobicContact CB-CB 4.49Å
969	L	90.6	Very high	84.6	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.016	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	130.4	178.3	-57.9	-172.5	0	0	0	110.4	V890 I892 A901 V953 R954 I955 I967	V890-L969 HydrophobicContact CB-CD1 4.25Å; I892-L969 HydrophobicContact CD1-CD1 4Å; I892-L969 HydrophobicContact CD1-CD2 3.58Å; I892-L969 HydrophobicContact CD1-CG 4.45Å; I892-L969 HydrophobicContact CG1-CD1 4.47Å; A901-L969 HydrophobicContact CB-CB 4.24Å; V953-L969 HydrophobicContact CG1-CB 3.72Å; V953-L969 HydrophobicContact CG1-CD1 4.45Å; V953-L969 HydrophobicContact CG1-CD2 3.96Å; V953-L969 HydrophobicContact CG1-CG 4.24Å; R954-L969 WeakPolarHBondContact O-CA 3.26Å; I955-L969 HydrophobicContact CG1-CD2 4.09Å; I955-L969 HydrophobicContact CG2-CD2 4.37Å; I967-L969 HydrophobicContact CG2-CD2 3.81Å
970	E	88.9	Confident	82.6	Confident	61 Å²	61	54.2 Å²	54.2	29%	0.285	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.8	174.9	-174.9	-175.4	-165.1	0	0	109.8	W921 V953 R954 I972	W921-E970 PolarHBondContact NE1-OE1 3.39Å; V953-E970 CarbonylContact C-O 3.37Å; V953-E970 WeakPolarHBondContact CA-O 3.26Å; R954-E970 HydrophobicContact CB-CB 4.17Å; R954-E970 IonicContact CZ-OE2 3.66Å; R954-E970 PolarHBondContact N-O 2.82Å; R954-E970 IonicContact NH1-OE1 3.1Å; R954-E970 IonicContact NH1-OE2 2.76Å; R954-E970 PolarHBondContact NH1-OE2 2.89Å; R954-E970 PolarHBondContact O-N 2.85Å; E970-I972 PolarHBondContact O-N 3.27Å
971	I	88	Confident	80.3	Confident	4 Å²	4	60.2 Å²	60.2	2%	0.021	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	118.9	175.8	-66	166	0	0	0	108.5	V888 A901 L903 I911 F945 V951	V888-I971 HydrophobicContact CG2-CD1 3.63Å; A901-I971 HydrophobicContact CB-CD1 3.87Å; A901-I971 HydrophobicContact CB-CG1 3.88Å; L903-I971 HydrophobicContact CD2-CD1 3.89Å; I911-I971 HydrophobicContact CD1-CB 4.04Å; I911-I971 HydrophobicContact CD1-CG2 4.08Å; F945-I971 HydrophobicContact CE1-CG2 4.14Å; F945-I971 HydrophobicContact CZ-CG2 4.42Å; V951-I971 HydrophobicContact CB-CG2 4.24Å; V951-I971 HydrophobicContact CG2-CD1 4.37Å; V951-I971 HydrophobicContact CG2-CG1 4.2Å
972	I	86.6	Confident	77.9	Confident	32 Å²	32	62.4 Å²	62.4	16%	0.164	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-24.2	178.8	-45.2	159.1	0	0	0	111.7	I875 S919 T952 R954 E970	I875-I972 HydrophobicContact CD1-CD1 4.48Å; I875-I972 HydrophobicContact CG1-CD1 4.34Å; S919-I972 VanDerWaalsContact CB-O 3.3Å; S919-I972 WeakPolarHBondContact CB-O 3.3Å; S919-I972 PolarHBondContact N-O 2.9Å; S919-I972 PolarHBondContact OG-O 3.08Å; T952-I972 PolarHBondContact O-N 3.22Å; R954-I972 HydrophobicContact CB-CD1 3.58Å; R954-I972 HydrophobicContact CB-CG1 3.84Å; R954-I972 HydrophobicContact CG-CD1 4.15Å; E970-I972 PolarHBondContact O-N 3.27Å
973	S	83.9	Confident	75.6	Confident	18 Å²	18	70 Å²	70	13%	0.126	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	146.3	-179.6	157.1	0	0	0	0	110.6	S917 T952 K975	S917-S973 WeakPolarHBondContact O-CA 3.42Å; S917-S973 WeakPolarHBondContact O-CB 3.45Å; S917-S973 PolarHBondContact O-OG 3.5Å; T952-S973 PolarHBondContact N-O 2.68Å; T952-S973 PolarHBondContact O-N 3.21Å; S973-K975 PolarHBondContact O-N 2.98Å; S973-K975 PolarHBondContact OG-N 2.88Å
974	N	81.4	Confident	72.9	Confident	63 Å²	63	76.7 Å²	76.7	34%	0.337	39%	0.392	S	S	.	.	S	Bend	trans	-84.3	7.3	175.5	67	-12.2	0	0	0	113.5	F945	F945-N974 HydrophobicContact CE1-CB 4.08Å
975	K	82.6	Confident	70.5	Confident	114 Å²	114	80.5 Å²	80.5	50%	0.496	41%	0.41	S	S	.	.	S	Bend	trans	-106.7	151.8	174.9	-70.5	178.4	177	166.1	0	110.8	S917 H950 T952 S973	S917-K975 VanDerWaalsContact OG-CE 3.29Å; S917-K975 WeakPolarHBondContact OG-CE 3.39Å; S917-K975 PolarHBondContact OG-NZ 2.92Å; H950-K975 CarbonylContact O-C 3.6Å; T952-K975 PolarHBondContact N-O 2.93Å; T952-K975 VanDerWaalsContact N-O 3.15Å; T952-K975 PolarHBondContact OG1-O 2.9Å; S973-K975 PolarHBondContact O-N 2.98Å; S973-K975 PolarHBondContact OG-N 2.88Å
976	P	81.6	Confident	67.7	Low	67 Å²	67	88.1 Å²	88.1	44%	0.435	44%	0.444	S	S	.	.			trans	-59.8	141	172.9	23	-32.7	0	0	0	110.7	D877 H950 K978	D877-P976 VanDerWaalsContact OD1-CA 3.29Å; D877-P976 WeakPolarHBondContact OD1-CA 3.42Å; D877-P976 WeakPolarHBondContact OD1-CB 3.41Å; H950-P976 HydrophobicContact CB-CB 3.72Å; H950-P976 HydrophobicContact CB-CG 4.49Å; P976-K978 PolarHBondContact O-N 3.34Å
