A0A087XX64_POEFO Loading...

DNA excision repair protein ERCC-6-like

DNA helicase that acts as a tension sensor that associates with catenated DNA which is stretched under tension until it is resolved during anaphase. Functions as ATP-dependent DNA translocase. Can promote Holliday junction branch migration (in vitro).

AlphaFold DB , UniProt , Accession A0A087XX64, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,198 aa.

						>A0A087XX64_POEFO|A0A087XX64
MNTEGCKDDAEVSEVSDRLEKSLCMEDQMETYSRLISDGKAVAKQGDIHQALKLFKQAFSIHQTPKLESRIKKIEELLAENDLEDEDDEFVNVNNSGLMLFKELHDRLYDYQRVGVSFLYGLYRDGRRGGVLADDMGLGKTIQIISFLSGMYDNDLIKHTLLVMPTSLITNWVKEFSKWTPGMRVKDFHGASKAERTRSLEKVQRRGGVIITTYTMLMNNWQQLASFQGKEFCWDYMILDEAHKIKNSSTKTAKSAYAIPSKNRILLTGTPVQNNLREMWTLFDFACQGTLLGTAKTFKTEYENPITRAREKDATPGEKALGSRMSENLMTLIKPYFLRRTKSEVQKKKTGGKEANSEPDNHQNPQPTSGAVMPKLTRKNDLIVWTYLSAVQEDIYRQFISLDHIKELLMTTKSPLAELNILKKLCDHPRLLSANAIAQFGLDQNPEGENDETDVKSIANVSDETLISESGKLVFLLALLERLREEGHRTLVFAHYRTVLDILQRILGNRGFKLLRLDGTITQITEREKLISRFQTDKRYSVFLLTTQVGGVGITLTAANRVVIYDPSWNPATDAQAVDRAYRIGQTENVVIYRLITCGTVEEKIYRRQVFKDSLIRQNTGDTKNPFRYFSRQELKELFTLEDPRSSSTQLQLQGLHSRQRRTDPALDEHIAQLHAMHMFGISDHDLMFSLDVNHDEDPEDQEACHYIEGRVQKAQELMKAESELQMQLAASMASSTEPAWLRQTPDNTRRRSNEKKPRNPMPGLPLPLPDPKVSLEVVDMDRSGSGGKQPHKESSNEVIDLSGDASAEPIGSSSGPDASLIEMTADEKPVRPTRTSETDQQNHSDSDLQQYDASRLSAGLESSHGNFNLELEDSDEDEGLDAADTEEEEQKLLTELQLNGSFSVQKSLTESLCRRTGVSDLDQSANGTANRTANESANESANESANESTNRTANESANESANESANESIVGTKRKRAAVIYDSDEEEQQLIGSFQVLGSSTPKMSPPRSRRSVTGNTSVVSNRSRLQLVIQDSDENESDEEEAEKVLGMNSEQEETAGETLHTEEEEEEEDDEDDEEASDQFSSAGGDSMAGSAQDEPRPEEERSCHGNGASPERLSLEESSVEAELASGEQMDRCAASGANPDSYESLVRSGKERISQNRPDDALDFFLRAIDLRPGDPEVQLITIQLYRQLSHRR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.3	Very low	49.1	Very low	243 Å²	243	147 Å²	147	100%	1.197	82%	0.82	S	S	*	*				0	139.1	0	-73.7	162.1	166.1	0	0	106.4
2	N	42.5	Very low	49.9	Very low	155 Å²	155	143.5 Å²	143.5	83%	0.829	81%	0.805	S	S	*	*			trans	-117.9	171.1	179	-93.3	24.7	0	0	0	110
3	T	43.8	Very low	50.5	Low	135 Å²	135	137.9 Å²	137.9	83%	0.828	78%	0.781	S	S	*	*			trans	58.6	86.9	167.9	59.3	0	0	0	0	117
4	E	46.1	Very low	50.9	Low	206 Å²	206	135.8 Å²	135.8	96%	0.963	76%	0.761	S	S	*	*				-153.3	142.8	122.2	-111.5	169.5	-162.2	0	0	108.1
5	G	49.6	Very low	51.7	Low	83 Å²	83	132.1 Å²	132.1	86%	0.856	74%	0.743	S	S	*	*			trans	111.7	69.7	-171.9	0	0	0	0	0	114.3
6	C	49.4	Very low	52.3	Low	120 Å²	120	127.4 Å²	127.4	81%	0.811	72%	0.721	S	S	*	*			trans	-162.2	93.9	166.2	-169.2	0	0	0	0	109
7	K	51.6	Low	52.5	Low	181 Å²	181	124.6 Å²	124.6	79%	0.787	70%	0.704	S	S	*	*	S	Bend	trans	-166	-35.6	170.4	-118.4	169.9	-175.8	-178.7	0	114.5
8	D	52.9	Low	52.8	Low	133 Å²	133	126.3 Å²	126.3	71%	0.711	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-25.9	-165.4	-51.8	-24.1	0	0	0	113.9	A10	D8-A10 PolarHBondContact O-N 3.13Å
9	D	54.1	Low	53.1	Low	138 Å²	138	125.1 Å²	125.1	74%	0.738	69%	0.689	S	S	*	*	H	α-helix	trans	-67.4	-21.2	-177.8	-59.1	-66	0	0	0	114.1	S13	D9-S13 PolarHBondContact O-N 3.16Å
10	A	54.5	Low	53.4	Low	72 Å²	72	125.4 Å²	125.4	60%	0.595	69%	0.685	S	S	*	*	H	α-helix	trans	-71.7	-41	-176.5	0	0	0	0	0	112.7	D8 E14	D8-A10 PolarHBondContact O-N 3.13Å; A10-E14 PolarHBondContact O-N 3.06Å
11	E	55.2	Low	53.6	Low	151 Å²	151	125.9 Å²	125.9	71%	0.706	68%	0.681	S	S	*	*	H	α-helix	trans	-71.1	-33.5	-179.4	-64.8	-169.6	152.7	0	0	111.7	E14 V15	E11-E14 PolarHBondContact O-N 2.94Å; E11-V15 WeakPolarHBondContact O-CB 3.39Å; E11-V15 VanDerWaalsContact O-CG2 3.3Å; E11-V15 WeakPolarHBondContact O-CG2 3.24Å; E11-V15 PolarHBondContact O-N 3.37Å
12	V	58.5	Low	54.3	Low	105 Å²	105	117.4 Å²	117.4	64%	0.636	65%	0.646	S	S	*	*	H	α-helix	trans	-67.9	-41.7	-179.8	-176.5	0	0	0	0	111.5	V15 S16	V12-V15 PolarHBondContact O-N 3.08Å; V12-S16 PolarHBondContact O-N 3.09Å
13	S	58.4	Low	55.1	Low	71 Å²	71	114.9 Å²	114.9	50%	0.497	63%	0.632	S	S	.	*	H	α-helix	trans	-60.1	-47.3	173.3	-175.3	0	0	0	0	111.3	D9 V15 S16 D17	D9-S13 PolarHBondContact O-N 3.16Å; S13-V15 VanDerWaalsContact C-N 3.32Å; S13-V15 PolarHBondContact O-N 3.25Å; S13-S16 PolarHBondContact O-N 2.99Å; S13-D17 PolarHBondContact O-N 2.98Å
14	E	56.4	Low	55.8	Low	108 Å²	108	111.5 Å²	111.5	51%	0.505	61%	0.612	S	S	.	*	H	α-helix	trans	-69.2	-30.7	-176.5	-150.9	-170.1	167.2	0	0	112.5	A10 E11 R18	A10-E14 PolarHBondContact O-N 3.06Å; E11-E14 PolarHBondContact O-N 2.94Å; E14-R18 VanDerWaalsContact CD-NH2 3.3Å; E14-R18 WeakPolarHBondContact O-CB 3.43Å; E14-R18 VanDerWaalsContact O-CD 3.23Å; E14-R18 WeakPolarHBondContact O-CD 3.42Å; E14-R18 WeakPolarHBondContact O-CG 3.44Å; E14-R18 PolarHBondContact O-N 3.01Å; E14-R18 IonicContact OE1-CZ 3.68Å; E14-R18 IonicContact OE1-NE 3.22Å; E14-R18 PolarHBondContact OE1-NE 3.21Å; E14-R18 IonicContact OE1-NH2 3.45Å; E14-R18 PolarHBondContact OE1-NH2 3.04Å; E14-R18 IonicContact OE2-NH2 3.18Å
15	V	62.2	Low	56.4	Low	81 Å²	81	107.7 Å²	107.7	49%	0.491	60%	0.596	S	S	.	*	H	α-helix	trans	-72	-38.4	173.3	169.8	0	0	0	0	112	E11 V12 S13 R18 L19	E11-V15 WeakPolarHBondContact O-CB 3.39Å; E11-V15 VanDerWaalsContact O-CG2 3.3Å; E11-V15 WeakPolarHBondContact O-CG2 3.24Å; E11-V15 PolarHBondContact O-N 3.37Å; V12-V15 PolarHBondContact O-N 3.08Å; S13-V15 VanDerWaalsContact C-N 3.32Å; S13-V15 PolarHBondContact O-N 3.25Å; V15-R18 PolarHBondContact O-N 3.25Å; V15-L19 HydrophobicContact CG1-CD1 4.08Å; V15-L19 PolarHBondContact O-N 3.26Å
16	S	60.6	Low	57	Low	56 Å²	56	109.3 Å²	109.3	39%	0.392	58%	0.582	S	S	.	*	H	α-helix	trans	-64.1	-49.1	176.4	-157.4	0	0	0	0	111.5	V12 S13 R18 L19 E20	V12-S16 PolarHBondContact O-N 3.09Å; S13-S16 PolarHBondContact O-N 2.99Å; S16-R18 PolarHBondContact O-N 2.85Å; S16-L19 PolarHBondContact O-N 3.26Å; S16-L19 VanDerWaalsContact O-N 3.08Å; S16-E20 PolarHBondContact O-N 3.5Å
17	D	57.3	Low	57.9	Low	80 Å²	80	108.9 Å²	108.9	43%	0.428	57%	0.571	S	S	.	*	H	α-helix	trans	-59.1	-31.2	177	-83.6	21.7	0	0	0	113	S13 K21	S13-D17 PolarHBondContact O-N 2.98Å; D17-K21 WeakPolarHBondContact O-CB 3.15Å; D17-K21 WeakPolarHBondContact O-CD 3.46Å; D17-K21 VanDerWaalsContact O-CG 3.24Å; D17-K21 WeakPolarHBondContact O-CG 3.36Å; D17-K21 PolarHBondContact O-N 3.24Å
18	R	57.7	Low	58.8	Low	155 Å²	155	103.9 Å²	103.9	59%	0.585	55%	0.55	S	S	*	*	H	α-helix	trans	-76.6	-37.4	175.9	-73.2	167.9	-175.8	-154.8	5.8	112	E14 V15 S16 S22	E14-R18 VanDerWaalsContact CD-NH2 3.3Å; E14-R18 WeakPolarHBondContact O-CB 3.43Å; E14-R18 VanDerWaalsContact O-CD 3.23Å; E14-R18 WeakPolarHBondContact O-CD 3.42Å; E14-R18 WeakPolarHBondContact O-CG 3.44Å; E14-R18 PolarHBondContact O-N 3.01Å; E14-R18 IonicContact OE1-CZ 3.68Å; E14-R18 IonicContact OE1-NE 3.22Å; E14-R18 PolarHBondContact OE1-NE 3.21Å; E14-R18 IonicContact OE1-NH2 3.45Å; E14-R18 PolarHBondContact OE1-NH2 3.04Å; E14-R18 IonicContact OE2-NH2 3.18Å; V15-R18 PolarHBondContact O-N 3.25Å; S16-R18 PolarHBondContact O-N 2.85Å; R18-S22 WeakPolarHBondContact O-CB 3.38Å; R18-S22 PolarHBondContact O-N 3.37Å
19	L	57.8	Low	59.8	Low	104 Å²	104	101.5 Å²	101.5	55%	0.545	54%	0.536	S	S	.	.	H	α-helix	trans	-68.2	-46.8	176.1	-88.1	161.2	0	0	0	112.1	V15 S16 K21 S22 L23	V15-L19 HydrophobicContact CG1-CD1 4.08Å; V15-L19 PolarHBondContact O-N 3.26Å; S16-L19 PolarHBondContact O-N 3.26Å; S16-L19 VanDerWaalsContact O-N 3.08Å; L19-K21 VanDerWaalsContact C-N 3.34Å; L19-K21 PolarHBondContact O-N 2.67Å; L19-S22 PolarHBondContact O-N 3.2Å; L19-S22 VanDerWaalsContact O-N 3.14Å; L19-L23 PolarHBondContact O-N 3.1Å
20	E	58.8	Low	60.9	Low	130 Å²	130	102.1 Å²	102.1	61%	0.607	54%	0.535	S	S	*	.	H	α-helix	trans	-63.6	-38.9	177.3	-69.4	-171.9	179.2	0	0	111.9	S16 C24	S16-E20 PolarHBondContact O-N 3.5Å; E20-C24 VanDerWaalsContact O-CB 3.26Å; E20-C24 WeakPolarHBondContact O-CB 3.5Å; E20-C24 PolarHBondContact O-N 3.36Å
21	K	56.9	Low	62.1	Low	137 Å²	137	102 Å²	102	60%	0.596	53%	0.527	S	S	*	.	H	α-helix	trans	-64.5	-36.5	172	-77.7	170.6	-175.9	147.2	0	113	D17 L19 M25	D17-K21 WeakPolarHBondContact O-CB 3.15Å; D17-K21 WeakPolarHBondContact O-CD 3.46Å; D17-K21 VanDerWaalsContact O-CG 3.24Å; D17-K21 WeakPolarHBondContact O-CG 3.36Å; D17-K21 PolarHBondContact O-N 3.24Å; L19-K21 VanDerWaalsContact C-N 3.34Å; L19-K21 PolarHBondContact O-N 2.67Å; K21-M25 WeakPolarHBondContact O-CG 3.38Å; K21-M25 PolarHBondContact O-N 2.91Å; K21-M25 VanDerWaalsContact O-N 3.14Å
22	S	57.1	Low	63.5	Low	65 Å²	65	96 Å²	96	46%	0.455	50%	0.498	S	S	.	.	H	α-helix	trans	-66.8	-46.7	177.9	-161.7	0	0	0	0	111.6	R18 L19 M25 E26	R18-S22 WeakPolarHBondContact O-CB 3.38Å; R18-S22 PolarHBondContact O-N 3.37Å; L19-S22 PolarHBondContact O-N 3.2Å; L19-S22 VanDerWaalsContact O-N 3.14Å; S22-M25 PolarHBondContact O-N 3.09Å; S22-E26 PolarHBondContact O-N 3.01Å; S22-E26 VanDerWaalsContact O-N 3.15Å
23	L	57.9	Low	64.6	Low	102 Å²	102	94.1 Å²	94.1	53%	0.534	49%	0.489	S	S	.	.	H	α-helix	trans	-64.3	-42	178	-68.7	167.9	0	0	0	111.7	L19 M25 E26 D27	L19-L23 PolarHBondContact O-N 3.1Å; L23-M25 VanDerWaalsContact C-N 3.26Å; L23-M25 PolarHBondContact O-N 3.45Å; L23-E26 PolarHBondContact O-N 3.14Å; L23-E26 VanDerWaalsContact O-N 3.13Å; L23-D27 PolarHBondContact O-N 3.13Å
24	C	58.1	Low	65.9	Low	63 Å²	63	99 Å²	99	43%	0.426	50%	0.497	S	S	.	.	H	α-helix	trans	-63.1	-31.4	177	-167.2	0	0	0	0	112.7	E20 Q28	E20-C24 VanDerWaalsContact O-CB 3.26Å; E20-C24 WeakPolarHBondContact O-CB 3.5Å; E20-C24 PolarHBondContact O-N 3.36Å; C24-Q28 WeakPolarHBondContact O-CB 3.45Å; C24-Q28 WeakPolarHBondContact O-CG 3.4Å; C24-Q28 PolarHBondContact O-N 3.37Å; C24-Q28 VanDerWaalsContact O-N 3.17Å; C24-Q28 PolarHBondContact SG-NE2 3.25Å
25	M	58.8	Low	67.3	Low	126 Å²	126	95.3 Å²	95.3	62%	0.621	48%	0.48	S	S	*	.	H	α-helix	trans	-72.6	-34.5	173.7	-71.9	-77.8	169.9	0	0	112.6	K21 S22 L23 M29	K21-M25 WeakPolarHBondContact O-CG 3.38Å; K21-M25 PolarHBondContact O-N 2.91Å; K21-M25 VanDerWaalsContact O-N 3.14Å; S22-M25 PolarHBondContact O-N 3.09Å; L23-M25 VanDerWaalsContact C-N 3.26Å; L23-M25 PolarHBondContact O-N 3.45Å; M25-M29 WeakPolarHBondContact O-CB 3.36Å; M25-M29 PolarHBondContact O-N 3.01Å