977	Y	78.5	Confident	65.2	Low	45 Å²	45	93 Å²	93	18%	0.176	46%	0.463	C	S	.	.			trans	-79.4	115.7	173.8	179.4	-103.6	0	0	0	109.3	E872 I875 D877 T952 I979	E872-Y977 VanDerWaalsContact CD-OH 3.31Å; E872-Y977 WeakPolarHBondContact CG-OH 3.34Å; E872-Y977 PolarHBondContact OE1-OH 3.11Å; I875-Y977 HydrophobicContact CB-CE2 4.46Å; I875-Y977 HydrophobicContact CG2-CD2 3.63Å; I875-Y977 HydrophobicContact CG2-CE2 3.74Å; I875-Y977 HydrophobicContact CG2-CG 4.1Å; D877-Y977 PolarHBondContact OD1-N 2.77Å; T952-Y977 HydrophobicContact CG2-CD2 4.05Å; T952-Y977 HydrophobicContact CG2-CG 4.36Å; Y977-I979 HydrophobicContact CD1-CG1 4.18Å; Y977-I979 HydrophobicContact CE1-CG1 4.16Å; Y977-I979 PolarHBondContact O-N 3.31Å
978	K	70.8	Confident	62.4	Low	183 Å²	183	96.1 Å²	96.1	80%	0.796	49%	0.487	S	S	*	.			trans	-86	108.9	177.3	-67.6	-173.9	178.5	-175.2	0	109.3	P976	P976-K978 PolarHBondContact O-N 3.34Å
979	I	59.9	Low	59.6	Low	98 Å²	98	93.4 Å²	93.4	50%	0.503	49%	0.485	S	S	.	.			trans	-63.7	130.6	174.2	-54.9	171	0	0	0	108.2	Y977 N981	Y977-I979 HydrophobicContact CD1-CG1 4.18Å; Y977-I979 HydrophobicContact CE1-CG1 4.16Å; Y977-I979 PolarHBondContact O-N 3.31Å; I979-N981 PolarHBondContact O-N 3.01Å
980	P	44.3	Very low	57.2	Low	75 Å²	75	97.1 Å²	97.1	49%	0.487	51%	0.509	S	S	.	.			trans	-60.5	129.1	171	-14.9	27.2	0	0	0	109.2	T982	P980-T982 PolarHBondContact O-N 3.07Å
981	N	38.2	Very low	54.4	Low	154 Å²	154	100 Å²	100	82%	0.824	53%	0.526	S	S	*	.	S	Bend	trans	-41.4	94.7	-177.6	-81.4	-16.4	0	0	0	113.9	I979	I979-N981 PolarHBondContact O-N 3.01Å
982	T	38.6	Very low	52.1	Low	117 Å²	117	104.5 Å²	104.5	72%	0.718	55%	0.549	S	S	*	.	S	Bend	trans	-156.5	128.7	154	-41.3	0	0	0	0	107.1	P980	P980-T982 PolarHBondContact O-N 3.07Å
983	E	37.6	Very low	50	Low	181 Å²	181	107.4 Å²	107.4	85%	0.846	56%	0.561	S	S	*	*			trans	68.6	64.1	-179.6	-63.1	175.9	-160.7	0	0	115.7	I985	E983-I985 PolarHBondContact O-N 2.97Å; E983-I985 VanDerWaalsContact O-N 3.1Å
984	L	33.4	Very low	47.9	Very low	153 Å²	153	109.2 Å²	109.2	80%	0.801	57%	0.573	S	S	*	*			trans	-57.3	112.9	153.7	-84.7	156	0	0	0	108.7	H986	L984-H986 PolarHBondContact O-N 2.88Å; L984-H986 VanDerWaalsContact O-N 3.08Å
985	I	38.2	Very low	46.1	Very low	107 Å²	107	112 Å²	112	55%	0.549	58%	0.584	S	S	.	*			trans	-44.2	112.4	158.3	-64.1	161.1	0	0	0	107.2	E983 Q987	E983-I985 PolarHBondContact O-N 2.97Å; E983-I985 VanDerWaalsContact O-N 3.1Å; I985-Q987 PolarHBondContact O-N 3.49Å
986	H	32.4	Very low	44.4	Very low	187 Å²	187	109 Å²	109	87%	0.866	57%	0.574	S	S	*	*			trans	-57.5	105.6	166.7	-99	-74.8	0	0	0	107.3	L984 S988	L984-H986 PolarHBondContact O-N 2.88Å; L984-H986 VanDerWaalsContact O-N 3.08Å; H986-S988 PolarHBondContact O-N 2.88Å
987	Q	35.7	Very low	42.7	Very low	154 Å²	154	108.9 Å²	108.9	72%	0.72	57%	0.572	S	S	*	*			trans	-72.8	102.8	174.5	-68.6	175.5	-11.9	0	0	107.3	I985 S989	I985-Q987 PolarHBondContact O-N 3.49Å; Q987-S989 PolarHBondContact O-N 2.8Å
988	S	29.9	Very low	41.5	Very low	97 Å²	97	113.6 Å²	113.6	68%	0.678	59%	0.593	S	S	*	*			trans	-64	122.7	154.3	47.8	0	0	0	0	107.2	H986	H986-S988 PolarHBondContact O-N 2.88Å
989	S	29.7	Very low	40.8	Very low	49 Å²	49	111.2 Å²	111.2	34%	0.343	59%	0.585	S	S	.	*			trans	-76.5	132.8	-171.7	66.8	0	0	0	0	110.6	Q987 L991 L992	Q987-S989 PolarHBondContact O-N 2.8Å; S989-L991 PolarHBondContact O-N 2.89Å; S989-L992 PolarHBondContact O-N 3.13Å; S989-L992 WeakPolarHBondContact OG-CD1 3.45Å
990	P	40.1	Very low	40.4	Very low	80 Å²	80	107.8 Å²	107.8	52%	0.519	57%	0.568	S	S	.	*	H	α-helix	trans	-66.5	-14	172	24.1	-31.3	0	0	0	112.9	K993	P990-K993 PolarHBondContact O-N 3.44Å
991	L	32.2	Very low	41	Very low	122 Å²	122	107 Å²	107	64%	0.639	56%	0.562	S	S	*	*	H	α-helix	trans	-63	-39.1	174.7	-78.4	158.3	0	0	0	112.1	S989 K993 S994 E995	S989-L991 PolarHBondContact O-N 2.89Å; L991-K993 PolarHBondContact O-N 3.14Å; L991-S994 PolarHBondContact O-N 3.4Å; L991-S994 PolarHBondContact O-OG 3.38Å; L991-E995 PolarHBondContact O-N 2.72Å
992	L	39.2	Very low	41.9	Very low	99 Å²	99	105.5 Å²	105.5	52%	0.518	55%	0.548	S	S	.	.	H	α-helix	trans	-60.4	-41.5	176.4	-93.5	154.1	0	0	0	111.8	S989 S994 E995 L996	S989-L992 PolarHBondContact O-N 3.13Å; S989-L992 WeakPolarHBondContact OG-CD1 3.45Å; L992-S994 PolarHBondContact O-N 3.23Å; L992-E995 PolarHBondContact O-N 3.19Å; L992-L996 HydrophobicContact CB-CD1 4.39Å; L992-L996 HydrophobicContact CD2-CD1 4.34Å; L992-L996 VanDerWaalsContact O-CB 3.3Å; L992-L996 WeakPolarHBondContact O-CB 3.44Å; L992-L996 WeakPolarHBondContact O-CD1 3.38Å; L992-L996 PolarHBondContact O-N 2.88Å
993	K	41.6	Very low	42.6	Very low	92 Å²	92	103.1 Å²	103.1	40%	0.4	54%	0.536	S	S	.	.	H	α-helix	trans	-61	-42.7	-179.4	-74.8	-170	170.1	-167.4	0	112.5	E650 E679 P990 L991 L996 V997	E650-K993 IonicContact OE1-NZ 3.86Å; E650-K993 PolarHBondContact OE1-NZ 3.46Å; E650-K993 IonicContact OE2-NZ 3.36Å; E679-K993 IonicContact OE1-NZ 2.99Å; E679-K993 PolarHBondContact OE1-NZ 2.81Å; P990-K993 PolarHBondContact O-N 3.44Å; L991-K993 PolarHBondContact O-N 3.14Å; K993-L996 PolarHBondContact O-N 2.8Å; K993-V997 WeakPolarHBondContact O-CG2 3.29Å; K993-V997 PolarHBondContact O-N 3.33Å
994	S	41.2	Very low	43.2	Very low	56 Å²	56	96.7 Å²	96.7	39%	0.392	51%	0.507	S	S	.	.	H	α-helix	trans	-71.3	-30.9	179.7	81.8	0	0	0	0	113.4	L991 L992 K998	L991-S994 PolarHBondContact O-N 3.4Å; L991-S994 PolarHBondContact O-OG 3.38Å; L992-S994 PolarHBondContact O-N 3.23Å; S994-K998 WeakPolarHBondContact O-CD 3.23Å; S994-K998 VanDerWaalsContact O-CG 3.28Å; S994-K998 WeakPolarHBondContact O-CG 3.05Å; S994-K998 PolarHBondContact O-N 3.25Å
995	E	42.8	Very low	44.2	Very low	121 Å²	121	94.7 Å²	94.7	57%	0.565	49%	0.494	S	S	*	.	H	α-helix	trans	-75.1	-40.2	175.6	-71.8	-178	159.4	0	0	110.9	L991 L992 K998 E999	L991-E995 PolarHBondContact O-N 2.72Å; L992-E995 PolarHBondContact O-N 3.19Å; E995-K998 WeakPolarHBondContact O-CB 3.49Å; E995-K998 PolarHBondContact O-N 3.07Å; E995-E999 WeakPolarHBondContact O-CB 3.45Å; E995-E999 PolarHBondContact O-N 3.48Å
996	L	46.3	Very low	45	Very low	53 Å²	53	94.7 Å²	94.7	28%	0.277	49%	0.491	S	S	.	.	H	α-helix	trans	-62.2	-45	174.1	-92.2	146	0	0	0	112.6	L992 K993 K998 E999 V1000	L992-L996 HydrophobicContact CB-CD1 4.39Å; L992-L996 HydrophobicContact CD2-CD1 4.34Å; L992-L996 VanDerWaalsContact O-CB 3.3Å; L992-L996 WeakPolarHBondContact O-CB 3.44Å; L992-L996 WeakPolarHBondContact O-CD1 3.38Å; L992-L996 PolarHBondContact O-N 2.88Å; K993-L996 PolarHBondContact O-N 2.8Å; L996-K998 VanDerWaalsContact C-N 3.3Å; L996-K998 PolarHBondContact O-N 3.34Å; L996-E999 PolarHBondContact O-N 2.86Å; L996-V1000 WeakPolarHBondContact O-CG2 3.47Å; L996-V1000 PolarHBondContact O-N 3.17Å
997	V	46.5	Very low	45.8	Very low	64 Å²	64	86.9 Å²	86.9	39%	0.388	46%	0.459	S	S	.	.	H	α-helix	trans	-61.7	-41	175.4	172.1	0	0	0	0	110.5	K993 T1001	K993-V997 WeakPolarHBondContact O-CG2 3.29Å; K993-V997 PolarHBondContact O-N 3.33Å; V997-T1001 VanDerWaalsContact O-CB 3.27Å; V997-T1001 WeakPolarHBondContact O-CB 3.4Å; V997-T1001 PolarHBondContact O-N 3.29Å; V997-T1001 PolarHBondContact O-OG1 3.47Å
998	K	53	Low	46.2	Very low	144 Å²	144	84.2 Å²	84.2	63%	0.626	45%	0.447	S	S	*	.	H	α-helix	trans	-65.6	-38.6	175.3	-74.4	171.4	-176.1	170.5	0	112.2	S994 E995 L996 K1002	S994-K998 WeakPolarHBondContact O-CD 3.23Å; S994-K998 VanDerWaalsContact O-CG 3.28Å; S994-K998 WeakPolarHBondContact O-CG 3.05Å; S994-K998 PolarHBondContact O-N 3.25Å; E995-K998 WeakPolarHBondContact O-CB 3.49Å; E995-K998 PolarHBondContact O-N 3.07Å; L996-K998 VanDerWaalsContact C-N 3.3Å; L996-K998 PolarHBondContact O-N 3.34Å; K998-K1002 WeakPolarHBondContact O-CB 3.15Å; K998-K1002 PolarHBondContact O-N 2.94Å
999	E	55.7	Low	47	Very low	132 Å²	132	85.1 Å²	85.1	62%	0.617	44%	0.443	S	S	*	.	H	α-helix	trans	-67.3	-44.1	177.7	-172.1	173.4	-166.5	0	0	111.7	E995 L996 K1002 S1003	E995-E999 WeakPolarHBondContact O-CB 3.45Å; E995-E999 PolarHBondContact O-N 3.48Å; L996-E999 PolarHBondContact O-N 2.86Å; E999-K1002 PolarHBondContact O-N 3.36Å; E999-S1003 VanDerWaalsContact O-CB 3.29Å; E999-S1003 WeakPolarHBondContact O-CB 3.31Å; E999-S1003 PolarHBondContact O-N 2.88Å
1000	V	52.9	Low	47.9	Very low	27 Å²	27	86.9 Å²	86.9	16%	0.164	46%	0.461	C	S	.	.	H	α-helix	trans	-66.4	-43.5	175.3	175.1	0	0	0	0	110.9	A641 L996 K1002 S1003 M1004	A641-V1000 HydrophobicContact CB-CG1 3.9Å; L996-V1000 WeakPolarHBondContact O-CG2 3.47Å; L996-V1000 PolarHBondContact O-N 3.17Å; V1000-K1002 VanDerWaalsContact C-N 3.33Å; V1000-K1002 PolarHBondContact O-N 2.79Å; V1000-S1003 PolarHBondContact O-N 3.27Å; V1000-M1004 HydrophobicContact CG1-SD 4.29Å; V1000-M1004 WeakPolarHBondContact O-CB 2.99Å; V1000-M1004 VanDerWaalsContact O-CG 3.27Å; V1000-M1004 WeakPolarHBondContact O-CG 3.31Å; V1000-M1004 PolarHBondContact O-N 2.88Å
1001	T	55.3	Low	47.9	Very low	57 Å²	57	88.5 Å²	88.5	35%	0.35	46%	0.461	S	S	.	.	H	α-helix	trans	-63.7	-40.3	177	-50	0	0	0	0	111	V997 M1004 E1005	V997-T1001 VanDerWaalsContact O-CB 3.27Å; V997-T1001 WeakPolarHBondContact O-CB 3.4Å; V997-T1001 PolarHBondContact O-N 3.29Å; V997-T1001 PolarHBondContact O-OG1 3.47Å; T1001-M1004 WeakPolarHBondContact O-CB 3.34Å; T1001-M1004 PolarHBondContact O-N 3.14Å; T1001-E1005 WeakPolarHBondContact O-CG 3.15Å; T1001-E1005 PolarHBondContact O-N 3.37Å