26	E	63.3	Low	68.5	Low	118 Å²	118	92.5 Å²	92.5	55%	0.551	46%	0.462	S	S	*	.	H	α-helix	trans	-68	-47.9	175.4	-70.4	179.9	145.4	0	0	111.3	S22 L23 Q28 M29 E30	S22-E26 PolarHBondContact O-N 3.01Å; S22-E26 VanDerWaalsContact O-N 3.15Å; L23-E26 PolarHBondContact O-N 3.14Å; L23-E26 VanDerWaalsContact O-N 3.13Å; E26-Q28 VanDerWaalsContact C-N 3.3Å; E26-Q28 PolarHBondContact O-N 3.13Å; E26-M29 PolarHBondContact O-N 3.09Å; E26-E30 PolarHBondContact O-N 3.02Å
27	D	68.6	Low	69.7	Low	110 Å²	110	93.2 Å²	93.2	59%	0.588	47%	0.467	S	S	*	.	H	α-helix	trans	-57.3	-41.1	174.4	-80.8	-20.5	0	0	0	112.3	L23 T31	L23-D27 PolarHBondContact O-N 3.13Å; D27-T31 WeakPolarHBondContact O-CB 3.29Å; D27-T31 PolarHBondContact O-N 3.15Å; D27-T31 PolarHBondContact O-OG1 3Å
28	Q	69.9	Low	71.1	Confident	76 Å²	76	92.5 Å²	92.5	36%	0.355	46%	0.463	S	S	.	.	H	α-helix	trans	-65.1	-39.1	175.1	-77.2	173.6	29.9	0	0	111.7	C24 E26 T31 Y32 I61	C24-Q28 WeakPolarHBondContact O-CB 3.45Å; C24-Q28 WeakPolarHBondContact O-CG 3.4Å; C24-Q28 PolarHBondContact O-N 3.37Å; C24-Q28 VanDerWaalsContact O-N 3.17Å; C24-Q28 PolarHBondContact SG-NE2 3.25Å; E26-Q28 VanDerWaalsContact C-N 3.3Å; E26-Q28 PolarHBondContact O-N 3.13Å; Q28-T31 PolarHBondContact O-N 3.04Å; Q28-Y32 VanDerWaalsContact O-CB 3.3Å; Q28-Y32 WeakPolarHBondContact O-CB 3.45Å; Q28-Y32 PolarHBondContact O-N 3.32Å; Q28-I61 HydrophobicContact CB-CG2 3.82Å; Q28-I61 HydrophobicContact CG-CG2 4.26Å; Q28-I61 WeakPolarHBondContact O-CG2 3.4Å
29	M	73.5	Confident	72.5	Confident	84 Å²	84	85.1 Å²	85.1	41%	0.414	44%	0.435	S	S	.	.	H	α-helix	trans	-74.3	-32.8	-179.3	-162.1	62.3	-177.4	0	0	113.1	M25 E26 Y32 S33	M25-M29 WeakPolarHBondContact O-CB 3.36Å; M25-M29 PolarHBondContact O-N 3.01Å; E26-M29 PolarHBondContact O-N 3.09Å; M29-Y32 HydrophobicContact CE-CD1 4.04Å; M29-Y32 HydrophobicContact CE-CE1 4.32Å; M29-Y32 HydrophobicContact SD-CD1 3.96Å; M29-S33 VanDerWaalsContact O-CB 3.31Å; M29-S33 WeakPolarHBondContact O-CB 3.44Å; M29-S33 PolarHBondContact O-N 2.86Å; M29-S33 PolarHBondContact O-OG 2.98Å
30	E	78.1	Confident	73.8	Confident	151 Å²	151	85.1 Å²	85.1	71%	0.706	43%	0.431	S	S	*	.	H	α-helix	trans	-65.2	-46.7	167.9	-70.6	-152.8	164.5	0	0	111.2	E26 Y32 S33 R34	E26-E30 PolarHBondContact O-N 3.02Å; E30-Y32 VanDerWaalsContact C-N 3.34Å; E30-Y32 PolarHBondContact O-N 2.73Å; E30-S33 PolarHBondContact O-N 3.4Å; E30-R34 WeakPolarHBondContact O-CB 3.26Å; E30-R34 PolarHBondContact O-N 2.76Å
31	T	78.9	Confident	75.2	Confident	70 Å²	70	81.1 Å²	81.1	43%	0.429	42%	0.42	S	S	.	.	H	α-helix	trans	-59.9	-44	178.2	-57.9	0	0	0	0	111.5	D27 Q28 R34 L35 I61	D27-T31 WeakPolarHBondContact O-CB 3.29Å; D27-T31 PolarHBondContact O-N 3.15Å; D27-T31 PolarHBondContact O-OG1 3Å; Q28-T31 PolarHBondContact O-N 3.04Å; T31-R34 PolarHBondContact O-N 3.02Å; T31-L35 HydrophobicContact CG2-CD1 4.23Å; T31-L35 WeakPolarHBondContact O-CG 3.26Å; T31-L35 PolarHBondContact O-N 2.93Å; T31-I61 HydrophobicContact CG2-CD1 3.74Å
32	Y	84.2	Confident	76.6	Confident	25 Å²	25	75.3 Å²	75.3	10%	0.098	40%	0.396	C	S	.	.	H	α-helix	trans	-58	-51.8	172.1	175	-103.6	0	0	0	111.7	Q28 M29 E30 R34 L35 I36 A58 H62 T64 L67	Q28-Y32 VanDerWaalsContact O-CB 3.3Å; Q28-Y32 WeakPolarHBondContact O-CB 3.45Å; Q28-Y32 PolarHBondContact O-N 3.32Å; M29-Y32 HydrophobicContact CE-CD1 4.04Å; M29-Y32 HydrophobicContact CE-CE1 4.32Å; M29-Y32 HydrophobicContact SD-CD1 3.96Å; E30-Y32 VanDerWaalsContact C-N 3.34Å; E30-Y32 PolarHBondContact O-N 2.73Å; Y32-R34 PolarHBondContact O-N 2.97Å; Y32-L35 PolarHBondContact O-N 3.04Å; Y32-I36 HydrophobicContact CD1-CG1 4.34Å; Y32-I36 HydrophobicContact CD2-CG1 4.25Å; Y32-I36 HydrophobicContact CE1-CG1 4Å; Y32-I36 HydrophobicContact CE2-CD1 4.1Å; Y32-I36 HydrophobicContact CE2-CG1 3.89Å; Y32-I36 HydrophobicContact CG-CG1 4.47Å; Y32-I36 WeakPolarHBondContact O-CB 3.47Å; Y32-I36 VanDerWaalsContact O-CG1 3.29Å; Y32-I36 WeakPolarHBondContact O-CG1 3.3Å; Y32-I36 PolarHBondContact O-N 2.84Å; Y32-A58 HydrophobicContact CD2-CB 3.82Å; Y32-A58 VanDerWaalsContact CD2-O 3.25Å; Y32-A58 WeakPolarHBondContact CD2-O 3.23Å; Y32-A58 HydrophobicContact CE2-CB 3.88Å; Y32-A58 WeakPolarHBondContact CE2-O 3.44Å; Y32-H62 HydrophobicContact CD1-CB 4.35Å; Y32-H62 HydrophobicContact CD2-CB 3.68Å; Y32-H62 HydrophobicContact CE1-CB 4.45Å; Y32-H62 HydrophobicContact CE2-CB 3.79Å; Y32-H62 HydrophobicContact CG-CB 3.97Å; Y32-T64 PolarHBondContact OH-OG1 3.46Å; Y32-L67 HydrophobicContact CE2-CD2 3.69Å
33	S	81.9	Confident	77.8	Confident	64 Å²	64	74.3 Å²	74.3	45%	0.448	39%	0.392	S	S	.	.	H	α-helix	trans	-59.5	-37	-178.6	-61.4	0	0	0	0	112.2	M29 E30 S37	M29-S33 VanDerWaalsContact O-CB 3.31Å; M29-S33 WeakPolarHBondContact O-CB 3.44Å; M29-S33 PolarHBondContact O-N 2.86Å; M29-S33 PolarHBondContact O-OG 2.98Å; E30-S33 PolarHBondContact O-N 3.4Å; S33-S37 PolarHBondContact O-N 3.15Å
34	R	85.3	Confident	79	Confident	175 Å²	175	78.4 Å²	78.4	66%	0.66	41%	0.405	S	S	*	.	H	α-helix	trans	-66.6	-52.2	174.2	-176.7	173.7	-179.4	167.3	1.9	112.4	E30 T31 Y32 I36 S37 D38	E30-R34 WeakPolarHBondContact O-CB 3.26Å; E30-R34 PolarHBondContact O-N 2.76Å; T31-R34 PolarHBondContact O-N 3.02Å; Y32-R34 PolarHBondContact O-N 2.97Å; R34-I36 PolarHBondContact O-N 2.94Å; R34-S37 CarbonylContact O-C 3.59Å; R34-S37 WeakPolarHBondContact O-CA 3.36Å; R34-S37 WeakPolarHBondContact O-CB 3.36Å; R34-S37 PolarHBondContact O-N 3.17Å; R34-D38 WeakPolarHBondContact CG-OD2 3.38Å; R34-D38 IonicContact NE-OD2 2.67Å; R34-D38 PolarHBondContact O-N 3.34Å
35	L	86.9	Confident	80.2	Confident	29 Å²	29	83 Å²	83	15%	0.152	42%	0.42	C	S	.	.	H	α-helix	trans	-58.6	-36.1	177.7	-70.5	167.9	0	0	0	112.2	T31 Y32 G39 L54 Q57 A58 I61	T31-L35 HydrophobicContact CG2-CD1 4.23Å; T31-L35 WeakPolarHBondContact O-CG 3.26Å; T31-L35 PolarHBondContact O-N 2.93Å; Y32-L35 PolarHBondContact O-N 3.04Å; L35-G39 PolarHBondContact O-N 3.05Å; L35-L54 HydrophobicContact CD2-CD2 3.78Å; L35-Q57 HydrophobicContact CD1-CB 4.16Å; L35-A58 HydrophobicContact CB-CB 3.9Å; L35-A58 HydrophobicContact CD1-CB 4.5Å; L35-I61 HydrophobicContact CD1-CD1 3.8Å
36	I	86.5	Confident	80.9	Confident	23 Å²	23	79.8 Å²	79.8	12%	0.118	42%	0.42	C	S	.	.	H	α-helix	trans	-67.8	-33.9	173.3	-67.6	-58.8	0	0	0	112.6	Y32 R34 K40 F55 A58 L67	Y32-I36 HydrophobicContact CD1-CG1 4.34Å; Y32-I36 HydrophobicContact CD2-CG1 4.25Å; Y32-I36 HydrophobicContact CE1-CG1 4Å; Y32-I36 HydrophobicContact CE2-CD1 4.1Å; Y32-I36 HydrophobicContact CE2-CG1 3.89Å; Y32-I36 HydrophobicContact CG-CG1 4.47Å; Y32-I36 WeakPolarHBondContact O-CB 3.47Å; Y32-I36 VanDerWaalsContact O-CG1 3.29Å; Y32-I36 WeakPolarHBondContact O-CG1 3.3Å; Y32-I36 PolarHBondContact O-N 2.84Å; R34-I36 PolarHBondContact O-N 2.94Å; I36-K40 HydrophobicContact CG2-CD 4.28Å; I36-K40 WeakPolarHBondContact O-CB 3.31Å; I36-K40 VanDerWaalsContact O-CD 3.24Å; I36-K40 WeakPolarHBondContact O-CD 3.46Å; I36-K40 WeakPolarHBondContact O-CG 3.49Å; I36-K40 PolarHBondContact O-N 2.84Å; I36-F55 HydrophobicContact CD1-CD1 3.9Å; I36-F55 HydrophobicContact CD1-CE1 4.23Å; I36-A58 HydrophobicContact CD1-CB 3.61Å; I36-A58 HydrophobicContact CG1-CB 4.01Å; I36-L67 HydrophobicContact CD1-CD1 3.61Å; I36-L67 HydrophobicContact CD1-CD2 3.92Å; I36-L67 HydrophobicContact CD1-CG 4.38Å
37	S	86.4	Confident	81.7	Confident	71 Å²	71	77.1 Å²	77.1	50%	0.497	41%	0.409	S	S	.	.	H	α-helix	trans	-71.6	-49.5	174.3	-175.3	0	0	0	0	111.3	S33 R34 K40 A41	S33-S37 PolarHBondContact O-N 3.15Å; R34-S37 CarbonylContact O-C 3.59Å; R34-S37 WeakPolarHBondContact O-CA 3.36Å; R34-S37 WeakPolarHBondContact O-CB 3.36Å; R34-S37 PolarHBondContact O-N 3.17Å; S37-K40 CarbonylContact O-C 3.56Å; S37-K40 WeakPolarHBondContact O-CA 3.25Å; S37-K40 WeakPolarHBondContact O-CB 3.49Å; S37-K40 PolarHBondContact O-N 2.99Å; S37-K40 VanDerWaalsContact O-N 3.08Å; S37-A41 PolarHBondContact O-N 3.17Å
38	D	86.6	Confident	82.4	Confident	64 Å²	64	75.2 Å²	75.2	34%	0.342	40%	0.398	S	S	.	.	H	α-helix	trans	-65.5	-44.6	-176.4	-63.8	-13.1	0	0	0	110.2	R34 K40 A41 V42 L54	R34-D38 WeakPolarHBondContact CG-OD2 3.38Å; R34-D38 IonicContact NE-OD2 2.67Å; R34-D38 PolarHBondContact O-N 3.34Å; D38-K40 VanDerWaalsContact C-N 3.25Å; D38-K40 PolarHBondContact O-N 2.84Å; D38-A41 WeakPolarHBondContact O-CB 3.42Å; D38-A41 PolarHBondContact O-N 2.95Å; D38-V42 WeakPolarHBondContact O-CG2 3.48Å; D38-V42 PolarHBondContact O-N 3.29Å; D38-L54 HydrophobicContact CB-CD1 4.46Å
39	G	86.2	Confident	82.9	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-62	-27.5	172.7	0	0	0	0	0	114.1	L35 A43 F55	L35-G39 PolarHBondContact O-N 3.05Å; G39-A43 WeakPolarHBondContact O-CB 3.29Å; G39-A43 PolarHBondContact O-N 3.27Å; G39-A43 VanDerWaalsContact O-N 3.08Å; G39-F55 VanDerWaalsContact O-CZ 3.28Å; G39-F55 WeakPolarHBondContact O-CZ 3.2Å
40	K	86.6	Confident	83.2	Confident	104 Å²	104	78 Å²	78	45%	0.452	41%	0.41	S	S	.	.	H	α-helix	trans	-79	-24.6	172.4	-76.9	169.3	-172.6	167.1	0	113.1	I36 S37 D38 K44 F55	I36-K40 HydrophobicContact CG2-CD 4.28Å; I36-K40 WeakPolarHBondContact O-CB 3.31Å; I36-K40 VanDerWaalsContact O-CD 3.24Å; I36-K40 WeakPolarHBondContact O-CD 3.46Å; I36-K40 WeakPolarHBondContact O-CG 3.49Å; I36-K40 PolarHBondContact O-N 2.84Å; S37-K40 CarbonylContact O-C 3.56Å; S37-K40 WeakPolarHBondContact O-CA 3.25Å; S37-K40 WeakPolarHBondContact O-CB 3.49Å; S37-K40 PolarHBondContact O-N 2.99Å; S37-K40 VanDerWaalsContact O-N 3.08Å; D38-K40 VanDerWaalsContact C-N 3.25Å; D38-K40 PolarHBondContact O-N 2.84Å; K40-K44 WeakPolarHBondContact O-CG 3.39Å; K40-F55 HydrophobicContact CG-CE1 4.43Å; K40-F55 HydrophobicContact CG-CZ 4.2Å
41	A	86.9	Confident	83.5	Confident	46 Å²	46	70.9 Å²	70.9	38%	0.38	38%	0.377	S	S	.	.	H	α-helix	trans	-76	-47.2	172.9	0	0	0	0	0	110.4	S37 D38 A43 K44 Q45	S37-A41 PolarHBondContact O-N 3.17Å; D38-A41 WeakPolarHBondContact O-CB 3.42Å; D38-A41 PolarHBondContact O-N 2.95Å; A41-A43 PolarHBondContact O-N 3.23Å; A41-K44 WeakPolarHBondContact O-CA 3.2Å; A41-K44 WeakPolarHBondContact O-CB 3.43Å; A41-K44 PolarHBondContact O-N 3.42Å; A41-Q45 WeakPolarHBondContact O-CG 3.47Å; A41-Q45 PolarHBondContact O-N 3.27Å