1002	K	58.1	Low	48.2	Very low	123 Å²	123	90.1 Å²	90.1	54%	0.535	47%	0.466	S	S	.	.	H	α-helix	trans	-66.9	-41.3	175	-173.2	-177.7	178.4	-164	0	111.9	K998 E999 V1000 M1004 E1005 E1006	K998-K1002 WeakPolarHBondContact O-CB 3.15Å; K998-K1002 PolarHBondContact O-N 2.94Å; E999-K1002 PolarHBondContact O-N 3.36Å; V1000-K1002 VanDerWaalsContact C-N 3.33Å; V1000-K1002 PolarHBondContact O-N 2.79Å; K1002-M1004 VanDerWaalsContact C-N 3.29Å; K1002-M1004 PolarHBondContact O-N 2.82Å; K1002-E1005 PolarHBondContact O-N 2.74Å; K1002-E1006 WeakPolarHBondContact CE-OE1 3.29Å; K1002-E1006 IonicContact NZ-OE1 2.68Å; K1002-E1006 WeakPolarHBondContact O-CB 3.48Å; K1002-E1006 VanDerWaalsContact O-CG 3.25Å; K1002-E1006 WeakPolarHBondContact O-CG 3.4Å; K1002-E1006 PolarHBondContact O-N 3.36Å
1003	S	52.8	Low	48.2	Very low	67 Å²	67	91.8 Å²	91.8	47%	0.469	48%	0.48	S	S	.	.	H	α-helix	trans	-64.6	-34.2	174.1	-179.2	0	0	0	0	111.9	E999 V1000 A1007	E999-S1003 VanDerWaalsContact O-CB 3.29Å; E999-S1003 WeakPolarHBondContact O-CB 3.31Å; E999-S1003 PolarHBondContact O-N 2.88Å; V1000-S1003 PolarHBondContact O-N 3.27Å; S1003-A1007 WeakPolarHBondContact O-CB 3.29Å; S1003-A1007 PolarHBondContact O-N 2.82Å
1004	M	50.6	Low	47.9	Very low	47 Å²	47	95 Å²	95	23%	0.232	49%	0.494	C	S	.	.	H	α-helix	trans	-66.1	-47.4	171.7	-76	174.7	73.8	0	0	112	H638 V1000 T1001 K1002 E1006 A1007 Q1008	H638-M1004 WeakPolarHBondContact CE1-CG 3.33Å; V1000-M1004 HydrophobicContact CG1-SD 4.29Å; V1000-M1004 WeakPolarHBondContact O-CB 2.99Å; V1000-M1004 VanDerWaalsContact O-CG 3.27Å; V1000-M1004 WeakPolarHBondContact O-CG 3.31Å; V1000-M1004 PolarHBondContact O-N 2.88Å; T1001-M1004 WeakPolarHBondContact O-CB 3.34Å; T1001-M1004 PolarHBondContact O-N 3.14Å; K1002-M1004 VanDerWaalsContact C-N 3.29Å; K1002-M1004 PolarHBondContact O-N 2.82Å; M1004-E1006 VanDerWaalsContact C-N 3.3Å; M1004-E1006 PolarHBondContact O-N 2.86Å; M1004-A1007 PolarHBondContact O-N 3.11Å; M1004-Q1008 VanDerWaalsContact O-CB 3.3Å; M1004-Q1008 WeakPolarHBondContact O-CB 3.41Å; M1004-Q1008 WeakPolarHBondContact O-CG 3.37Å; M1004-Q1008 PolarHBondContact O-N 2.85Å
1005	E	54	Low	47.6	Very low	111 Å²	111	98.6 Å²	98.6	52%	0.519	51%	0.513	S	S	.	.	H	α-helix	trans	-60.3	-42.1	175.6	-73.6	174.5	176.7	0	0	110.6	T1001 K1002 Q1008 L1009	T1001-E1005 WeakPolarHBondContact O-CG 3.15Å; T1001-E1005 PolarHBondContact O-N 3.37Å; K1002-E1005 PolarHBondContact O-N 2.74Å; E1005-Q1008 PolarHBondContact O-N 2.99Å; E1005-L1009 VanDerWaalsContact O-CB 3.26Å; E1005-L1009 WeakPolarHBondContact O-CB 3.41Å; E1005-L1009 VanDerWaalsContact O-CD1 3.32Å; E1005-L1009 WeakPolarHBondContact O-CD1 3.47Å; E1005-L1009 VanDerWaalsContact O-CG 3.28Å; E1005-L1009 WeakPolarHBondContact O-CG 3.41Å; E1005-L1009 PolarHBondContact O-N 3.01Å
1006	E	55.7	Low	47.1	Very low	106 Å²	106	99 Å²	99	50%	0.495	52%	0.519	S	S	.	.	H	α-helix	trans	-67.5	-39.1	176.2	-73.3	173.4	-177.3	0	0	112.7	K1002 M1004 L1009 A1010	K1002-E1006 WeakPolarHBondContact CE-OE1 3.29Å; K1002-E1006 IonicContact NZ-OE1 2.68Å; K1002-E1006 WeakPolarHBondContact O-CB 3.48Å; K1002-E1006 VanDerWaalsContact O-CG 3.25Å; K1002-E1006 WeakPolarHBondContact O-CG 3.4Å; K1002-E1006 PolarHBondContact O-N 3.36Å; M1004-E1006 VanDerWaalsContact C-N 3.3Å; M1004-E1006 PolarHBondContact O-N 2.86Å; E1006-L1009 PolarHBondContact O-N 3.41Å; E1006-A1010 PolarHBondContact O-N 3.45Å
1007	A	48.5	Very low	46.8	Very low	24 Å²	24	100.6 Å²	100.6	20%	0.198	53%	0.527	C	S	.	.	H	α-helix	trans	-70.6	-35	175.5	0	0	0	0	0	112.2	S1003 M1004 A1010 Q1011	S1003-A1007 WeakPolarHBondContact O-CB 3.29Å; S1003-A1007 PolarHBondContact O-N 2.82Å; M1004-A1007 PolarHBondContact O-N 3.11Å; A1007-A1010 PolarHBondContact O-N 2.93Å; A1007-Q1011 PolarHBondContact O-N 3.32Å
1008	Q	44.8	Very low	46.1	Very low	97 Å²	97	102.7 Å²	102.7	45%	0.453	54%	0.535	S	S	.	.	H	α-helix	trans	-70.9	-39.2	172.9	-80	178.5	-12.1	0	0	111.9	M1004 E1005 A1010 Q1011	M1004-Q1008 VanDerWaalsContact O-CB 3.3Å; M1004-Q1008 WeakPolarHBondContact O-CB 3.41Å; M1004-Q1008 WeakPolarHBondContact O-CG 3.37Å; M1004-Q1008 PolarHBondContact O-N 2.85Å; E1005-Q1008 PolarHBondContact O-N 2.99Å; Q1008-A1010 PolarHBondContact O-N 2.89Å; Q1008-Q1011 CarbonylContact O-C 3.57Å; Q1008-Q1011 PolarHBondContact O-N 3.2Å
1009	L	47.3	Very low	45.1	Very low	116 Å²	116	101.5 Å²	101.5	61%	0.607	53%	0.532	S	S	*	.	H	α-helix	trans	-63.4	-30	171.7	-83	156.7	0	0	0	111.9	E1005 E1006 Q1011	E1005-L1009 VanDerWaalsContact O-CB 3.26Å; E1005-L1009 WeakPolarHBondContact O-CB 3.41Å; E1005-L1009 VanDerWaalsContact O-CD1 3.32Å; E1005-L1009 WeakPolarHBondContact O-CD1 3.47Å; E1005-L1009 VanDerWaalsContact O-CG 3.28Å; E1005-L1009 WeakPolarHBondContact O-CG 3.41Å; E1005-L1009 PolarHBondContact O-N 3.01Å; E1006-L1009 PolarHBondContact O-N 3.41Å; L1009-Q1011 VanDerWaalsContact C-N 3.26Å; L1009-Q1011 PolarHBondContact O-N 2.88Å