42	V	88	Confident	83.9	Confident	16 Å²	16	68.5 Å²	68.5	10%	0.097	36%	0.362	C	S	.	.	H	α-helix	trans	-61.7	-44.6	176.9	177.6	0	0	0	0	111.1	D38 K44 Q45 G46 D47 Q50 A51 L54	D38-V42 WeakPolarHBondContact O-CG2 3.48Å; D38-V42 PolarHBondContact O-N 3.29Å; V42-K44 PolarHBondContact O-N 3.01Å; V42-K44 VanDerWaalsContact O-N 3.09Å; V42-Q45 WeakPolarHBondContact O-CA 3.35Å; V42-Q45 WeakPolarHBondContact O-CB 3.36Å; V42-Q45 PolarHBondContact O-N 3.42Å; V42-G46 PolarHBondContact O-N 2.9Å; V42-D47 HydrophobicContact CG1-CB 3.82Å; V42-D47 WeakPolarHBondContact CG1-O 3.37Å; V42-Q50 HydrophobicContact CG1-CB 3.92Å; V42-Q50 HydrophobicContact CG1-CG 4.2Å; V42-A51 HydrophobicContact CB-CB 4.43Å; V42-A51 HydrophobicContact CG1-CB 4.18Å; V42-L54 HydrophobicContact CB-CD1 4.42Å; V42-L54 HydrophobicContact CG2-CD1 3.95Å
43	A	82.3	Confident	84	Confident	43 Å²	43	73.7 Å²	73.7	36%	0.355	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-12.5	173.1	0	0	0	0	0	114.9	G39 A41 A51	G39-A43 WeakPolarHBondContact O-CB 3.29Å; G39-A43 PolarHBondContact O-N 3.27Å; G39-A43 VanDerWaalsContact O-N 3.08Å; A41-A43 PolarHBondContact O-N 3.23Å; A43-A51 HydrophobicContact CB-CB 3.8Å
44	K	81.9	Confident	84.3	Confident	189 Å²	189	72 Å²	72	82%	0.822	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-9.9	170.5	-80.4	-179.7	172.9	-171.4	0	113.2	K40 A41 V42	K40-K44 WeakPolarHBondContact O-CG 3.39Å; A41-K44 WeakPolarHBondContact O-CA 3.2Å; A41-K44 WeakPolarHBondContact O-CB 3.43Å; A41-K44 PolarHBondContact O-N 3.42Å; V42-K44 PolarHBondContact O-N 3.01Å; V42-K44 VanDerWaalsContact O-N 3.09Å
45	Q	82.8	Confident	84.4	Confident	158 Å²	158	63.6 Å²	63.6	74%	0.738	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-4.2	178.2	-69.7	168.7	-31.3	0	0	112.4	A41 V42	A41-Q45 WeakPolarHBondContact O-CG 3.47Å; A41-Q45 PolarHBondContact O-N 3.27Å; V42-Q45 WeakPolarHBondContact O-CA 3.35Å; V42-Q45 WeakPolarHBondContact O-CB 3.36Å; V42-Q45 PolarHBondContact O-N 3.42Å
46	G	73.8	Confident	84.3	Confident	59 Å²	59	66.6 Å²	66.6	61%	0.608	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.3	-15.5	176.8	0	0	0	0	0	114.9	V42 I48	V42-G46 PolarHBondContact O-N 2.9Å; G46-I48 PolarHBondContact O-N 3.01Å; G46-I48 VanDerWaalsContact O-N 3.1Å
47	D	81.3	Confident	84.2	Confident	62 Å²	62	69.7 Å²	69.7	33%	0.332	36%	0.364	S	S	.	.			trans	-79.9	96	-179.1	-178.5	-12.2	0	0	0	111.3	V42 H49 Q50 A51	V42-D47 HydrophobicContact CG1-CB 3.82Å; V42-D47 WeakPolarHBondContact CG1-O 3.37Å; D47-H49 PolarHBondContact OD1-N 3.31Å; D47-Q50 VanDerWaalsContact OD1-CB 3.23Å; D47-Q50 WeakPolarHBondContact OD1-CB 3.44Å; D47-Q50 PolarHBondContact OD1-N 2.79Å; D47-Q50 WeakPolarHBondContact OD2-CB 3.42Å; D47-A51 VanDerWaalsContact O-CB 3.31Å; D47-A51 WeakPolarHBondContact O-CB 3.42Å; D47-A51 PolarHBondContact O-N 3.22Å
48	I	81.9	Confident	84.1	Confident	70 Å²	70	66.3 Å²	66.3	36%	0.359	34%	0.341	S	S	.	.	H	α-helix	trans	-75.2	-40.3	-177.1	-54.4	-176.2	0	0	0	111.3	G46 A51 L52 I74 L78	G46-I48 PolarHBondContact O-N 3.01Å; G46-I48 VanDerWaalsContact O-N 3.1Å; I48-A51 PolarHBondContact O-N 3.19Å; I48-L52 WeakPolarHBondContact O-CB 3.26Å; I48-L52 PolarHBondContact O-N 3.13Å; I48-I74 HydrophobicContact CG2-CG2 3.55Å; I48-L78 HydrophobicContact CB-CD2 4.21Å; I48-L78 HydrophobicContact CG2-CD1 4.05Å; I48-L78 HydrophobicContact CG2-CD2 3.83Å; I48-L78 HydrophobicContact CG2-CG 3.8Å
49	H	80.6	Confident	84	Confident	120 Å²	120	65.6 Å²	65.6	56%	0.556	34%	0.335	S	S	*	.	H	α-helix	trans	-67.9	-43	-177.8	-58.7	-77.8	0	0	0	112.8	D47 A51 L52 K53	D47-H49 PolarHBondContact OD1-N 3.31Å; H49-A51 VanDerWaalsContact C-N 3.34Å; H49-L52 WeakPolarHBondContact O-CB 3.35Å; H49-L52 PolarHBondContact O-N 3.26Å; H49-K53 PolarHBondContact O-N 2.92Å
50	Q	80.4	Confident	83.8	Confident	100 Å²	100	70.1 Å²	70.1	47%	0.467	37%	0.366	S	S	.	.	H	α-helix	trans	-71.5	-32.5	177.5	-170.6	164.8	-100.8	0	0	111.3	V42 D47 K53 L54	V42-Q50 HydrophobicContact CG1-CB 3.92Å; V42-Q50 HydrophobicContact CG1-CG 4.2Å; D47-Q50 VanDerWaalsContact OD1-CB 3.23Å; D47-Q50 WeakPolarHBondContact OD1-CB 3.44Å; D47-Q50 PolarHBondContact OD1-N 2.79Å; D47-Q50 WeakPolarHBondContact OD2-CB 3.42Å; Q50-K53 PolarHBondContact O-N 2.83Å; Q50-L54 WeakPolarHBondContact O-CG 3.25Å; Q50-L54 PolarHBondContact O-N 3.27Å; Q50-L54 VanDerWaalsContact O-N 3.07Å
51	A	84.7	Confident	83.6	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.008	36%	0.359	C	S	.	.	H	α-helix	trans	-62.8	-45.8	169.5	0	0	0	0	0	112	V42 A43 D47 I48 H49 K53 L54 F55	V42-A51 HydrophobicContact CB-CB 4.43Å; V42-A51 HydrophobicContact CG1-CB 4.18Å; A43-A51 HydrophobicContact CB-CB 3.8Å; D47-A51 VanDerWaalsContact O-CB 3.31Å; D47-A51 WeakPolarHBondContact O-CB 3.42Å; D47-A51 PolarHBondContact O-N 3.22Å; I48-A51 PolarHBondContact O-N 3.19Å; H49-A51 VanDerWaalsContact C-N 3.34Å; A51-K53 VanDerWaalsContact C-N 3.31Å; A51-K53 PolarHBondContact O-N 3.04Å; A51-L54 PolarHBondContact O-N 3.08Å; A51-F55 HydrophobicContact CB-CD2 4.47Å; A51-F55 HydrophobicContact CB-CE2 4.06Å; A51-F55 WeakPolarHBondContact O-CD2 3.31Å; A51-F55 WeakPolarHBondContact O-CG 3.03Å; A51-F55 PolarHBondContact O-N 3.36Å
52	L	86.3	Confident	83.2	Confident	20 Å²	20	69.8 Å²	69.8	11%	0.105	36%	0.36	C	S	.	.	H	α-helix	trans	-56.1	-45.9	174.7	-178.9	70.9	0	0	0	111.4	I48 H49 L54 F55 K56 I71 I74 E75 L78	I48-L52 WeakPolarHBondContact O-CB 3.26Å; I48-L52 PolarHBondContact O-N 3.13Å; H49-L52 WeakPolarHBondContact O-CB 3.35Å; H49-L52 PolarHBondContact O-N 3.26Å; L52-L54 PolarHBondContact O-N 2.92Å; L52-F55 PolarHBondContact O-N 3.4Å; L52-K56 HydrophobicContact CG-CD 4.21Å; L52-K56 WeakPolarHBondContact O-CG 3.38Å; L52-K56 PolarHBondContact O-N 2.89Å; L52-I71 HydrophobicContact CD1-CG2 3.99Å; L52-I74 HydrophobicContact CB-CG2 4.01Å; L52-I74 HydrophobicContact CD1-CB 4.18Å; L52-I74 HydrophobicContact CD1-CG2 3.87Å; L52-I74 HydrophobicContact CG-CG2 4.45Å; L52-E75 HydrophobicContact CD1-CG 3.7Å; L52-E75 HydrophobicContact CD2-CG 4.17Å; L52-L78 HydrophobicContact CD2-CD1 3.81Å
53	K	86.8	Confident	82.7	Confident	134 Å²	134	76.1 Å²	76.1	58%	0.583	39%	0.388	S	S	*	.	H	α-helix	trans	-58.7	-45.2	178	-173.3	176.9	-178.7	177.9	0	112.1	H49 Q50 A51 K56 Q57	H49-K53 PolarHBondContact O-N 2.92Å; Q50-K53 PolarHBondContact O-N 2.83Å; A51-K53 VanDerWaalsContact C-N 3.31Å; A51-K53 PolarHBondContact O-N 3.04Å; K53-K56 PolarHBondContact O-N 3.05Å; K53-Q57 WeakPolarHBondContact O-CG 3.28Å; K53-Q57 PolarHBondContact O-N 2.85Å
54	L	87.9	Confident	82.8	Confident	27 Å²	27	75.6 Å²	75.6	14%	0.141	38%	0.381	C	S	.	.	H	α-helix	trans	-66.3	-38.3	176.5	-70.1	167.1	0	0	0	112.2	L35 D38 V42 Q50 A51 L52 Q57 A58	L35-L54 HydrophobicContact CD2-CD2 3.78Å; D38-L54 HydrophobicContact CB-CD1 4.46Å; V42-L54 HydrophobicContact CB-CD1 4.42Å; V42-L54 HydrophobicContact CG2-CD1 3.95Å; Q50-L54 WeakPolarHBondContact O-CG 3.25Å; Q50-L54 PolarHBondContact O-N 3.27Å; Q50-L54 VanDerWaalsContact O-N 3.07Å; A51-L54 PolarHBondContact O-N 3.08Å; L52-L54 PolarHBondContact O-N 2.92Å; L54-Q57 PolarHBondContact O-N 3.37Å; L54-A58 PolarHBondContact O-N 3.11Å
55	F	87.8	Confident	82.5	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-68.4	-39.9	175.1	-67	-48.4	0	0	0	112.6	I36 G39 K40 A51 L52 Q57 A58 F59 L67 I71 I74	I36-F55 HydrophobicContact CD1-CD1 3.9Å; I36-F55 HydrophobicContact CD1-CE1 4.23Å; G39-F55 VanDerWaalsContact O-CZ 3.28Å; G39-F55 WeakPolarHBondContact O-CZ 3.2Å; K40-F55 HydrophobicContact CG-CE1 4.43Å; K40-F55 HydrophobicContact CG-CZ 4.2Å; A51-F55 HydrophobicContact CB-CD2 4.47Å; A51-F55 HydrophobicContact CB-CE2 4.06Å; A51-F55 WeakPolarHBondContact O-CD2 3.31Å; A51-F55 WeakPolarHBondContact O-CG 3.03Å; A51-F55 PolarHBondContact O-N 3.36Å; L52-F55 PolarHBondContact O-N 3.4Å; F55-Q57 VanDerWaalsContact C-N 3.35Å; F55-Q57 PolarHBondContact O-N 3.5Å; F55-A58 PolarHBondContact O-N 3.25Å; F55-F59 WeakPolarHBondContact O-CB 3.45Å; F55-F59 PolarHBondContact O-N 2.93Å; F55-L67 HydrophobicContact CB-CD1 3.93Å; F55-L67 HydrophobicContact CD1-CD1 3.78Å; F55-L67 HydrophobicContact CG-CD1 4.12Å; F55-I71 HydrophobicContact CB-CD1 4.21Å; F55-I71 HydrophobicContact CB-CG1 3.74Å; F55-I74 HydrophobicContact CD2-CD1 3.7Å; F55-I74 HydrophobicContact CE2-CD1 3.82Å
56	K	85.5	Confident	82.3	Confident	92 Å²	92	72.1 Å²	72.1	40%	0.4	37%	0.372	S	S	.	.	H	α-helix	trans	-62.6	-39.6	172.7	-73.9	-180	176	-179.6	0	112	L52 K53 F59 S60 I71 E75	L52-K56 HydrophobicContact CG-CD 4.21Å; L52-K56 WeakPolarHBondContact O-CG 3.38Å; L52-K56 PolarHBondContact O-N 2.89Å; K53-K56 PolarHBondContact O-N 3.05Å; K56-F59 PolarHBondContact O-N 2.87Å; K56-S60 PolarHBondContact O-N 3.17Å; K56-S60 VanDerWaalsContact O-N 3.08Å; K56-I71 HydrophobicContact CG-CD1 4.33Å; K56-I71 HydrophobicContact CG-CG2 4.19Å; K56-E75 WeakPolarHBondContact CE-OE1 3.11Å; K56-E75 IonicContact NZ-OE1 3.83Å; K56-E75 PolarHBondContact NZ-OE1 2.98Å
57	Q	83.7	Confident	82.7	Confident	87 Å²	87	69.5 Å²	69.5	41%	0.407	34%	0.344	S	S	.	.	H	α-helix	trans	-62.8	-45.7	172.2	-74.2	175.6	-26.9	0	0	111.9	L35 K53 L54 F55 F59 S60	L35-Q57 HydrophobicContact CD1-CB 4.16Å; K53-Q57 WeakPolarHBondContact O-CG 3.28Å; K53-Q57 PolarHBondContact O-N 2.85Å; L54-Q57 PolarHBondContact O-N 3.37Å; F55-Q57 VanDerWaalsContact C-N 3.35Å; F55-Q57 PolarHBondContact O-N 3.5Å; Q57-F59 VanDerWaalsContact C-N 3.32Å; Q57-F59 PolarHBondContact O-N 3.44Å; Q57-S60 PolarHBondContact O-N 3.48Å; Q57-S60 PolarHBondContact O-OG 3.41Å
58	A	84	Confident	82.7	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-60	-40.6	174.3	0	0	0	0	0	112.3	Y32 L35 I36 L54 F55 S60 I61 H62 L67	Y32-A58 HydrophobicContact CD2-CB 3.82Å; Y32-A58 VanDerWaalsContact CD2-O 3.25Å; Y32-A58 WeakPolarHBondContact CD2-O 3.23Å; Y32-A58 HydrophobicContact CE2-CB 3.88Å; Y32-A58 WeakPolarHBondContact CE2-O 3.44Å; L35-A58 HydrophobicContact CB-CB 3.9Å; L35-A58 HydrophobicContact CD1-CB 4.5Å; I36-A58 HydrophobicContact CD1-CB 3.61Å; I36-A58 HydrophobicContact CG1-CB 4.01Å; L54-A58 PolarHBondContact O-N 3.11Å; F55-A58 PolarHBondContact O-N 3.25Å; A58-S60 VanDerWaalsContact C-N 3.3Å; A58-S60 PolarHBondContact O-N 3.15Å; A58-I61 PolarHBondContact O-N 3.23Å; A58-H62 PolarHBondContact O-N 3.28Å; A58-L67 HydrophobicContact CB-CD2 3.99Å
59	F	85.6	Confident	82.6	Confident	49 Å²	49	72.4 Å²	72.4	22%	0.215	36%	0.363	C	S	.	.	H	α-helix	trans	-65.9	-30.7	179.1	-173.2	-103.2	0	0	0	113.1	F55 K56 Q57 I61 Q63 L67 E68 I71	F55-F59 WeakPolarHBondContact O-CB 3.45Å; F55-F59 PolarHBondContact O-N 2.93Å; K56-F59 PolarHBondContact O-N 2.87Å; Q57-F59 VanDerWaalsContact C-N 3.32Å; Q57-F59 PolarHBondContact O-N 3.44Å; F59-I61 PolarHBondContact O-N 2.98Å; F59-Q63 HydrophobicContact CD1-CG 4.4Å; F59-Q63 HydrophobicContact CD2-CB 4.46Å; F59-Q63 HydrophobicContact CD2-CG 4.39Å; F59-Q63 HydrophobicContact CE1-CG 4.08Å; F59-Q63 HydrophobicContact CE2-CB 3.96Å; F59-Q63 HydrophobicContact CE2-CG 4.05Å; F59-Q63 HydrophobicContact CZ-CB 4.17Å; F59-Q63 HydrophobicContact CZ-CG 3.89Å; F59-Q63 WeakPolarHBondContact O-CG 3.35Å; F59-L67 HydrophobicContact CB-CD2 3.76Å; F59-L67 HydrophobicContact CB-CG 4.26Å; F59-L67 HydrophobicContact CD2-CD2 4.15Å; F59-L67 HydrophobicContact CD2-CG 4.24Å; F59-L67 HydrophobicContact CG-CD2 4.48Å; F59-E68 HydrophobicContact CE2-CB 3.82Å; F59-E68 HydrophobicContact CE2-CG 4.2Å; F59-E68 HydrophobicContact CZ-CB 4.38Å; F59-E68 HydrophobicContact CZ-CG 4.25Å; F59-I71 HydrophobicContact CB-CD1 3.61Å; F59-I71 HydrophobicContact CD2-CD1 4.33Å; F59-I71 HydrophobicContact CG-CD1 3.98Å
60	S	81.1	Confident	82.6	Confident	96 Å²	96	71 Å²	71	67%	0.671	35%	0.353	S	S	*	.	H	α-helix	trans	-67.7	-16	172.4	73	0	0	0	0	114.4	K56 Q57 A58	K56-S60 PolarHBondContact O-N 3.17Å; K56-S60 VanDerWaalsContact O-N 3.08Å; Q57-S60 PolarHBondContact O-N 3.48Å; Q57-S60 PolarHBondContact O-OG 3.41Å; A58-S60 VanDerWaalsContact C-N 3.3Å; A58-S60 PolarHBondContact O-N 3.15Å
61	I	81.6	Confident	82.8	Confident	57 Å²	57	66.8 Å²	66.8	29%	0.292	33%	0.334	S	S	.	.	H	α-helix	trans	-98.4	-47.6	176.8	-57.6	174.2	0	0	0	111	Q28 T31 L35 A58 F59	Q28-I61 HydrophobicContact CB-CG2 3.82Å; Q28-I61 HydrophobicContact CG-CG2 4.26Å; Q28-I61 WeakPolarHBondContact O-CG2 3.4Å; T31-I61 HydrophobicContact CG2-CD1 3.74Å; L35-I61 HydrophobicContact CD1-CD1 3.8Å; A58-I61 PolarHBondContact O-N 3.23Å; F59-I61 PolarHBondContact O-N 2.98Å
62	H	78.6	Confident	82.8	Confident	85 Å²	85	72.7 Å²	72.7	39%	0.394	36%	0.359	S	S	.	.			trans	-138.7	99.4	179.7	-167.4	-75	0	0	0	111.9	Y32 A58 T64	Y32-H62 HydrophobicContact CD1-CB 4.35Å; Y32-H62 HydrophobicContact CD2-CB 3.68Å; Y32-H62 HydrophobicContact CE1-CB 4.45Å; Y32-H62 HydrophobicContact CE2-CB 3.79Å; Y32-H62 HydrophobicContact CG-CB 3.97Å; A58-H62 PolarHBondContact O-N 3.28Å; H62-T64 PolarHBondContact ND1-OG1 3.48Å; H62-T64 PolarHBondContact O-N 2.89Å; H62-T64 VanDerWaalsContact O-N 3.09Å; H62-T64 PolarHBondContact O-OG1 3.22Å
63	Q	78.9	Confident	82.7	Confident	149 Å²	149	77.3 Å²	77.3	70%	0.696	38%	0.378	S	S	*	.			trans	-67	108.2	178	-65.9	178.9	-2.7	0	0	110	F59	F59-Q63 HydrophobicContact CD1-CG 4.4Å; F59-Q63 HydrophobicContact CD2-CB 4.46Å; F59-Q63 HydrophobicContact CD2-CG 4.39Å; F59-Q63 HydrophobicContact CE1-CG 4.08Å; F59-Q63 HydrophobicContact CE2-CB 3.96Å; F59-Q63 HydrophobicContact CE2-CG 4.05Å; F59-Q63 HydrophobicContact CZ-CB 4.17Å; F59-Q63 HydrophobicContact CZ-CG 3.89Å; F59-Q63 WeakPolarHBondContact O-CG 3.35Å
64	T	83.6	Confident	82.5	Confident	33 Å²	33	71.9 Å²	71.9	20%	0.202	36%	0.356	C	S	.	.			trans	-127.4	129	-175.9	-39.1	0	0	0	0	108.3	Y32 H62 K66 L67 E68	Y32-T64 PolarHBondContact OH-OG1 3.46Å; H62-T64 PolarHBondContact ND1-OG1 3.48Å; H62-T64 PolarHBondContact O-N 2.89Å; H62-T64 VanDerWaalsContact O-N 3.09Å; H62-T64 PolarHBondContact O-OG1 3.22Å; T64-K66 PolarHBondContact O-N 2.88Å; T64-K66 VanDerWaalsContact O-N 3.16Å; T64-L67 WeakPolarHBondContact O-CA 3.46Å; T64-L67 WeakPolarHBondContact O-CB 3.48Å; T64-L67 PolarHBondContact O-N 3.15Å; T64-E68 PolarHBondContact O-N 3Å
65	P	75.5	Confident	82.3	Confident	90 Å²	90	74.3 Å²	74.3	58%	0.584	37%	0.366	S	S	*	.	H	α-helix	trans	-60.6	-33.1	-175.7	20.8	-32.5	0	0	0	112.5	L67 E68 S69	P65-L67 PolarHBondContact O-N 3.01Å; P65-E68 PolarHBondContact O-N 3.09Å; P65-S69 PolarHBondContact O-N 3.39Å; P65-S69 PolarHBondContact O-OG 2.85Å; P65-S69 VanDerWaalsContact O-OG 3.05Å
66	K	78.3	Confident	82.1	Confident	183 Å²	183	78.1 Å²	78.1	80%	0.796	38%	0.384	S	S	*	.	H	α-helix	trans	-66	-20.3	173.7	-65.2	-173.4	178.3	-177.5	0	114.5	T64 R70	T64-K66 PolarHBondContact O-N 2.88Å; T64-K66 VanDerWaalsContact O-N 3.16Å; K66-R70 WeakPolarHBondContact O-CB 3.46Å
67	L	82.6	Confident	81.7	Confident	5 Å²	5	77 Å²	77	3%	0.026	38%	0.382	C	S	.	.	H	α-helix	trans	-90.1	-40.1	173.8	179.8	59.2	0	0	0	110.5	Y32 I36 F55 A58 F59 T64 P65 R70 I71	Y32-L67 HydrophobicContact CE2-CD2 3.69Å; I36-L67 HydrophobicContact CD1-CD1 3.61Å; I36-L67 HydrophobicContact CD1-CD2 3.92Å; I36-L67 HydrophobicContact CD1-CG 4.38Å; F55-L67 HydrophobicContact CB-CD1 3.93Å; F55-L67 HydrophobicContact CD1-CD1 3.78Å; F55-L67 HydrophobicContact CG-CD1 4.12Å; A58-L67 HydrophobicContact CB-CD2 3.99Å; F59-L67 HydrophobicContact CB-CD2 3.76Å; F59-L67 HydrophobicContact CB-CG 4.26Å; F59-L67 HydrophobicContact CD2-CD2 4.15Å; F59-L67 HydrophobicContact CD2-CG 4.24Å; F59-L67 HydrophobicContact CG-CD2 4.48Å; T64-L67 WeakPolarHBondContact O-CA 3.46Å; T64-L67 WeakPolarHBondContact O-CB 3.48Å; T64-L67 PolarHBondContact O-N 3.15Å; P65-L67 PolarHBondContact O-N 3.01Å; L67-R70 CarbonylContact O-C 3.54Å; L67-R70 WeakPolarHBondContact O-CB 2.92Å; L67-R70 PolarHBondContact O-N 3.16Å; L67-R70 VanDerWaalsContact O-N 3.13Å; L67-I71 HydrophobicContact CD1-CD1 4.27Å; L67-I71 HydrophobicContact CD1-CG1 4.34Å; L67-I71 HydrophobicContact CG-CD1 3.98Å; L67-I71 HydrophobicContact CG-CG1 4.49Å; L67-I71 WeakPolarHBondContact O-CG1 3.3Å; L67-I71 PolarHBondContact O-N 2.91Å
68	E	80.8	Confident	81.3	Confident	110 Å²	110	73.6 Å²	73.6	51%	0.514	37%	0.367	S	S	.	.	H	α-helix	trans	-57.5	-53.3	174.3	-168.5	173.1	-166.1	0	0	112	F59 T64 P65 R70 I71 K72	F59-E68 HydrophobicContact CE2-CB 3.82Å; F59-E68 HydrophobicContact CE2-CG 4.2Å; F59-E68 HydrophobicContact CZ-CB 4.38Å; F59-E68 HydrophobicContact CZ-CG 4.25Å; T64-E68 PolarHBondContact O-N 3Å; P65-E68 PolarHBondContact O-N 3.09Å; E68-R70 PolarHBondContact O-N 2.9Å; E68-I71 PolarHBondContact O-N 3.36Å; E68-I71 VanDerWaalsContact O-N 3.15Å; E68-K72 PolarHBondContact O-N 2.81Å
69	S	80.6	Confident	80.8	Confident	82 Å²	82	75.9 Å²	75.9	57%	0.573	39%	0.386	S	S	*	.	H	α-helix	trans	-61.3	-26.6	175.3	-47.7	0	0	0	0	113.1	P65 K73	P65-S69 PolarHBondContact O-N 3.39Å; P65-S69 PolarHBondContact O-OG 2.85Å; P65-S69 VanDerWaalsContact O-OG 3.05Å; S69-K73 WeakPolarHBondContact O-CB 3.47Å; S69-K73 PolarHBondContact O-N 3.16Å
70	R	79.8	Confident	79.8	Confident	91 Å²	91	78.4 Å²	78.4	34%	0.343	40%	0.398	S	S	.	.	H	α-helix	trans	-80.1	-35.8	177.5	177.9	-177.4	174.1	84.4	9.9	112	K66 L67 E68 I74	K66-R70 WeakPolarHBondContact O-CB 3.46Å; L67-R70 CarbonylContact O-C 3.54Å; L67-R70 WeakPolarHBondContact O-CB 2.92Å; L67-R70 PolarHBondContact O-N 3.16Å; L67-R70 VanDerWaalsContact O-N 3.13Å; E68-R70 PolarHBondContact O-N 2.9Å; R70-I74 HydrophobicContact CG-CD1 4.15Å; R70-I74 WeakPolarHBondContact O-CD1 3.39Å; R70-I74 WeakPolarHBondContact O-CG1 3.29Å; R70-I74 PolarHBondContact O-N 2.69Å
71	I	85.1	Confident	78.8	Confident	12 Å²	12	77 Å²	77	6%	0.062	38%	0.383	C	S	.	.	H	α-helix	trans	-65.6	-53.4	170.6	-71.5	166.1	0	0	0	108.1	L52 F55 K56 F59 L67 E68 K73 I74 E75	L52-I71 HydrophobicContact CD1-CG2 3.99Å; F55-I71 HydrophobicContact CB-CD1 4.21Å; F55-I71 HydrophobicContact CB-CG1 3.74Å; K56-I71 HydrophobicContact CG-CD1 4.33Å; K56-I71 HydrophobicContact CG-CG2 4.19Å; F59-I71 HydrophobicContact CB-CD1 3.61Å; F59-I71 HydrophobicContact CD2-CD1 4.33Å; F59-I71 HydrophobicContact CG-CD1 3.98Å; L67-I71 HydrophobicContact CD1-CD1 4.27Å; L67-I71 HydrophobicContact CD1-CG1 4.34Å; L67-I71 HydrophobicContact CG-CD1 3.98Å; L67-I71 HydrophobicContact CG-CG1 4.49Å; L67-I71 WeakPolarHBondContact O-CG1 3.3Å; L67-I71 PolarHBondContact O-N 2.91Å; E68-I71 PolarHBondContact O-N 3.36Å; E68-I71 VanDerWaalsContact O-N 3.15Å; I71-K73 VanDerWaalsContact C-N 3.35Å; I71-K73 PolarHBondContact O-N 3.26Å; I71-I74 CarbonylContact O-C 3.59Å; I71-I74 WeakPolarHBondContact O-CA 3.5Å; I71-I74 PolarHBondContact O-N 3.29Å; I71-E75 HydrophobicContact CG2-CG 4.32Å; I71-E75 WeakPolarHBondContact CG2-OE2 3.34Å; I71-E75 WeakPolarHBondContact O-CG 3.43Å; I71-E75 PolarHBondContact O-N 3.47Å
72	K	85.9	Confident	77.7	Confident	124 Å²	124	78.6 Å²	78.6	54%	0.539	39%	0.392	S	S	.	.	H	α-helix	trans	-53.6	-49.3	178	-168.1	-169.2	174.3	-151.4	0	111.5	E68 I74 E75 E76	E68-K72 PolarHBondContact O-N 2.81Å; K72-I74 VanDerWaalsContact C-N 3.26Å; K72-I74 PolarHBondContact O-N 3.14Å; K72-E75 CarbonylContact O-C 3.52Å; K72-E75 PolarHBondContact O-N 3.05Å; K72-E75 VanDerWaalsContact O-N 3.08Å; K72-E76 WeakPolarHBondContact CE-OE1 3.35Å; K72-E76 IonicContact NZ-OE1 3.81Å; K72-E76 PolarHBondContact NZ-OE1 3.49Å; K72-E76 VanDerWaalsContact O-CB 3.25Å; K72-E76 WeakPolarHBondContact O-CB 3.24Å; K72-E76 PolarHBondContact O-N 3.37Å
73	K	84.1	Confident	76.4	Confident	117 Å²	117	80.2 Å²	80.2	51%	0.509	40%	0.403	S	S	.	.	H	α-helix	trans	-65.5	-25	178.9	-171.4	168.4	-177.8	70	0	113.9	S69 I71 L77	S69-K73 WeakPolarHBondContact O-CB 3.47Å; S69-K73 PolarHBondContact O-N 3.16Å; I71-K73 VanDerWaalsContact C-N 3.35Å; I71-K73 PolarHBondContact O-N 3.26Å; K73-L77 HydrophobicContact CG-CD1 4.34Å; K73-L77 WeakPolarHBondContact O-CB 3.36Å; K73-L77 WeakPolarHBondContact O-CD1 3.47Å; K73-L77 VanDerWaalsContact O-CG 3.26Å; K73-L77 WeakPolarHBondContact O-CG 3.2Å; K73-L77 PolarHBondContact O-N 3.42Å
74	I	82.7	Confident	75.1	Confident	21 Å²	21	80 Å²	80	11%	0.108	40%	0.402	C	S	.	.	H	α-helix	trans	-79	-33	172.5	-67.8	167.2	0	0	0	110.8	I48 L52 F55 R70 I71 K72 L78	I48-I74 HydrophobicContact CG2-CG2 3.55Å; L52-I74 HydrophobicContact CB-CG2 4.01Å; L52-I74 HydrophobicContact CD1-CB 4.18Å; L52-I74 HydrophobicContact CD1-CG2 3.87Å; L52-I74 HydrophobicContact CG-CG2 4.45Å; F55-I74 HydrophobicContact CD2-CD1 3.7Å; F55-I74 HydrophobicContact CE2-CD1 3.82Å; R70-I74 HydrophobicContact CG-CD1 4.15Å; R70-I74 WeakPolarHBondContact O-CD1 3.39Å; R70-I74 WeakPolarHBondContact O-CG1 3.29Å; R70-I74 PolarHBondContact O-N 2.69Å; I71-I74 CarbonylContact O-C 3.59Å; I71-I74 WeakPolarHBondContact O-CA 3.5Å; I71-I74 PolarHBondContact O-N 3.29Å; K72-I74 VanDerWaalsContact C-N 3.26Å; K72-I74 PolarHBondContact O-N 3.14Å; I74-L78 HydrophobicContact CG2-CD1 4.17Å; I74-L78 VanDerWaalsContact O-CB 3.29Å; I74-L78 WeakPolarHBondContact O-CB 3.47Å; I74-L78 VanDerWaalsContact O-CG 3.23Å; I74-L78 WeakPolarHBondContact O-CG 3.3Å; I74-L78 PolarHBondContact O-N 2.89Å