1010	A	47.5	Very low	44.2	Very low	86 Å²	86	101.6 Å²	101.6	71%	0.711	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-12.2	172.9	0	0	0	0	0	113.9	E1006 A1007 Q1008	E1006-A1010 PolarHBondContact O-N 3.45Å; A1007-A1010 PolarHBondContact O-N 2.93Å; Q1008-A1010 PolarHBondContact O-N 2.89Å
1011	Q	40.5	Very low	43.4	Very low	114 Å²	114	103.9 Å²	103.9	53%	0.533	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	46.3	177.7	-85.9	179.6	-11.7	0	0	112	A1007 Q1008 L1009 V1013	A1007-Q1011 PolarHBondContact O-N 3.32Å; Q1008-Q1011 CarbonylContact O-C 3.57Å; Q1008-Q1011 PolarHBondContact O-N 3.2Å; L1009-Q1011 VanDerWaalsContact C-N 3.26Å; L1009-Q1011 PolarHBondContact O-N 2.88Å; Q1011-V1013 VanDerWaalsContact C-N 3.34Å; Q1011-V1013 PolarHBondContact O-N 2.99Å
1012	E	37.8	Very low	42.5	Very low	156 Å²	156	108.1 Å²	108.1	73%	0.729	55%	0.551	S	S	*	*			trans	-72.3	85	167.9	-80.9	-170.3	156.6	0	0	111.6
1013	V	39.9	Very low	41.5	Very low	134 Å²	134	108.9 Å²	108.9	81%	0.812	56%	0.557	S	S	*	*	S	Bend	trans	-170.9	91.6	132.6	173.9	0	0	0	0	107.5	Q1011	Q1011-V1013 VanDerWaalsContact C-N 3.34Å; Q1011-V1013 PolarHBondContact O-N 2.99Å
1014	K	34.9	Very low	40.9	Very low	161 Å²	161	110 Å²	110	70%	0.7	56%	0.555	S	S	*	*			trans	172.1	86.3	142.8	-97.6	172.7	-178.1	-176.8	0	110.4	N1016 I1017	K1014-N1016 PolarHBondContact O-N 3.29Å; K1014-I1017 HydrophobicContact CB-CD1 4.47Å
1015	V	34.4	Very low	40.4	Very low	131 Å²	131	110.4 Å²	110.4	79%	0.794	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	15.4	179.2	175.1	0	0	0	0	113.8
1016	N	33	Very low	39.5	Very low	128 Å²	128	107.2 Å²	107.2	68%	0.684	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-7	-179.2	-78.3	-1.2	0	0	0	115.5	K1014	K1014-N1016 PolarHBondContact O-N 3.29Å
1017	I	39.1	Very low	39.2	Very low	88 Å²	88	107.7 Å²	107.7	45%	0.451	55%	0.545	S	S	.	.	S	Bend	trans	-90.8	-31.3	-176.3	-65.6	163	0	0	0	112	K1014 Q1019 E1020 E1021	K1014-I1017 HydrophobicContact CB-CD1 4.47Å; I1017-Q1019 PolarHBondContact O-N 3.27Å; I1017-E1020 PolarHBondContact O-N 2.96Å; I1017-E1021 HydrophobicContact CG2-CG 4.42Å; I1017-E1021 PolarHBondContact O-N 3.04Å; I1017-E1021 VanDerWaalsContact O-N 3.1Å
1018	I	32.6	Very low	39	Very low	107 Å²	107	111.4 Å²	111.4	55%	0.549	57%	0.566	S	S	.	*	H	α-helix	trans	-63.2	-28	177.7	-61.6	172	0	0	0	111.1	Y1022	I1018-Y1022 WeakPolarHBondContact O-CB 3.46Å; I1018-Y1022 PolarHBondContact O-N 2.91Å; I1018-Y1022 VanDerWaalsContact O-N 3.08Å
1019	Q	32.3	Very low	38.5	Very low	120 Å²	120	116 Å²	116	56%	0.561	58%	0.584	S	S	*	*	H	α-helix	trans	-78.5	-26.5	-179.4	-141.4	165.6	13.7	0	0	113.2	I1017 Q1023	I1017-Q1019 PolarHBondContact O-N 3.27Å; Q1019-Q1023 VanDerWaalsContact O-CB 3.3Å; Q1019-Q1023 WeakPolarHBondContact O-CB 3.49Å; Q1019-Q1023 WeakPolarHBondContact O-CG 3.48Å; Q1019-Q1023 PolarHBondContact O-N 2.94Å; Q1019-Q1023 PolarHBondContact O-OE1 2.91Å
1020	E	35.4	Very low	38.4	Very low	133 Å²	133	113.2 Å²	113.2	62%	0.621	58%	0.584	S	S	*	*	H	α-helix	trans	-83.2	-43.5	175.5	-75.7	179.2	165	0	0	111.3	I1017 Y1022 Q1023 E1024	I1017-E1020 PolarHBondContact O-N 2.96Å; E1020-Y1022 PolarHBondContact O-N 3.39Å; E1020-Q1023 WeakPolarHBondContact O-CB 3.33Å; E1020-Q1023 PolarHBondContact O-N 3.03Å; E1020-Q1023 VanDerWaalsContact O-N 3.14Å; E1020-E1024 WeakPolarHBondContact O-CB 3.23Å; E1020-E1024 PolarHBondContact O-N 3.32Å
1021	E	37	Very low	37.7	Very low	75 Å²	75	116.8 Å²	116.8	35%	0.35	58%	0.579	S	S	.	*	H	α-helix	trans	-69.8	-33.4	176.2	-69.6	-161.8	177.1	0	0	113	K642 I1017 Q1023 E1024 Y1025	K642-E1021 IonicContact NZ-OE2 3.92Å; K642-E1021 PolarHBondContact NZ-OE2 3.36Å; I1017-E1021 HydrophobicContact CG2-CG 4.42Å; I1017-E1021 PolarHBondContact O-N 3.04Å; I1017-E1021 VanDerWaalsContact O-N 3.1Å; E1021-Q1023 VanDerWaalsContact C-N 3.28Å; E1021-Q1023 PolarHBondContact O-N 3.08Å; E1021-E1024 PolarHBondContact O-N 2.75Å; E1021-Y1025 WeakPolarHBondContact O-CD2 3.19Å; E1021-Y1025 PolarHBondContact O-N 3.07Å; E1021-Y1025 VanDerWaalsContact O-N 3.13Å
1022	Y	35.9	Very low	37.8	Very low	146 Å²	146	114 Å²	114	57%	0.573	57%	0.572	S	S	*	*	H	α-helix	trans	-73.5	-20.5	172.6	-156.4	-85	0	0	0	112.2	I1018 E1020 C1026	I1018-Y1022 WeakPolarHBondContact O-CB 3.46Å; I1018-Y1022 PolarHBondContact O-N 2.91Å; I1018-Y1022 VanDerWaalsContact O-N 3.08Å; E1020-Y1022 PolarHBondContact O-N 3.39Å; Y1022-C1026 HydrophobicContact CD1-CB 4.06Å; Y1022-C1026 HydrophobicContact CE1-CB 4.02Å; Y1022-C1026 HydrophobicContact CG-CB 4.42Å; Y1022-C1026 WeakPolarHBondContact O-CB 3.42Å