75	E	83.4	Confident	73.4	Confident	77 Å²	77	84.3 Å²	84.3	36%	0.36	42%	0.424	S	S	.	.	H	α-helix	trans	-71.4	-33.2	171.7	-64.6	174.7	134	0	0	112.2	L52 K56 I71 K72 A79	L52-E75 HydrophobicContact CD1-CG 3.7Å; L52-E75 HydrophobicContact CD2-CG 4.17Å; K56-E75 WeakPolarHBondContact CE-OE1 3.11Å; K56-E75 IonicContact NZ-OE1 3.83Å; K56-E75 PolarHBondContact NZ-OE1 2.98Å; I71-E75 HydrophobicContact CG2-CG 4.32Å; I71-E75 WeakPolarHBondContact CG2-OE2 3.34Å; I71-E75 WeakPolarHBondContact O-CG 3.43Å; I71-E75 PolarHBondContact O-N 3.47Å; K72-E75 CarbonylContact O-C 3.52Å; K72-E75 PolarHBondContact O-N 3.05Å; K72-E75 VanDerWaalsContact O-N 3.08Å; E75-A79 VanDerWaalsContact O-CB 3.3Å; E75-A79 WeakPolarHBondContact O-CB 3.44Å; E75-A79 PolarHBondContact O-N 3.11Å
76	E	82.3	Confident	72.1	Confident	80 Å²	80	86.3 Å²	86.3	37%	0.374	43%	0.425	S	S	.	.	H	α-helix	trans	-69.3	-48.2	175.4	-157.9	161.8	-114	0	0	109.9	K72 L78 A79 E80	K72-E76 WeakPolarHBondContact CE-OE1 3.35Å; K72-E76 IonicContact NZ-OE1 3.81Å; K72-E76 PolarHBondContact NZ-OE1 3.49Å; K72-E76 VanDerWaalsContact O-CB 3.25Å; K72-E76 WeakPolarHBondContact O-CB 3.24Å; K72-E76 PolarHBondContact O-N 3.37Å; E76-L78 PolarHBondContact O-N 3.25Å; E76-A79 PolarHBondContact O-N 2.66Å; E76-E80 WeakPolarHBondContact O-CG 3.44Å; E76-E80 PolarHBondContact O-N 3.02Å
77	L	76.8	Confident	70.7	Confident	69 Å²	69	83.4 Å²	83.4	36%	0.361	42%	0.419	S	S	.	.	H	α-helix	trans	-63	-36.9	171.5	-77.2	166.4	0	0	0	113.2	K73 E80 N81	K73-L77 HydrophobicContact CG-CD1 4.34Å; K73-L77 WeakPolarHBondContact O-CB 3.36Å; K73-L77 WeakPolarHBondContact O-CD1 3.47Å; K73-L77 VanDerWaalsContact O-CG 3.26Å; K73-L77 WeakPolarHBondContact O-CG 3.2Å; K73-L77 PolarHBondContact O-N 3.42Å; L77-E80 PolarHBondContact O-N 3.22Å; L77-N81 WeakPolarHBondContact O-CB 3.18Å; L77-N81 PolarHBondContact O-N 3.47Å; L77-N81 PolarHBondContact O-OD1 3.26Å; L77-N81 VanDerWaalsContact O-OD1 3.13Å
78	L	76.1	Confident	69.2	Low	15 Å²	15	88.7 Å²	88.7	8%	0.079	45%	0.447	C	S	.	.	H	α-helix	trans	-68.6	-37.3	173.9	-79.6	169.6	0	0	0	111.6	I48 L52 I74 E76 N81 D82	I48-L78 HydrophobicContact CB-CD2 4.21Å; I48-L78 HydrophobicContact CG2-CD1 4.05Å; I48-L78 HydrophobicContact CG2-CD2 3.83Å; I48-L78 HydrophobicContact CG2-CG 3.8Å; L52-L78 HydrophobicContact CD2-CD1 3.81Å; I74-L78 HydrophobicContact CG2-CD1 4.17Å; I74-L78 VanDerWaalsContact O-CB 3.29Å; I74-L78 WeakPolarHBondContact O-CB 3.47Å; I74-L78 VanDerWaalsContact O-CG 3.23Å; I74-L78 WeakPolarHBondContact O-CG 3.3Å; I74-L78 PolarHBondContact O-N 2.89Å; E76-L78 PolarHBondContact O-N 3.25Å; L78-N81 PolarHBondContact O-N 3.04Å; L78-D82 WeakPolarHBondContact O-CB 3.26Å; L78-D82 PolarHBondContact O-N 3.28Å
79	A	73.1	Confident	68.5	Low	49 Å²	49	88.3 Å²	88.3	41%	0.405	45%	0.445	S	S	.	.	H	α-helix	trans	-70.7	-31.7	174.4	0	0	0	0	0	112.8	E75 E76 L83	E75-A79 VanDerWaalsContact O-CB 3.3Å; E75-A79 WeakPolarHBondContact O-CB 3.44Å; E75-A79 PolarHBondContact O-N 3.11Å; E76-A79 PolarHBondContact O-N 2.66Å; A79-L83 WeakPolarHBondContact O-CB 3.17Å; A79-L83 VanDerWaalsContact O-CD1 3.32Å; A79-L83 WeakPolarHBondContact O-CD1 3.35Å; A79-L83 WeakPolarHBondContact O-CG 3.38Å; A79-L83 PolarHBondContact O-N 3.08Å
80	E	65.1	Low	67.9	Low	101 Å²	101	88.8 Å²	88.8	47%	0.472	44%	0.437	S	S	.	.	H	α-helix	trans	-64.7	-49.3	170.2	-72.8	168.8	157.6	0	0	110	E76 L77 L83 E84	E76-E80 WeakPolarHBondContact O-CG 3.44Å; E76-E80 PolarHBondContact O-N 3.02Å; L77-E80 PolarHBondContact O-N 3.22Å; E80-L83 PolarHBondContact O-N 3.37Å; E80-E84 PolarHBondContact O-N 3.45Å
81	N	60.3	Low	67.6	Low	67 Å²	67	86.1 Å²	86.1	36%	0.358	43%	0.431	S	S	.	.	H	α-helix	trans	-62.1	-47.7	174.6	-88.3	85.9	0	0	0	113.8	L77 L78 L83 E84 D85	L77-N81 WeakPolarHBondContact O-CB 3.18Å; L77-N81 PolarHBondContact O-N 3.47Å; L77-N81 PolarHBondContact O-OD1 3.26Å; L77-N81 VanDerWaalsContact O-OD1 3.13Å; L78-N81 PolarHBondContact O-N 3.04Å; N81-L83 PolarHBondContact O-N 3.29Å; N81-L83 VanDerWaalsContact O-N 3.16Å; N81-E84 PolarHBondContact O-N 2.99Å; N81-E84 VanDerWaalsContact O-N 3.1Å; N81-D85 WeakPolarHBondContact O-CB 3.46Å; N81-D85 PolarHBondContact O-N 2.96Å
82	D	57.8	Low	67	Low	90 Å²	90	88 Å²	88	48%	0.481	44%	0.441	S	S	.	.	H	α-helix	trans	-62	-21.7	179	-71	-27.5	0	0	0	111.6	L78	L78-D82 WeakPolarHBondContact O-CB 3.26Å; L78-D82 PolarHBondContact O-N 3.28Å
83	L	52.5	Low	66.3	Low	120 Å²	120	82.1 Å²	82.1	63%	0.628	42%	0.416	S	S	*	.	H	α-helix	trans	-86	-39.5	172.2	-74	169.2	0	0	0	112.6	A79 E80 N81 E86	A79-L83 WeakPolarHBondContact O-CB 3.17Å; A79-L83 VanDerWaalsContact O-CD1 3.32Å; A79-L83 WeakPolarHBondContact O-CD1 3.35Å; A79-L83 WeakPolarHBondContact O-CG 3.38Å; A79-L83 PolarHBondContact O-N 3.08Å; E80-L83 PolarHBondContact O-N 3.37Å; N81-L83 PolarHBondContact O-N 3.29Å; N81-L83 VanDerWaalsContact O-N 3.16Å; L83-E86 PolarHBondContact O-N 3.14Å
84	E	51.4	Low	65.5	Low	145 Å²	145	80.1 Å²	80.1	68%	0.678	41%	0.411	S	S	*	.	H	α-helix	trans	-66.4	-35.5	175	-71.5	-179	172.3	0	0	111.9	E80 N81	E80-E84 PolarHBondContact O-N 3.45Å; N81-E84 PolarHBondContact O-N 2.99Å; N81-E84 VanDerWaalsContact O-N 3.1Å
85	D	48	Very low	64.8	Low	123 Å²	123	86.1 Å²	86.1	66%	0.658	44%	0.443	S	S	*	.	H	α-helix	trans	-77.7	-19.4	178.1	-77.4	-39.5	0	0	0	114	N81	N81-D85 WeakPolarHBondContact O-CB 3.46Å; N81-D85 PolarHBondContact O-N 2.96Å
86	E	48.3	Very low	63.9	Low	131 Å²	131	83.2 Å²	83.2	61%	0.612	43%	0.431	S	S	*	.	H	α-helix	trans	-82.1	-25	179.9	-94.6	-160.3	-171.2	0	0	114.3	L83 K102	L83-E86 PolarHBondContact O-N 3.14Å; E86-K102 PolarHBondContact O-NZ 3.32Å
87	D	47.7	Very low	63.1	Low	122 Å²	122	81 Å²	81	65%	0.652	43%	0.43	S	S	*	.	H	α-helix	trans	-79.8	-34.6	-172.1	-93.9	-11.5	0	0	0	113.7	F101	D87-F101 WeakPolarHBondContact O-CE2 3.39Å; D87-F101 WeakPolarHBondContact O-CZ 3.32Å
88	D	52.4	Low	63.2	Low	117 Å²	117	77.7 Å²	77.7	63%	0.626	41%	0.413	S	S	*	.	S	Bend	trans	-94.8	12.5	-173.2	-104.8	-19.2	0	0	0	115	F90	D88-F90 VanDerWaalsContact O-CD2 3.23Å; D88-F90 WeakPolarHBondContact O-CD2 3.44Å; D88-F90 PolarHBondContact O-N 3.17Å
89	E	64.4	Low	63.4	Low	102 Å²	102	80 Å²	80	48%	0.477	42%	0.423	S	S	.	.			trans	-64.8	123.9	179.4	-176.7	-177.2	-170.1	0	0	112.1	K102	E89-K102 HydrophobicContact CB-CD 3.74Å; E89-K102 HydrophobicContact CG-CD 4.25Å; E89-K102 WeakPolarHBondContact O-CB 3.16Å; E89-K102 PolarHBondContact O-N 3.49Å; E89-K102 VanDerWaalsContact OE2-CD 3.29Å; E89-K102 WeakPolarHBondContact OE2-CD 3.42Å; E89-K102 VanDerWaalsContact OE2-CE 3.3Å; E89-K102 WeakPolarHBondContact OE2-CE 3.23Å; E89-K102 IonicContact OE2-NZ 2.71Å; E89-K102 PolarHBondContact OE2-NZ 2.87Å
90	F	68.6	Low	63.8	Low	91 Å²	91	77.6 Å²	77.6	40%	0.399	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	125.7	172.9	-78.1	-100.7	0	0	0	111.3	D88 M99 L100 F101 D153	D88-F90 VanDerWaalsContact O-CD2 3.23Å; D88-F90 WeakPolarHBondContact O-CD2 3.44Å; D88-F90 PolarHBondContact O-N 3.17Å; F90-M99 HydrophobicContact CB-CB 4.27Å; F90-M99 HydrophobicContact CB-CE 3.97Å; F90-M99 HydrophobicContact CD1-CB 4.35Å; F90-M99 WeakPolarHBondContact O-CE 3.47Å; F90-L100 CarbonylContact C-O 3.57Å; F90-L100 WeakPolarHBondContact CA-O 3.36Å; F90-F101 HydrophobicContact CE1-CB 4.39Å; F90-D153 HydrophobicContact CE1-CB 4.45Å
91	V	73.4	Confident	64.5	Low	35 Å²	35	75.7 Å²	75.7	21%	0.212	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	133.7	-176.9	-177.2	0	0	0	0	111.3	V93 L100 K102 H105	V91-V93 PolarHBondContact O-N 3Å; V91-L100 PolarHBondContact N-O 2.87Å; V91-L100 PolarHBondContact O-N 2.67Å; V91-K102 HydrophobicContact CG2-CB 4.06Å; V91-K102 HydrophobicContact CG2-CG 4.45Å; V91-H105 HydrophobicContact CB-CB 4.27Å
92	N	72.6	Confident	65.4	Low	53 Å²	53	75 Å²	75	28%	0.283	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	114.5	178.2	-171	-29.2	0	0	0	111.5	N94 N95 S96 G97 L98 M99	N92-N94 PolarHBondContact O-N 3.31Å; N92-N95 PolarHBondContact O-N 3.05Å; N92-N95 WeakPolarHBondContact OD1-CA 3.3Å; N92-S96 PolarHBondContact OD1-N 3.39Å; N92-S96 VanDerWaalsContact OD1-N 3.09Å; N92-G97 PolarHBondContact OD1-N 3.4Å; N92-L98 WeakPolarHBondContact CA-O 3.37Å; N92-M99 HydrophobicContact CB-SD 3.72Å
93	V	71.3	Confident	66.4	Low	0 Å²	0	75 Å²	75	0%	0	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-63.7	107.5	-175.4	-173.3	0	0	0	0	110.8	V91 N95 S96 L98 L100 R113 V116	V91-V93 PolarHBondContact O-N 3Å; V93-N95 PolarHBondContact O-N 3.08Å; V93-N95 VanDerWaalsContact O-N 3.17Å; V93-S96 VanDerWaalsContact O-CB 3.24Å; V93-S96 WeakPolarHBondContact O-CB 3.23Å; V93-S96 PolarHBondContact O-N 3.25Å; V93-S96 PolarHBondContact O-OG 2.87Å; V93-L98 PolarHBondContact N-O 3.26Å; V93-L100 HydrophobicContact CG2-CB 4.12Å; V93-L100 HydrophobicContact CG2-CD1 3.43Å; V93-L100 VanDerWaalsContact CG2-CD1 3.43Å; V93-L100 HydrophobicContact CG2-CG 3.52Å; V93-R113 HydrophobicContact CG1-CB 4.16Å; V93-R113 WeakPolarHBondContact CG1-O 3.29Å; V93-V116 HydrophobicContact CG1-CB 4.36Å; V93-V116 HydrophobicContact CG1-CG1 4.3Å; V93-V116 HydrophobicContact CG2-CG1 4.44Å
94	N	67.3	Low	67.8	Low	75 Å²	75	69.7 Å²	69.7	40%	0.401	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	50.5	35.1	179.4	-61.9	-10.8	0	0	0	113.9	N92 S96 V114	N92-N94 PolarHBondContact O-N 3.31Å; N94-S96 PolarHBondContact O-N 3.34Å; N94-S96 VanDerWaalsContact O-N 3.13Å; N94-V114 WeakPolarHBondContact ND2-CA 3.23Å; N94-V114 WeakPolarHBondContact ND2-CG2 3.48Å; N94-V114 PolarHBondContact ND2-N 2.87Å
95	N	68.4	Low	69.3	Low	147 Å²	147	63.6 Å²	63.6	79%	0.786	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	55.5	24.2	-174.7	-58.7	-13.3	0	0	0	114.3	N92 V93 G97	N92-N95 PolarHBondContact O-N 3.05Å; N92-N95 WeakPolarHBondContact OD1-CA 3.3Å; V93-N95 PolarHBondContact O-N 3.08Å; V93-N95 VanDerWaalsContact O-N 3.17Å; N95-G97 VanDerWaalsContact C-N 3.31Å; N95-G97 PolarHBondContact O-N 2.94Å
96	S	64.4	Low	71	Confident	15 Å²	15	59.9 Å²	59.9	11%	0.105	31%	0.309	C	S	.	.	S	Bend	trans	-76.1	-18.7	-177.2	63.4	0	0	0	0	114.1	N92 V93 N94 S117 Y120	N92-S96 PolarHBondContact OD1-N 3.39Å; N92-S96 VanDerWaalsContact OD1-N 3.09Å; V93-S96 VanDerWaalsContact O-CB 3.24Å; V93-S96 WeakPolarHBondContact O-CB 3.23Å; V93-S96 PolarHBondContact O-N 3.25Å; V93-S96 PolarHBondContact O-OG 2.87Å; N94-S96 PolarHBondContact O-N 3.34Å; N94-S96 VanDerWaalsContact O-N 3.13Å; S96-S117 WeakPolarHBondContact CB-OG 3.33Å; S96-Y120 WeakPolarHBondContact O-CE1 3.42Å
97	G	65.4	Low	72.7	Confident	34 Å²	34	59.3 Å²	59.3	35%	0.351	30%	0.301	S	S	.	.	S	Bend	trans	95.9	11.9	-173.8	0	0	0	0	0	114.1	N92 N95 Y120	N92-G97 PolarHBondContact OD1-N 3.4Å; N95-G97 VanDerWaalsContact C-N 3.31Å; N95-G97 PolarHBondContact O-N 2.94Å; G97-Y120 WeakPolarHBondContact O-CE1 3.48Å; G97-Y120 PolarHBondContact O-OH 3.14Å
98	L	78.9	Confident	74.6	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.27	C	S	.	.			trans	-102.8	119.9	168.9	-174.4	72.7	0	0	0	108.9	N92 V93 L100 V116 Y120 M151	N92-L98 WeakPolarHBondContact CA-O 3.37Å; V93-L98 PolarHBondContact N-O 3.26Å; L98-L100 HydrophobicContact CD2-CD2 4.48Å; L98-V116 HydrophobicContact CD2-CG1 3.58Å; L98-Y120 HydrophobicContact CB-CD1 3.75Å; L98-Y120 HydrophobicContact CB-CD2 4.15Å; L98-Y120 HydrophobicContact CB-CE1 4Å; L98-Y120 HydrophobicContact CB-CE2 4.39Å; L98-Y120 HydrophobicContact CB-CG 3.81Å; L98-Y120 HydrophobicContact CD1-CD2 3.85Å; L98-Y120 HydrophobicContact CD1-CE2 3.94Å; L98-Y120 HydrophobicContact CD1-CG 4.35Å; L98-Y120 HydrophobicContact CG-CD2 4.44Å; L98-Y120 HydrophobicContact CG-CG 4.45Å; L98-M151 HydrophobicContact CD1-CG 4.42Å; L98-M151 HydrophobicContact CD1-SD 4.11Å
99	M	79.4	Confident	76.2	Confident	62 Å²	62	50 Å²	50	31%	0.305	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	137.8	173.1	-55.8	-56.1	-78.9	0	0	110.1	F90 N92 G150	F90-M99 HydrophobicContact CB-CB 4.27Å; F90-M99 HydrophobicContact CB-CE 3.97Å; F90-M99 HydrophobicContact CD1-CB 4.35Å; F90-M99 WeakPolarHBondContact O-CE 3.47Å; N92-M99 HydrophobicContact CB-SD 3.72Å; M99-G150 WeakPolarHBondContact O-CA 3.09Å
100	L	82.4	Confident	77.2	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	146.3	169.1	-69.9	-174.8	0	0	0	110.5	F90 V91 V93 L98 K102 L108 V116 S146	F90-L100 CarbonylContact C-O 3.57Å; F90-L100 WeakPolarHBondContact CA-O 3.36Å; V91-L100 PolarHBondContact N-O 2.87Å; V91-L100 PolarHBondContact O-N 2.67Å; V93-L100 HydrophobicContact CG2-CB 4.12Å; V93-L100 HydrophobicContact CG2-CD1 3.43Å; V93-L100 VanDerWaalsContact CG2-CD1 3.43Å; V93-L100 HydrophobicContact CG2-CG 3.52Å; L98-L100 HydrophobicContact CD2-CD2 4.48Å; L100-K102 PolarHBondContact O-N 3Å; L100-L108 HydrophobicContact CD1-CD1 4.16Å; L100-V116 HydrophobicContact CD1-CG1 4.44Å; L100-S146 WeakPolarHBondContact CD2-O 3.47Å
101	F	80.3	Confident	78.1	Confident	61 Å²	61	45.9 Å²	45.9	27%	0.268	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.9	131.3	170.1	-171.7	-113.8	0	0	0	112	D87 F90 E103 L104 H105	D87-F101 WeakPolarHBondContact O-CE2 3.39Å; D87-F101 WeakPolarHBondContact O-CZ 3.32Å; F90-F101 HydrophobicContact CE1-CB 4.39Å; F101-E103 HydrophobicContact CD1-CB 3.82Å; F101-E103 HydrophobicContact CD1-CG 4.31Å; F101-E103 HydrophobicContact CE1-CB 3.67Å; F101-E103 HydrophobicContact CE1-CG 3.65Å; F101-E103 HydrophobicContact CZ-CG 4.4Å; F101-E103 PolarHBondContact O-N 3.24Å; F101-L104 WeakPolarHBondContact O-CB 3.43Å; F101-L104 PolarHBondContact O-N 2.87Å; F101-H105 PolarHBondContact O-N 2.95Å
102	K	77.9	Confident	78.9	Confident	51 Å²	51	44.5 Å²	44.5	22%	0.222	22%	0.223	C	C	.	.	H	α-helix	trans	-51.3	-46.2	-173.4	170	171.8	168.9	-174.1	0	114.2	E86 E89 V91 L100 L104 H105 D106	E86-K102 PolarHBondContact O-NZ 3.32Å; E89-K102 HydrophobicContact CB-CD 3.74Å; E89-K102 HydrophobicContact CG-CD 4.25Å; E89-K102 WeakPolarHBondContact O-CB 3.16Å; E89-K102 PolarHBondContact O-N 3.49Å; E89-K102 VanDerWaalsContact OE2-CD 3.29Å; E89-K102 WeakPolarHBondContact OE2-CD 3.42Å; E89-K102 VanDerWaalsContact OE2-CE 3.3Å; E89-K102 WeakPolarHBondContact OE2-CE 3.23Å; E89-K102 IonicContact OE2-NZ 2.71Å; E89-K102 PolarHBondContact OE2-NZ 2.87Å; V91-K102 HydrophobicContact CG2-CB 4.06Å; V91-K102 HydrophobicContact CG2-CG 4.45Å; L100-K102 PolarHBondContact O-N 3Å; K102-L104 VanDerWaalsContact C-N 3.3Å; K102-L104 PolarHBondContact O-N 3.08Å; K102-H105 PolarHBondContact O-N 3.42Å; K102-D106 WeakPolarHBondContact O-CB 3.22Å; K102-D106 PolarHBondContact O-N 3.44Å
103	E	78.9	Confident	79.7	Confident	92 Å²	92	42.6 Å²	42.6	43%	0.43	21%	0.212	S	C	.	.	H	α-helix	trans	-57.2	-42.7	175.5	-72	-145.8	120.5	0	0	112.8	F101 D106 R107	F101-E103 HydrophobicContact CD1-CB 3.82Å; F101-E103 HydrophobicContact CD1-CG 4.31Å; F101-E103 HydrophobicContact CE1-CB 3.67Å; F101-E103 HydrophobicContact CE1-CG 3.65Å; F101-E103 HydrophobicContact CZ-CG 4.4Å; F101-E103 PolarHBondContact O-N 3.24Å; E103-D106 PolarHBondContact O-N 2.94Å; E103-R107 VanDerWaalsContact CD-CZ 3.47Å; E103-R107 WeakPolarHBondContact O-CB 3.07Å; E103-R107 WeakPolarHBondContact O-CD 3.16Å; E103-R107 WeakPolarHBondContact O-CG 3.47Å; E103-R107 PolarHBondContact O-N 2.77Å; E103-R107 IonicContact OE1-CZ 3.69Å; E103-R107 IonicContact OE1-NH1 2.9Å; E103-R107 IonicContact OE1-NH2 3.49Å; E103-R107 PolarHBondContact OE1-NH2 2.88Å; E103-R107 IonicContact OE2-CZ 2.77Å; E103-R107 IonicContact OE2-NH1 2.61Å; E103-R107 PolarHBondContact OE2-NH1 3.34Å; E103-R107 IonicContact OE2-NH2 2.66Å; E103-R107 PolarHBondContact OE2-NH2 2.85Å
104	L	81.7	Confident	80.5	Confident	8 Å²	8	46.1 Å²	46.1	4%	0.042	23%	0.234	C	C	.	.	H	α-helix	trans	-72.6	-39	-177.9	-174.8	61.5	0	0	0	110.4	F101 K102 D106 L108 W179 T180	F101-L104 WeakPolarHBondContact O-CB 3.43Å; F101-L104 PolarHBondContact O-N 2.87Å; K102-L104 VanDerWaalsContact C-N 3.3Å; K102-L104 PolarHBondContact O-N 3.08Å; L104-D106 VanDerWaalsContact C-N 3.35Å; L104-L108 WeakPolarHBondContact O-CD1 3.29Å; L104-L108 VanDerWaalsContact O-CG 3.3Å; L104-L108 WeakPolarHBondContact O-CG 3.36Å; L104-L108 PolarHBondContact O-N 3.47Å; L104-W179 HydrophobicContact CD1-CB 4.4Å; L104-W179 HydrophobicContact CD1-CE3 3.98Å; L104-T180 HydrophobicContact CD2-CG2 4.26Å
105	H	83.3	Confident	81.6	Confident	17 Å²	17	42.6 Å²	42.6	8%	0.079	22%	0.215	C	C	.	.	H	α-helix	trans	-59.8	-42.6	173.2	177.6	-96.4	0	0	0	112.3	V91 F101 K102 L108 R113	V91-H105 HydrophobicContact CB-CB 4.27Å; F101-H105 PolarHBondContact O-N 2.95Å; K102-H105 PolarHBondContact O-N 3.42Å; H105-L108 PolarHBondContact O-N 3.22Å; H105-R113 PolarHBondContact CE1-NH2 3.16Å; H105-R113 PolarHBondContact ND1-NH2 3.46Å; H105-R113 VanDerWaalsContact ND1-NH2 3.14Å; H105-R113 PolarHBondContact NE2-NE 3.25Å; H105-R113 PolarHBondContact O-NE 2.92Å; H105-R113 PolarHBondContact O-NH2 3.01Å
106	D	83.4	Confident	82.6	Confident	44 Å²	44	35.6 Å²	35.6	24%	0.235	18%	0.177	C	C	.	.	H	α-helix	trans	-84.5	-22.7	-174.2	-80.4	13.1	0	0	0	114	K102 E103 L104 L108 R113 S369 G370 A371	K102-D106 WeakPolarHBondContact O-CB 3.22Å; K102-D106 PolarHBondContact O-N 3.44Å; E103-D106 PolarHBondContact O-N 2.94Å; L104-D106 VanDerWaalsContact C-N 3.35Å; D106-L108 VanDerWaalsContact C-N 3.29Å; D106-L108 PolarHBondContact O-N 3.07Å; D106-R113 IonicContact OD1-NH2 3.18Å; D106-R113 PolarHBondContact OD1-NH2 3.42Å; D106-S369 VanDerWaalsContact OD2-CB 3.23Å; D106-S369 WeakPolarHBondContact OD2-CB 3.37Å; D106-S369 PolarHBondContact OD2-OG 3Å; D106-G370 CarbonylContact O-C 3.55Å; D106-A371 PolarHBondContact O-N 3.4Å
107	R	84.7	Confident	83.8	Confident	119 Å²	119	36.2 Å²	36.2	45%	0.449	18%	0.182	S	C	.	.	H	α-helix	trans	-75.6	-13	168.4	-68	166.2	-178.3	165	1	113.6	E103 W179 A371	E103-R107 VanDerWaalsContact CD-CZ 3.47Å; E103-R107 WeakPolarHBondContact O-CB 3.07Å; E103-R107 WeakPolarHBondContact O-CD 3.16Å; E103-R107 WeakPolarHBondContact O-CG 3.47Å; E103-R107 PolarHBondContact O-N 2.77Å; E103-R107 IonicContact OE1-CZ 3.69Å; E103-R107 IonicContact OE1-NH1 2.9Å; E103-R107 IonicContact OE1-NH2 3.49Å; E103-R107 PolarHBondContact OE1-NH2 2.88Å; E103-R107 IonicContact OE2-CZ 2.77Å; E103-R107 IonicContact OE2-NH1 2.61Å; E103-R107 PolarHBondContact OE2-NH1 3.34Å; E103-R107 IonicContact OE2-NH2 2.66Å; E103-R107 PolarHBondContact OE2-NH2 2.85Å; R107-W179 HydrophobicContact CB-CH2 4.43Å; R107-W179 HydrophobicContact CB-CZ3 3.82Å; R107-W179 HydrophobicContact CG-CZ3 4.44Å; R107-A371 WeakPolarHBondContact O-CB 3.28Å
108	L	86.6	Confident	85.1	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-81	142.7	174.8	-73.6	164.3	0	0	0	112.4	L100 L104 H105 D106 Q112 R113 I142	L100-L108 HydrophobicContact CD1-CD1 4.16Å; L104-L108 WeakPolarHBondContact O-CD1 3.29Å; L104-L108 VanDerWaalsContact O-CG 3.3Å; L104-L108 WeakPolarHBondContact O-CG 3.36Å; L104-L108 PolarHBondContact O-N 3.47Å; H105-L108 PolarHBondContact O-N 3.22Å; D106-L108 VanDerWaalsContact C-N 3.29Å; D106-L108 PolarHBondContact O-N 3.07Å; L108-Q112 HydrophobicContact CB-CB 4.43Å; L108-Q112 HydrophobicContact CD2-CB 3.8Å; L108-R113 HydrophobicContact CB-CG 3.93Å; L108-I142 HydrophobicContact CD2-CD1 3.86Å; L108-I142 HydrophobicContact CD2-CG1 3.95Å
109	Y	86.6	Confident	85.7	Confident	44 Å²	44	36.6 Å²	36.6	17%	0.173	17%	0.174	C	C	.	.			trans	-74.9	152.7	169.3	-56.1	-43	0	0	0	111.7	Y111 Q112 R113 A371 M373 P374 I584	Y109-Y111 VanDerWaalsContact C-N 3.26Å; Y109-Y111 AromaticContact CD2-CE1 3.62Å; Y109-Y111 HydrophobicContact CD2-CE1 3.62Å; Y109-Y111 AromaticContact CD2-CZ 3.81Å; Y109-Y111 WeakPolarHBondContact CD2-OH 3.36Å; Y109-Y111 AromaticContact CG-CE1 3.92Å; Y109-Y111 HydrophobicContact CG-CE1 3.92Å; Y109-Y111 PolarHBondContact O-N 3.21Å; Y109-Y111 VanDerWaalsContact O-N 3.12Å; Y109-Q112 HydrophobicContact CD2-CG 4.39Å; Y109-Q112 WeakPolarHBondContact O-CA 3.26Å; Y109-Q112 VanDerWaalsContact O-CB 3.32Å; Y109-Q112 WeakPolarHBondContact O-CB 3.27Å; Y109-Q112 PolarHBondContact O-N 3.46Å; Y109-R113 PolarHBondContact O-N 2.75Å; Y109-A371 HydrophobicContact CD1-CB 3.59Å; Y109-A371 VanDerWaalsContact CD1-O 3.28Å; Y109-A371 WeakPolarHBondContact CD1-O 3.33Å; Y109-A371 HydrophobicContact CE1-CB 3.7Å; Y109-M373 HydrophobicContact CD1-CB 3.85Å; Y109-M373 HydrophobicContact CD2-CB 4.19Å; Y109-M373 HydrophobicContact CD2-CG 4.1Å; Y109-M373 VanDerWaalsContact CE1-CA 3.45Å; Y109-M373 HydrophobicContact CE1-CB 4.04Å; Y109-M373 HydrophobicContact CE2-CB 4.36Å; Y109-M373 HydrophobicContact CE2-CG 4.04Å; Y109-M373 HydrophobicContact CG-CB 3.93Å; Y109-M373 HydrophobicContact CG-CG 4.36Å; Y109-P374 WeakPolarHBondContact OH-CD 2.95Å; Y109-I584 HydrophobicContact CE2-CD1 4.05Å