1023	Q	36.7	Very low	38.1	Very low	139 Å²	139	113 Å²	113	65%	0.65	57%	0.571	S	S	*	*	H	α-helix	trans	-82.1	-31.2	170.2	-87.3	177	-27.4	0	0	112.7	Q1019 E1020 E1021	Q1019-Q1023 VanDerWaalsContact O-CB 3.3Å; Q1019-Q1023 WeakPolarHBondContact O-CB 3.49Å; Q1019-Q1023 WeakPolarHBondContact O-CG 3.48Å; Q1019-Q1023 PolarHBondContact O-N 2.94Å; Q1019-Q1023 PolarHBondContact O-OE1 2.91Å; E1020-Q1023 WeakPolarHBondContact O-CB 3.33Å; E1020-Q1023 PolarHBondContact O-N 3.03Å; E1020-Q1023 VanDerWaalsContact O-N 3.14Å; E1021-Q1023 VanDerWaalsContact C-N 3.28Å; E1021-Q1023 PolarHBondContact O-N 3.08Å
1024	E	40.7	Very low	38.2	Very low	92 Å²	92	112.3 Å²	112.3	43%	0.43	56%	0.555	S	S	.	*	H	α-helix	trans	-80.9	-27.8	-177.9	-156.8	179.4	-173.1	0	0	112.2	K694 E1020 E1021	K694-E1024 IonicContact NZ-OE1 3.54Å; K694-E1024 PolarHBondContact NZ-OE1 2.88Å; E1020-E1024 WeakPolarHBondContact O-CB 3.23Å; E1020-E1024 PolarHBondContact O-N 3.32Å; E1021-E1024 PolarHBondContact O-N 2.75Å
1025	Y	40.5	Very low	38.7	Very low	55 Å²	55	107.5 Å²	107.5	22%	0.216	54%	0.539	C	S	.	.	H	α-helix	trans	-129.8	-0.2	-171	-59.8	-79.9	0	0	0	117.8	E1021	E1021-Y1025 WeakPolarHBondContact O-CD2 3.19Å; E1021-Y1025 PolarHBondContact O-N 3.07Å; E1021-Y1025 VanDerWaalsContact O-N 3.13Å
1026	C	35.2	Very low	39.3	Very low	43 Å²	43	104.7 Å²	104.7	29%	0.291	52%	0.519	S	S	.	.			trans	-108.6	121.7	173.1	-73	0	0	0	0	111.7	Y1022 T1028	Y1022-C1026 HydrophobicContact CD1-CB 4.06Å; Y1022-C1026 HydrophobicContact CE1-CB 4.02Å; Y1022-C1026 HydrophobicContact CG-CB 4.42Å; Y1022-C1026 WeakPolarHBondContact O-CB 3.42Å; C1026-T1028 VanDerWaalsContact C-N 3.26Å; C1026-T1028 PolarHBondContact O-N 2.87Å
1027	Q	49.5	Very low	40.1	Very low	116 Å²	116	103.1 Å²	103.1	54%	0.542	51%	0.51	S	S	.	.	S	Bend	trans	-64.4	91.4	156.9	-71.2	-172.4	4.5	0	0	108.3
1028	T	44.3	Very low	40.5	Very low	103 Å²	103	101.5 Å²	101.5	63%	0.632	50%	0.501	S	S	*	.			trans	171.8	95	132.3	47.9	0	0	0	0	110.8	C1026	C1026-T1028 VanDerWaalsContact C-N 3.26Å; C1026-T1028 PolarHBondContact O-N 2.87Å
1029	K	34	Very low	41.5	Very low	193 Å²	193	99.6 Å²	99.6	84%	0.839	49%	0.489	S	S	*	.	S	Bend	trans	-131.6	86.5	130.6	-86.1	-165.2	178.6	176.4	0	109.2
1030	G	44.6	Very low	42.6	Very low	58 Å²	58	98.1 Å²	98.1	60%	0.598	49%	0.485	S	S	*	.	S	Bend	trans	160	137.6	174.1	0	0	0	0	0	109.9	S1032	G1030-S1032 PolarHBondContact O-N 2.8Å
1031	R	34.3	Very low	43.2	Very low	160 Å²	160	97.7 Å²	97.7	60%	0.604	48%	0.477	S	S	*	.			trans	-59.4	122.5	165.4	-70.1	177.9	173	-163.2	-17.3	106.3	L1033 L1036 E1039	R1031-L1033 PolarHBondContact O-N 3.06Å; R1031-L1036 HydrophobicContact CB-CD1 4Å; R1031-E1039 IonicContact CZ-OE1 2.64Å; R1031-E1039 IonicContact CZ-OE2 3.9Å; R1031-E1039 IonicContact NE-OE1 4Å; R1031-E1039 IonicContact NE-OE2 3.64Å; R1031-E1039 IonicContact NH1-OE1 3.22Å; R1031-E1039 IonicContact NH1-OE2 3.23Å; R1031-E1039 PolarHBondContact NH1-OE2 2.73Å; R1031-E1039 IonicContact NH2-OE1 2.73Å; R1031-E1039 PolarHBondContact NH2-OE1 3.31Å; R1031-E1039 IonicContact NH2-OE2 3.34Å; R1031-E1039 PolarHBondContact NH2-OE2 2.94Å
1032	S	42.4	Very low	43.9	Very low	56 Å²	56	97.7 Å²	97.7	39%	0.392	48%	0.48	S	S	.	.			trans	-58	145.6	171.5	81	0	0	0	0	107.9	G1030 Y1034 T1035 L1036	G1030-S1032 PolarHBondContact O-N 2.8Å; S1032-Y1034 PolarHBondContact O-N 3.26Å; S1032-Y1034 PolarHBondContact OG-N 3.22Å; S1032-T1035 WeakPolarHBondContact O-CA 3.34Å; S1032-T1035 WeakPolarHBondContact O-CB 3.32Å; S1032-T1035 PolarHBondContact O-N 2.91Å; S1032-T1035 PolarHBondContact OG-N 2.99Å; S1032-T1035 PolarHBondContact OG-OG1 2.8Å; S1032-L1036 PolarHBondContact O-N 3.44Å
1033	L	42.3	Very low	44.6	Very low	136 Å²	136	96.2 Å²	96.2	71%	0.712	48%	0.481	S	S	*	.	H	α-helix	trans	-51.7	-34.7	175.3	-170	77.6	0	0	0	110.2	R1031 L1036 L1037	R1031-L1033 PolarHBondContact O-N 3.06Å; L1033-L1036 PolarHBondContact O-N 2.93Å; L1033-L1037 HydrophobicContact CD2-CD1 4.37Å; L1033-L1037 HydrophobicContact CG-CD1 4.1Å; L1033-L1037 HydrophobicContact CG-CG 4.5Å; L1033-L1037 VanDerWaalsContact O-CB 3.31Å; L1033-L1037 WeakPolarHBondContact O-CB 3.46Å; L1033-L1037 WeakPolarHBondContact O-CG 3.31Å; L1033-L1037 PolarHBondContact O-N 3.02Å
1034	Y	43.1	Very low	45	Very low	119 Å²	119	93.5 Å²	93.5	47%	0.467	48%	0.482	S	S	.	.	H	α-helix	trans	-62.9	-44.7	173.7	-173.3	-89.9	0	0	0	113.3	S1032 L1036 L1037 E1038	S1032-Y1034 PolarHBondContact O-N 3.26Å; S1032-Y1034 PolarHBondContact OG-N 3.22Å; Y1034-L1036 VanDerWaalsContact C-N 3.31Å; Y1034-L1036 PolarHBondContact O-N 2.84Å; Y1034-L1037 PolarHBondContact O-N 3.17Å; Y1034-E1038 HydrophobicContact CD1-CG 4.3Å; Y1034-E1038 HydrophobicContact CE1-CG 3.78Å; Y1034-E1038 PolarHBondContact O-N 3.46Å