110	D	85.4	Confident	86.1	Confident	82 Å²	82	35.1 Å²	35.1	44%	0.439	17%	0.165	S	C	.	.	H	α-helix	trans	-52	-41.5	-178.1	-49.1	-56.3	0	0	0	113.7	Q112 R113 V114	D110-Q112 VanDerWaalsContact C-N 3.34Å; D110-R113 WeakPolarHBondContact O-CB 3.21Å; D110-R113 PolarHBondContact O-N 3.43Å; D110-R113 IonicContact OD1-NH1 2.69Å; D110-V114 WeakPolarHBondContact O-CG2 3.46Å; D110-V114 PolarHBondContact O-N 3.13Å
111	Y	87.6	Confident	86.4	Confident	24 Å²	24	35.7 Å²	35.7	9%	0.094	17%	0.171	C	C	.	.	H	α-helix	trans	-68.2	-34.6	176.3	74.1	-91.7	0	0	0	111.7	Y109 V114 G115 L138 R340 V345 M373	Y109-Y111 VanDerWaalsContact C-N 3.26Å; Y109-Y111 AromaticContact CD2-CE1 3.62Å; Y109-Y111 HydrophobicContact CD2-CE1 3.62Å; Y109-Y111 AromaticContact CD2-CZ 3.81Å; Y109-Y111 WeakPolarHBondContact CD2-OH 3.36Å; Y109-Y111 AromaticContact CG-CE1 3.92Å; Y109-Y111 HydrophobicContact CG-CE1 3.92Å; Y109-Y111 PolarHBondContact O-N 3.21Å; Y109-Y111 VanDerWaalsContact O-N 3.12Å; Y111-V114 PolarHBondContact O-N 3.3Å; Y111-G115 PolarHBondContact O-N 3.22Å; Y111-L138 HydrophobicContact CE2-CB 3.98Å; Y111-L138 HydrophobicContact CE2-CD2 4.36Å; Y111-L138 WeakPolarHBondContact CE2-O 3.3Å; Y111-L138 PolarHBondContact OH-O 2.95Å; Y111-R340 PolarHBondContact O-NH1 2.72Å; Y111-V345 HydrophobicContact CD1-CG1 3.47Å; Y111-V345 VanDerWaalsContact CD1-CG1 3.47Å; Y111-V345 HydrophobicContact CE1-CG1 3.75Å; Y111-V345 HydrophobicContact CG-CG1 4.06Å; Y111-V345 HydrophobicContact CG-CG2 4.31Å; Y111-M373 HydrophobicContact CD1-SD 4.49Å; Y111-M373 HydrophobicContact CE1-CE 4.5Å; Y111-M373 HydrophobicContact CE1-CG 4.23Å; Y111-M373 HydrophobicContact CE1-SD 3.74Å
112	Q	90.4	Very high	86.8	Confident	7 Å²	7	33 Å²	33	3%	0.033	16%	0.16	C	C	.	.	H	α-helix	trans	-67.5	-40.5	175.9	-62.1	173.7	-31.2	0	0	110.7	L108 Y109 D110 V114 G115 V116 L138 Q143	L108-Q112 HydrophobicContact CB-CB 4.43Å; L108-Q112 HydrophobicContact CD2-CB 3.8Å; Y109-Q112 HydrophobicContact CD2-CG 4.39Å; Y109-Q112 WeakPolarHBondContact O-CA 3.26Å; Y109-Q112 VanDerWaalsContact O-CB 3.32Å; Y109-Q112 WeakPolarHBondContact O-CB 3.27Å; Y109-Q112 PolarHBondContact O-N 3.46Å; D110-Q112 VanDerWaalsContact C-N 3.34Å; Q112-V114 VanDerWaalsContact C-N 3.34Å; Q112-V114 PolarHBondContact O-N 3.4Å; Q112-G115 WeakPolarHBondContact O-CA 3.4Å; Q112-G115 PolarHBondContact O-N 3.17Å; Q112-V116 WeakPolarHBondContact O-CG2 3.35Å; Q112-V116 PolarHBondContact O-N 2.82Å; Q112-L138 PolarHBondContact NE2-O 3.4Å; Q112-Q143 HydrophobicContact CB-CG 3.7Å; Q112-Q143 HydrophobicContact CG-CG 3.91Å
113	R	88.8	Confident	87.2	Confident	13 Å²	13	34.2 Å²	34.2	5%	0.049	16%	0.163	C	C	.	.	H	α-helix	trans	-56.3	-45.8	170.5	-62.5	173.2	175	175.9	-21.3	111.7	V93 H105 D106 L108 Y109 D110 G115 V116 S117 S369 G370	V93-R113 HydrophobicContact CG1-CB 4.16Å; V93-R113 WeakPolarHBondContact CG1-O 3.29Å; H105-R113 PolarHBondContact CE1-NH2 3.16Å; H105-R113 PolarHBondContact ND1-NH2 3.46Å; H105-R113 VanDerWaalsContact ND1-NH2 3.14Å; H105-R113 PolarHBondContact NE2-NE 3.25Å; H105-R113 PolarHBondContact O-NE 2.92Å; H105-R113 PolarHBondContact O-NH2 3.01Å; D106-R113 IonicContact OD1-NH2 3.18Å; D106-R113 PolarHBondContact OD1-NH2 3.42Å; L108-R113 HydrophobicContact CB-CG 3.93Å; Y109-R113 PolarHBondContact O-N 2.75Å; D110-R113 WeakPolarHBondContact O-CB 3.21Å; D110-R113 PolarHBondContact O-N 3.43Å; D110-R113 IonicContact OD1-NH1 2.69Å; R113-G115 VanDerWaalsContact C-N 3.27Å; R113-G115 PolarHBondContact O-N 3.48Å; R113-V116 PolarHBondContact O-N 3.1Å; R113-S117 VanDerWaalsContact O-CB 3.28Å; R113-S117 WeakPolarHBondContact O-CB 3.34Å; R113-S117 PolarHBondContact O-N 3.1Å; R113-S369 VanDerWaalsContact CZ-O 3.27Å; R113-S369 PolarHBondContact NH1-O 3Å; R113-S369 PolarHBondContact NH2-O 3.18Å; R113-G370 VanDerWaalsContact NH2-CA 3.3Å
114	V	88.8	Confident	87.6	Confident	74 Å²	74	37 Å²	37	45%	0.448	17%	0.17	S	C	.	.	H	α-helix	trans	-61.9	-32.8	173.1	172.4	0	0	0	0	112.5	N94 D110 Y111 Q112 F118	N94-V114 WeakPolarHBondContact ND2-CA 3.23Å; N94-V114 WeakPolarHBondContact ND2-CG2 3.48Å; N94-V114 PolarHBondContact ND2-N 2.87Å; D110-V114 WeakPolarHBondContact O-CG2 3.46Å; D110-V114 PolarHBondContact O-N 3.13Å; Y111-V114 PolarHBondContact O-N 3.3Å; Q112-V114 VanDerWaalsContact C-N 3.34Å; Q112-V114 PolarHBondContact O-N 3.4Å; V114-F118 WeakPolarHBondContact O-CB 3.48Å; V114-F118 PolarHBondContact O-N 2.94Å
115	G	89.7	Confident	87.7	Confident	0 Å²	0	40 Å²	40	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-73.2	-42	176.8	0	0	0	0	0	113.5	Y111 Q112 R113 S117 F118 L119	Y111-G115 PolarHBondContact O-N 3.22Å; Q112-G115 WeakPolarHBondContact O-CA 3.4Å; Q112-G115 PolarHBondContact O-N 3.17Å; R113-G115 VanDerWaalsContact C-N 3.27Å; R113-G115 PolarHBondContact O-N 3.48Å; G115-S117 VanDerWaalsContact C-N 3.34Å; G115-F118 WeakPolarHBondContact O-CB 3.33Å; G115-F118 PolarHBondContact O-N 2.92Å; G115-L119 WeakPolarHBondContact O-CG 3.42Å; G115-L119 PolarHBondContact O-N 3.06Å
116	V	90.8	Very high	87.6	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.5	-45.5	171	174.5	0	0	0	0	110.4	V93 L98 L100 Q112 R113 F118 L119 Y120 Q143 F147	V93-V116 HydrophobicContact CG1-CB 4.36Å; V93-V116 HydrophobicContact CG1-CG1 4.3Å; V93-V116 HydrophobicContact CG2-CG1 4.44Å; L98-V116 HydrophobicContact CD2-CG1 3.58Å; L100-V116 HydrophobicContact CD1-CG1 4.44Å; Q112-V116 WeakPolarHBondContact O-CG2 3.35Å; Q112-V116 PolarHBondContact O-N 2.82Å; R113-V116 PolarHBondContact O-N 3.1Å; V116-F118 VanDerWaalsContact C-N 3.33Å; V116-F118 PolarHBondContact O-N 2.9Å; V116-L119 PolarHBondContact O-N 2.91Å; V116-Y120 PolarHBondContact O-N 2.77Å; V116-Q143 HydrophobicContact CG2-CB 4.4Å; V116-Q143 WeakPolarHBondContact CG2-O 3.15Å; V116-F147 HydrophobicContact CG1-CB 4.37Å
117	S	89.5	Confident	87.5	Confident	29 Å²	29	42.9 Å²	42.9	20%	0.203	21%	0.212	C	C	.	.	H	α-helix	trans	-58.6	-39.8	174.7	178.9	0	0	0	0	112.7	S96 R113 G115 G121	S96-S117 WeakPolarHBondContact CB-OG 3.33Å; R113-S117 VanDerWaalsContact O-CB 3.28Å; R113-S117 WeakPolarHBondContact O-CB 3.34Å; R113-S117 PolarHBondContact O-N 3.1Å; G115-S117 VanDerWaalsContact C-N 3.34Å; S117-G121 PolarHBondContact O-N 2.71Å
118	F	91.5	Very high	87.4	Confident	39 Å²	39	42.6 Å²	42.6	17%	0.171	21%	0.211	C	C	.	.	H	α-helix	trans	-64.1	-46.2	172.5	165.8	-96.9	0	0	0	112.4	V114 G115 V116 Y120 G121 L122 L338	V114-F118 WeakPolarHBondContact O-CB 3.48Å; V114-F118 PolarHBondContact O-N 2.94Å; G115-F118 WeakPolarHBondContact O-CB 3.33Å; G115-F118 PolarHBondContact O-N 2.92Å; V116-F118 VanDerWaalsContact C-N 3.33Å; V116-F118 PolarHBondContact O-N 2.9Å; F118-Y120 VanDerWaalsContact C-N 3.31Å; F118-Y120 PolarHBondContact O-N 2.86Å; F118-G121 WeakPolarHBondContact O-CA 3.13Å; F118-G121 PolarHBondContact O-N 3.06Å; F118-G121 VanDerWaalsContact O-N 3.11Å; F118-L122 HydrophobicContact CE1-CD1 3.88Å; F118-L122 HydrophobicContact CE1-CG 4.33Å; F118-L122 HydrophobicContact CE2-CD2 4.2Å; F118-L122 HydrophobicContact CZ-CD1 4.06Å; F118-L122 HydrophobicContact CZ-CD2 4.04Å; F118-L122 HydrophobicContact CZ-CG 4.23Å; F118-L122 PolarHBondContact O-N 2.83Å; F118-L338 HydrophobicContact CB-CD2 3.82Å; F118-L338 HydrophobicContact CD1-CB 3.75Å; F118-L338 HydrophobicContact CD1-CD2 3.62Å; F118-L338 HydrophobicContact CD1-CG 4.35Å; F118-L338 HydrophobicContact CD2-CB 4.39Å; F118-L338 HydrophobicContact CE1-CB 3.56Å; F118-L338 HydrophobicContact CE1-CD2 4.32Å; F118-L338 HydrophobicContact CE2-CB 4.23Å; F118-L338 HydrophobicContact CG-CB 4.17Å; F118-L338 HydrophobicContact CG-CD2 3.73Å; F118-L338 HydrophobicContact CZ-CB 3.82Å
119	L	91	Very high	87.3	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-61.4	-39.2	178.1	-68.6	172.5	0	0	0	112	G115 V116 L122 Y123 I144 F147 I265	G115-L119 WeakPolarHBondContact O-CG 3.42Å; G115-L119 PolarHBondContact O-N 3.06Å; V116-L119 PolarHBondContact O-N 2.91Å; L119-L122 HydrophobicContact CD2-CD1 4.38Å; L119-L122 WeakPolarHBondContact O-CB 3.47Å; L119-L122 PolarHBondContact O-N 2.77Å; L119-Y123 PolarHBondContact O-N 3.07Å; L119-I144 HydrophobicContact CD1-CD1 3.66Å; L119-F147 HydrophobicContact CB-CD1 4.41Å; L119-F147 HydrophobicContact CB-CD2 3.62Å; L119-F147 HydrophobicContact CB-CE2 3.89Å; L119-F147 HydrophobicContact CB-CG 3.91Å; L119-F147 HydrophobicContact CB-CZ 4.38Å; L119-F147 HydrophobicContact CD1-CB 3.95Å; L119-F147 HydrophobicContact CD1-CD1 4.35Å; L119-F147 HydrophobicContact CD1-CG 4.01Å; L119-I265 HydrophobicContact CD2-CD1 4.11Å; L119-I265 HydrophobicContact CD2-CG2 4.21Å
120	Y	89.5	Confident	87.4	Confident	31 Å²	31	40.6 Å²	40.6	12%	0.122	20%	0.204	C	C	.	.	H	α-helix	trans	-69.5	-36.8	172.5	-172.3	-119.2	0	0	0	112.7	S96 G97 L98 V116 F118 L122 Y123 R124 M151 L156	S96-Y120 WeakPolarHBondContact O-CE1 3.42Å; G97-Y120 WeakPolarHBondContact O-CE1 3.48Å; G97-Y120 PolarHBondContact O-OH 3.14Å; L98-Y120 HydrophobicContact CB-CD1 3.75Å; L98-Y120 HydrophobicContact CB-CD2 4.15Å; L98-Y120 HydrophobicContact CB-CE1 4Å; L98-Y120 HydrophobicContact CB-CE2 4.39Å; L98-Y120 HydrophobicContact CB-CG 3.81Å; L98-Y120 HydrophobicContact CD1-CD2 3.85Å; L98-Y120 HydrophobicContact CD1-CE2 3.94Å; L98-Y120 HydrophobicContact CD1-CG 4.35Å; L98-Y120 HydrophobicContact CG-CD2 4.44Å; L98-Y120 HydrophobicContact CG-CG 4.45Å; V116-Y120 PolarHBondContact O-N 2.77Å; F118-Y120 VanDerWaalsContact C-N 3.31Å; F118-Y120 PolarHBondContact O-N 2.86Å; Y120-L122 VanDerWaalsContact C-N 3.29Å; Y120-L122 PolarHBondContact O-N 2.88Å; Y120-Y123 HydrophobicContact CD2-CD1 4.35Å; Y120-Y123 HydrophobicContact CE2-CD1 4.03Å; Y120-Y123 WeakPolarHBondContact O-CB 3.25Å; Y120-Y123 PolarHBondContact O-N 3.32Å; Y120-Y123 VanDerWaalsContact O-N 3.11Å; Y120-R124 WeakPolarHBondContact O-CB 3.46Å; Y120-R124 PolarHBondContact O-N 3.46Å; Y120-M151 HydrophobicContact CD2-SD 3.67Å; Y120-M151 HydrophobicContact CE2-SD 3.86Å; Y120-L156 HydrophobicContact CE2-CD1 4.01Å