1035	T	45.1	Very low	45.2	Very low	60 Å²	60	95.2 Å²	95.2	37%	0.368	49%	0.494	S	S	.	.	H	α-helix	trans	-65	-37.3	175.3	-40.4	0	0	0	0	111.3	S1032 E1039	S1032-T1035 WeakPolarHBondContact O-CA 3.34Å; S1032-T1035 WeakPolarHBondContact O-CB 3.32Å; S1032-T1035 PolarHBondContact O-N 2.91Å; S1032-T1035 PolarHBondContact OG-N 2.99Å; S1032-T1035 PolarHBondContact OG-OG1 2.8Å; T1035-E1039 WeakPolarHBondContact O-CB 3.47Å; T1035-E1039 WeakPolarHBondContact O-CG 3.12Å; T1035-E1039 PolarHBondContact O-N 3.42Å
1036	L	47.2	Very low	45.3	Very low	71 Å²	71	98.2 Å²	98.2	37%	0.372	51%	0.513	S	S	.	.	H	α-helix	trans	-67.4	-39.3	175.8	-149	114	0	0	0	111.1	R1031 S1032 L1033 Y1034 I1040	R1031-L1036 HydrophobicContact CB-CD1 4Å; S1032-L1036 PolarHBondContact O-N 3.44Å; L1033-L1036 PolarHBondContact O-N 2.93Å; Y1034-L1036 VanDerWaalsContact C-N 3.31Å; Y1034-L1036 PolarHBondContact O-N 2.84Å; L1036-I1040 HydrophobicContact CD2-CD1 3.97Å; L1036-I1040 WeakPolarHBondContact O-CB 3.16Å; L1036-I1040 WeakPolarHBondContact O-CD1 3.31Å; L1036-I1040 WeakPolarHBondContact O-CG1 3.21Å; L1036-I1040 PolarHBondContact O-N 3.23Å
1037	L	49.1	Very low	45.5	Very low	95 Å²	95	102.2 Å²	102.2	50%	0.497	53%	0.531	S	S	.	.	H	α-helix	trans	-72	-35	176.2	-73.2	171.1	0	0	0	112.6	L1033 Y1034 I1040 R1041	L1033-L1037 HydrophobicContact CD2-CD1 4.37Å; L1033-L1037 HydrophobicContact CG-CD1 4.1Å; L1033-L1037 HydrophobicContact CG-CG 4.5Å; L1033-L1037 VanDerWaalsContact O-CB 3.31Å; L1033-L1037 WeakPolarHBondContact O-CB 3.46Å; L1033-L1037 WeakPolarHBondContact O-CG 3.31Å; L1033-L1037 PolarHBondContact O-N 3.02Å; Y1034-L1037 PolarHBondContact O-N 3.17Å; L1037-I1040 PolarHBondContact O-N 2.66Å; L1037-R1041 WeakPolarHBondContact O-CB 3.48Å; L1037-R1041 PolarHBondContact O-N 2.89Å
1038	E	49	Very low	45.3	Very low	55 Å²	55	103.7 Å²	103.7	26%	0.257	55%	0.548	S	S	.	.	H	α-helix	trans	-69.1	-42.6	170.9	-84	-150.9	137.4	0	0	111.7	Y1034 I1040 R1041 D1042	Y1034-E1038 HydrophobicContact CD1-CG 4.3Å; Y1034-E1038 HydrophobicContact CE1-CG 3.78Å; Y1034-E1038 PolarHBondContact O-N 3.46Å; E1038-I1040 VanDerWaalsContact C-N 3.3Å; E1038-I1040 PolarHBondContact O-N 3.07Å; E1038-R1041 CarbonylContact O-C 3.58Å; E1038-R1041 WeakPolarHBondContact O-CB 3.39Å; E1038-R1041 PolarHBondContact O-N 2.98Å; E1038-R1041 VanDerWaalsContact O-N 3.17Å; E1038-R1041 IonicContact OE1-CZ 3.2Å; E1038-R1041 IonicContact OE1-NH1 2.73Å; E1038-R1041 PolarHBondContact OE1-NH1 3.39Å; E1038-R1041 IonicContact OE1-NH2 3.46Å; E1038-R1041 PolarHBondContact OE1-NH2 3.2Å; E1038-D1042 VanDerWaalsContact O-CB 3.31Å; E1038-D1042 WeakPolarHBondContact O-CB 3.24Å; E1038-D1042 PolarHBondContact O-N 3.46Å
1039	E	52.3	Low	45.1	Very low	66 Å²	66	102.5 Å²	102.5	31%	0.308	54%	0.544	S	S	.	.	H	α-helix	trans	-60.9	-40.3	172.1	-79.4	-177.7	-174.4	0	0	111.1	R1031 T1035 D1042 L1043	R1031-E1039 IonicContact CZ-OE1 2.64Å; R1031-E1039 IonicContact CZ-OE2 3.9Å; R1031-E1039 IonicContact NE-OE1 4Å; R1031-E1039 IonicContact NE-OE2 3.64Å; R1031-E1039 IonicContact NH1-OE1 3.22Å; R1031-E1039 IonicContact NH1-OE2 3.23Å; R1031-E1039 PolarHBondContact NH1-OE2 2.73Å; R1031-E1039 IonicContact NH2-OE1 2.73Å; R1031-E1039 PolarHBondContact NH2-OE1 3.31Å; R1031-E1039 IonicContact NH2-OE2 3.34Å; R1031-E1039 PolarHBondContact NH2-OE2 2.94Å; T1035-E1039 WeakPolarHBondContact O-CB 3.47Å; T1035-E1039 WeakPolarHBondContact O-CG 3.12Å; T1035-E1039 PolarHBondContact O-N 3.42Å; E1039-D1042 PolarHBondContact O-N 2.76Å; E1039-L1043 WeakPolarHBondContact O-CB 3.38Å; E1039-L1043 WeakPolarHBondContact O-CD1 3.1Å; E1039-L1043 WeakPolarHBondContact O-CG 3.37Å; E1039-L1043 PolarHBondContact O-N 3.23Å
1040	I	56.8	Low	45.4	Very low	90 Å²	90	100.7 Å²	100.7	46%	0.462	54%	0.544	S	S	.	.	H	α-helix	trans	-65.3	-39.3	174.7	-71.8	163.7	0	0	0	111.2	L1036 L1037 E1038 A1044	L1036-I1040 HydrophobicContact CD2-CD1 3.97Å; L1036-I1040 WeakPolarHBondContact O-CB 3.16Å; L1036-I1040 WeakPolarHBondContact O-CD1 3.31Å; L1036-I1040 WeakPolarHBondContact O-CG1 3.21Å; L1036-I1040 PolarHBondContact O-N 3.23Å; L1037-I1040 PolarHBondContact O-N 2.66Å; E1038-I1040 VanDerWaalsContact C-N 3.3Å; E1038-I1040 PolarHBondContact O-N 3.07Å; I1040-A1044 VanDerWaalsContact O-CB 3.24Å; I1040-A1044 WeakPolarHBondContact O-CB 3.43Å; I1040-A1044 PolarHBondContact O-N 3.17Å
1041	R	47.9	Very low	45.3	Very low	123 Å²	123	105 Å²	105	46%	0.464	55%	0.553	S	S	.	*	H	α-helix	trans	-65.3	-45.2	175.3	-173.5	-169	71.5	-157.7	-6.3	111.2	L1037 E1038 L1043 A1044 L1045	L1037-R1041 WeakPolarHBondContact O-CB 3.48Å; L1037-R1041 PolarHBondContact O-N 2.89Å; E1038-R1041 CarbonylContact O-C 3.58Å; E1038-R1041 WeakPolarHBondContact O-CB 3.39Å; E1038-R1041 PolarHBondContact O-N 2.98Å; E1038-R1041 VanDerWaalsContact O-N 3.17Å; E1038-R1041 IonicContact OE1-CZ 3.2Å; E1038-R1041 IonicContact OE1-NH1 2.73Å; E1038-R1041 PolarHBondContact OE1-NH1 3.39Å; E1038-R1041 IonicContact OE1-NH2 3.46Å; E1038-R1041 PolarHBondContact OE1-NH2 3.2Å; R1041-L1043 VanDerWaalsContact C-N 3.34Å; R1041-A1044 CarbonylContact O-C 3.53Å; R1041-A1044 PolarHBondContact O-N 3.39Å; R1041-L1045 HydrophobicContact CG-CD1 4.28Å; R1041-L1045 VanDerWaalsContact O-CG 3.31Å; R1041-L1045 WeakPolarHBondContact O-CG 3.1Å; R1041-L1045 PolarHBondContact O-N 2.94Å
1042	D	50.9	Low	45.3	Very low	75 Å²	75	109 Å²	109	40%	0.401	57%	0.57	S	S	.	*	H	α-helix	trans	-71	-33.1	-179.1	-66.4	-6.8	0	0	0	110.6	E1038 E1039 L1045 L1046	E1038-D1042 VanDerWaalsContact O-CB 3.31Å; E1038-D1042 WeakPolarHBondContact O-CB 3.24Å; E1038-D1042 PolarHBondContact O-N 3.46Å; E1039-D1042 PolarHBondContact O-N 2.76Å; D1042-L1045 PolarHBondContact O-N 3.1Å; D1042-L1046 WeakPolarHBondContact O-CG 3.31Å; D1042-L1046 PolarHBondContact O-N 2.85Å; D1042-L1046 VanDerWaalsContact O-N 3.1Å
1043	L	50.4	Low	45.3	Very low	115 Å²	115	109.8 Å²	109.8	60%	0.602	59%	0.587	S	S	*	*	H	α-helix	trans	-68.8	-33.2	168.4	-75.3	166	0	0	0	112.7	E1039 R1041 L1045 L1046	E1039-L1043 WeakPolarHBondContact O-CB 3.38Å; E1039-L1043 WeakPolarHBondContact O-CD1 3.1Å; E1039-L1043 WeakPolarHBondContact O-CG 3.37Å; E1039-L1043 PolarHBondContact O-N 3.23Å; R1041-L1043 VanDerWaalsContact C-N 3.34Å; L1043-L1045 VanDerWaalsContact C-N 3.33Å; L1043-L1046 HydrophobicContact CD2-CD1 4.48Å; L1043-L1046 PolarHBondContact O-N 3.07Å
1044	A	45.8	Very low	44.9	Very low	82 Å²	82	115.3 Å²	115.3	68%	0.678	61%	0.614	S	S	*	*	H	α-helix	trans	-75.2	-21.9	174.3	0	0	0	0	0	113	I1040 R1041	I1040-A1044 VanDerWaalsContact O-CB 3.24Å; I1040-A1044 WeakPolarHBondContact O-CB 3.43Å; I1040-A1044 PolarHBondContact O-N 3.17Å; R1041-A1044 CarbonylContact O-C 3.53Å; R1041-A1044 PolarHBondContact O-N 3.39Å
1045	L	43.6	Very low	45	Very low	129 Å²	129	115.1 Å²	115.1	68%	0.675	62%	0.622	S	S	*	*	H	α-helix	trans	-86.1	-16.8	172.4	-70.3	168	0	0	0	112.8	R1041 D1042 L1043 D1047	R1041-L1045 HydrophobicContact CG-CD1 4.28Å; R1041-L1045 VanDerWaalsContact O-CG 3.31Å; R1041-L1045 WeakPolarHBondContact O-CG 3.1Å; R1041-L1045 PolarHBondContact O-N 2.94Å; D1042-L1045 PolarHBondContact O-N 3.1Å; L1043-L1045 VanDerWaalsContact C-N 3.33Å; L1045-D1047 VanDerWaalsContact C-N 3.32Å; L1045-D1047 PolarHBondContact O-N 3.44Å
1046	L	43.7	Very low	45	Very low	117 Å²	117	118 Å²	118	61%	0.613	64%	0.635	S	S	*	*	S	Bend	trans	-79.3	84.3	169.4	-77.7	162.1	0	0	0	109.3	D1042 L1043 V1048	D1042-L1046 WeakPolarHBondContact O-CG 3.31Å; D1042-L1046 PolarHBondContact O-N 2.85Å; D1042-L1046 VanDerWaalsContact O-N 3.1Å; L1043-L1046 HydrophobicContact CD2-CD1 4.48Å; L1043-L1046 PolarHBondContact O-N 3.07Å; L1046-V1048 WeakPolarHBondContact O-CG2 3.45Å; L1046-V1048 PolarHBondContact O-N 3.03Å
1047	D	39.3	Very low	44.9	Very low	127 Å²	127	120.6 Å²	120.6	68%	0.679	65%	0.65	S	S	*	*			trans	-53	103.3	172.6	-159.8	-8	0	0	0	111.1	L1045 S1049	L1045-D1047 VanDerWaalsContact C-N 3.32Å; L1045-D1047 PolarHBondContact O-N 3.44Å; D1047-S1049 PolarHBondContact O-N 2.62Å; D1047-S1049 VanDerWaalsContact OD1-CB 3.3Å; D1047-S1049 WeakPolarHBondContact OD1-CB 3.3Å; D1047-S1049 PolarHBondContact OD1-OG 3.03Å; D1047-S1049 PolarHBondContact OD2-OG 3.23Å
1048	V	45.1	Very low	44.6	Very low	148 Å²	148	122.1 Å²	122.1	90%	0.897	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	38.8	174.8	-163	0	0	0	0	110.7	L1046	L1046-V1048 WeakPolarHBondContact O-CG2 3.45Å; L1046-V1048 PolarHBondContact O-N 3.03Å
1049	S	40.9	Very low	44.4	Very low	78 Å²	78	126.3 Å²	126.3	55%	0.545	68%	0.684	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.6	6.6	176.4	65.4	0	0	0	0	114.4	D1047	D1047-S1049 PolarHBondContact O-N 2.62Å; D1047-S1049 VanDerWaalsContact OD1-CB 3.3Å; D1047-S1049 WeakPolarHBondContact OD1-CB 3.3Å; D1047-S1049 PolarHBondContact OD1-OG 3.03Å; D1047-S1049 PolarHBondContact OD2-OG 3.23Å
1050	N	39.5	Very low	43.9	Very low	154 Å²	154	130.3 Å²	130.3	82%	0.824	71%	0.709	S	S	*	*			trans	-115.1	74.2	171.2	-90.2	-16.7	0	0	0	112.5
1051	N	41.7	Very low	42.9	Very low	150 Å²	150	133.2 Å²	133.2	80%	0.802	73%	0.727	S	S	*	*			trans	-152.6	72.6	154.8	-118	-8.1	0	0	0	111.2
1052	Y	36.1	Very low	42.5	Very low	243 Å²	243	134 Å²	134	95%	0.953	75%	0.747	S	S	*	*	S	Bend	trans	-154.2	104.4	147.3	-89.1	-71.9	0	0	0	110.2
1053	G	41.5	Very low	41.8	Very low	73 Å²	73	138.9 Å²	138.9	75%	0.753	78%	0.776	S	S	*	*			trans	102	108.3	135.2	0	0	0	0	0	119.6
1054	I	34.5	Very low	41.1	Very low	251 Å²	251	141.1 Å²	141.1	100%	1.287	79%	0.791	S	S	*	*			trans	91	0	153.8	-51.3	176.8	0	0	0	116.5

Retrieved 1,054 of 1,054 residues in 386.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).