121	G	88	Confident	87.7	Confident	12 Å²	12	36.9 Å²	36.9	12%	0.124	18%	0.184	C	C	.	.	H	α-helix	trans	-56.5	-39.7	171.2	0	0	0	0	0	112.8	S117 F118 D125	S117-G121 PolarHBondContact O-N 2.71Å; F118-G121 WeakPolarHBondContact O-CA 3.13Å; F118-G121 PolarHBondContact O-N 3.06Å; F118-G121 VanDerWaalsContact O-N 3.11Å; G121-D125 WeakPolarHBondContact O-CB 3.46Å; G121-D125 PolarHBondContact O-N 2.86Å
122	L	88.8	Confident	87.9	Confident	6 Å²	6	35.7 Å²	35.7	3%	0.031	18%	0.18	C	C	.	.	H	α-helix	trans	-59.5	-46.8	173.2	-61.5	176.4	0	0	0	111.8	F118 L119 Y120 G126 R127 P335	F118-L122 HydrophobicContact CE1-CD1 3.88Å; F118-L122 HydrophobicContact CE1-CG 4.33Å; F118-L122 HydrophobicContact CE2-CD2 4.2Å; F118-L122 HydrophobicContact CZ-CD1 4.06Å; F118-L122 HydrophobicContact CZ-CD2 4.04Å; F118-L122 HydrophobicContact CZ-CG 4.23Å; F118-L122 PolarHBondContact O-N 2.83Å; L119-L122 HydrophobicContact CD2-CD1 4.38Å; L119-L122 WeakPolarHBondContact O-CB 3.47Å; L119-L122 PolarHBondContact O-N 2.77Å; Y120-L122 VanDerWaalsContact C-N 3.29Å; Y120-L122 PolarHBondContact O-N 2.88Å; L122-G126 PolarHBondContact O-N 2.82Å; L122-R127 HydrophobicContact CB-CB 4.37Å; L122-R127 HydrophobicContact CD2-CB 4.29Å; L122-R127 WeakPolarHBondContact O-CB 3.33Å; L122-R127 PolarHBondContact O-N 2.86Å; L122-P335 VanDerWaalsContact CD2-O 3.29Å; L122-P335 WeakPolarHBondContact CD2-O 3.49Å
123	Y	87	Confident	87.9	Confident	76 Å²	76	35.4 Å²	35.4	30%	0.298	18%	0.178	S	C	.	.	H	α-helix	trans	-62.1	-53.6	178.6	179.5	-103.1	0	0	0	112	L119 Y120 D125 G126 M151 L156 Y236	L119-Y123 PolarHBondContact O-N 3.07Å; Y120-Y123 HydrophobicContact CD2-CD1 4.35Å; Y120-Y123 HydrophobicContact CE2-CD1 4.03Å; Y120-Y123 WeakPolarHBondContact O-CB 3.25Å; Y120-Y123 PolarHBondContact O-N 3.32Å; Y120-Y123 VanDerWaalsContact O-N 3.11Å; Y123-D125 VanDerWaalsContact C-N 3.35Å; Y123-D125 PolarHBondContact O-N 2.85Å; Y123-G126 PolarHBondContact O-N 3.01Å; Y123-M151 HydrophobicContact CD1-CE 3.75Å; Y123-M151 HydrophobicContact CD1-SD 4.4Å; Y123-M151 HydrophobicContact CD2-CE 3.7Å; Y123-M151 HydrophobicContact CE1-CE 3.83Å; Y123-M151 HydrophobicContact CE2-CE 3.77Å; Y123-M151 HydrophobicContact CG-CE 3.68Å; Y123-L156 HydrophobicContact CE1-CD1 3.98Å; Y123-L156 HydrophobicContact CE1-CD2 4.36Å; Y123-Y236 HydrophobicContact CD2-CE2 4.33Å; Y123-Y236 VanDerWaalsContact CD2-OH 3.31Å; Y123-Y236 WeakPolarHBondContact CD2-OH 3.5Å
124	R	86	Confident	87.9	Confident	149 Å²	149	34.8 Å²	34.8	56%	0.562	18%	0.176	S	C	*	.	H	α-helix	trans	-63.8	-38.3	-177.3	-172	-160	66.3	-166.6	-2.5	112.4	Y120 G126	Y120-R124 WeakPolarHBondContact O-CB 3.46Å; Y120-R124 PolarHBondContact O-N 3.46Å; R124-G126 PolarHBondContact O-N 2.87Å
125	D	84.8	Confident	87.7	Confident	71 Å²	71	32.5 Å²	32.5	38%	0.38	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	9.4	177.6	-58.3	0	0	0	0	112.3	G121 Y123 R127	G121-D125 WeakPolarHBondContact O-CB 3.46Å; G121-D125 PolarHBondContact O-N 2.86Å; Y123-D125 VanDerWaalsContact C-N 3.35Å; Y123-D125 PolarHBondContact O-N 2.85Å; D125-R127 VanDerWaalsContact C-N 3.31Å; D125-R127 PolarHBondContact O-N 3.23Å; D125-R127 IonicContact OD2-CZ 3.8Å; D125-R127 IonicContact OD2-NH1 3.17Å; D125-R127 IonicContact OD2-NH2 2.64Å; D125-R127 PolarHBondContact OD2-NH2 2.83Å
126	G	80	Confident	87.4	Confident	62 Å²	62	33.2 Å²	33.2	64%	0.639	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.4	14.8	174.3	0	0	0	0	0	115.5	L122 Y123 R124	L122-G126 PolarHBondContact O-N 2.82Å; Y123-G126 PolarHBondContact O-N 3.01Å; R124-G126 PolarHBondContact O-N 2.87Å
127	R	83	Confident	86.8	Confident	60 Å²	60	34.2 Å²	34.2	23%	0.226	18%	0.175	C	C	.	.			trans	-81.1	121.2	-177	-62.7	-178	-166.3	122.5	28.9	110.3	L122 D125 G129 P335 Y336	L122-R127 HydrophobicContact CB-CB 4.37Å; L122-R127 HydrophobicContact CD2-CB 4.29Å; L122-R127 WeakPolarHBondContact O-CB 3.33Å; L122-R127 PolarHBondContact O-N 2.86Å; D125-R127 VanDerWaalsContact C-N 3.31Å; D125-R127 PolarHBondContact O-N 3.23Å; D125-R127 IonicContact OD2-CZ 3.8Å; D125-R127 IonicContact OD2-NH1 3.17Å; D125-R127 IonicContact OD2-NH2 2.64Å; D125-R127 PolarHBondContact OD2-NH2 2.83Å; R127-G129 PolarHBondContact O-N 2.91Å; R127-P335 PolarHBondContact NH1-O 3.44Å; R127-Y336 HydrophobicContact CB-CD1 4.3Å; R127-Y336 HydrophobicContact CB-CE1 3.79Å; R127-Y336 HydrophobicContact CG-CD1 4.45Å; R127-Y336 HydrophobicContact CG-CE1 3.73Å
128	R	80.8	Confident	86.6	Confident	113 Å²	113	32.9 Å²	32.9	43%	0.426	17%	0.165	S	C	.	.	S	Bend	trans	-64.6	-1.6	-177.4	-59.5	-168.9	-177.2	-166.4	2.1	115.5	N263 R264 Q288	R128-N263 CarbonylContact O-C 3.5Å; R128-N263 VanDerWaalsContact O-CA 3.24Å; R128-N263 WeakPolarHBondContact O-CA 3.41Å; R128-R264 PolarHBondContact O-N 3.11Å; R128-Q288 VanDerWaalsContact CD-OE1 3.27Å
129	G	85.1	Confident	86.3	Confident	3 Å²	3	32.1 Å²	32.1	3%	0.031	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.3	-176.4	179.4	0	0	0	0	0	114.5	R127 R264	R127-G129 PolarHBondContact O-N 2.91Å; G129-R264 CarbonylContact C-O 3.54Å; G129-R264 WeakPolarHBondContact CA-O 3.44Å
130	G	89.9	Confident	86.3	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.9	174.5	176.9	0	0	0	0	0	112.9	R264 I265 L266 Y336	G130-R264 PolarHBondContact N-O 3.4Å; G130-R264 VanDerWaalsContact N-O 3.11Å; G130-I265 WeakPolarHBondContact O-CA 3.25Å; G130-L266 PolarHBondContact O-N 2.69Å; G130-Y336 CarbonylContact C-O 3.56Å; G130-Y336 WeakPolarHBondContact CA-O 3.34Å
131	V	91.4	Very high	86.4	Confident	3 Å²	3	32.4 Å²	32.4	2%	0.018	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	116.6	-172.9	-173.8	0	0	0	0	110	A133 L266 T268 F283 Y336 F337 L338	V131-A133 HydrophobicContact CG1-CB 4.27Å; V131-L266 CarbonylContact C-O 3.3Å; V131-L266 WeakPolarHBondContact CA-O 3.16Å; V131-L266 HydrophobicContact CG1-CB 4.3Å; V131-L266 HydrophobicContact CG2-CB 4.2Å; V131-L266 HydrophobicContact CG2-CD1 4.32Å; V131-T268 HydrophobicContact CG1-CG2 4.14Å; V131-F283 HydrophobicContact CB-CE1 4.2Å; V131-F283 HydrophobicContact CB-CZ 4.44Å; V131-F283 HydrophobicContact CG2-CD1 3.95Å; V131-F283 HydrophobicContact CG2-CE1 3.49Å; V131-F283 VanDerWaalsContact CG2-CE1 3.49Å; V131-F283 HydrophobicContact CG2-CZ 3.98Å; V131-Y336 PolarHBondContact N-O 3.32Å; V131-F337 HydrophobicContact CB-CD2 4.06Å; V131-F337 HydrophobicContact CG1-CD2 4.18Å; V131-F337 HydrophobicContact CG1-CE2 4.41Å; V131-L338 PolarHBondContact O-N 3.45Å
132	L	92.1	Very high	86.6	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	101	171.9	-175.7	64.4	0	0	0	109.2	K140 Q143 L266 L267 T268 L338	L132-K140 HydrophobicContact CD2-CB 4.21Å; L132-K140 HydrophobicContact CD2-CD 4.38Å; L132-K140 HydrophobicContact CD2-CG 4.03Å; L132-K140 HydrophobicContact CG-CD 4.12Å; L132-K140 HydrophobicContact CG-CG 4.16Å; L132-K140 VanDerWaalsContact O-CD 3.31Å; L132-K140 WeakPolarHBondContact O-CD 3.4Å; L132-Q143 HydrophobicContact CD2-CB 4.39Å; L132-L266 PolarHBondContact N-O 3.18Å; L132-L267 HydrophobicContact CB-CD2 4.06Å; L132-L267 HydrophobicContact CD2-CD2 4.3Å; L132-L267 WeakPolarHBondContact O-CA 3.45Å; L132-T268 PolarHBondContact O-N 2.98Å; L132-L338 HydrophobicContact CD1-CB 4.28Å; L132-L338 HydrophobicContact CD1-CD2 3.95Å; L132-L338 HydrophobicContact CD1-CG 4.17Å
133	A	89.4	Confident	86.7	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.168	C	C	.	.			trans	-112.8	29.3	-170.7	0	0	0	0	0	113.2	V131 T268 P271 F337 L338 R339	V131-A133 HydrophobicContact CG1-CB 4.27Å; A133-T268 WeakPolarHBondContact CA-O 3.4Å; A133-T268 HydrophobicContact CB-CG2 3.98Å; A133-P271 HydrophobicContact CB-CB 3.83Å; A133-P271 HydrophobicContact CB-CG 3.87Å; A133-F337 HydrophobicContact CB-CD2 4.32Å; A133-F337 HydrophobicContact CB-CE2 3.46Å; A133-F337 VanDerWaalsContact CB-CE2 3.46Å; A133-F337 HydrophobicContact CB-CZ 3.85Å; A133-L338 PolarHBondContact N-O 2.69Å; A133-R339 HydrophobicContact CB-CB 4.01Å; A133-R339 WeakPolarHBondContact O-CB 3.39Å; A133-R339 WeakPolarHBondContact O-CD 3.31Å; A133-R339 WeakPolarHBondContact O-CG 3.46Å
134	D	88.9	Confident	87.1	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-51.9	142.9	171.7	-74.7	-26	0	0	0	112.6	L138 K140 Q143 R340	D134-L138 HydrophobicContact CB-CB 4.31Å; D134-L138 HydrophobicContact CB-CD1 4.22Å; D134-K140 HydrophobicContact CB-CD 4.2Å; D134-K140 HydrophobicContact CB-CG 3.89Å; D134-K140 PolarHBondContact O-NZ 3.02Å; D134-Q143 PolarHBondContact OD2-NE2 3.42Å; D134-R340 VanDerWaalsContact CG-NH2 3.26Å; D134-R340 IonicContact OD1-CZ 2.77Å; D134-R340 VanDerWaalsContact OD1-CZ 3.3Å; D134-R340 IonicContact OD1-NE 3.67Å; D134-R340 PolarHBondContact OD1-NE 3.06Å; D134-R340 IonicContact OD1-NH2 3.91Å; D134-R340 PolarHBondContact OD1-NH2 2.61Å; D134-R340 IonicContact OD2-CZ 3.41Å; D134-R340 IonicContact OD2-NE 3.51Å; D134-R340 IonicContact OD2-NH2 3.57Å; D134-R340 PolarHBondContact OD2-NH2 3.49Å
135	D	84.4	Confident	87.4	Confident	27 Å²	27	21.4 Å²	21.4	14%	0.144	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-52	151.3	171.2	-78.3	4.6	0	0	0	112.2	L138 R339 R340 T341 K342	D135-L138 HydrophobicContact CB-CD1 3.98Å; D135-L138 HydrophobicContact CB-CG 4.36Å; D135-L138 WeakPolarHBondContact O-CB 3.28Å; D135-L138 PolarHBondContact O-N 2.65Å; D135-R339 IonicContact OD1-CZ 3.66Å; D135-R339 IonicContact OD1-NE 2.81Å; D135-R339 PolarHBondContact OD1-NE 3.29Å; D135-R339 IonicContact OD1-NH2 3Å; D135-R339 PolarHBondContact OD1-NH2 3.05Å; D135-R340 PolarHBondContact N-O 2.82Å; D135-T341 WeakPolarHBondContact OD2-CA 3.48Å; D135-T341 WeakPolarHBondContact OD2-CB 3.37Å; D135-K342 HydrophobicContact CB-CG 3.97Å; D135-K342 PolarHBondContact OD2-N 3.04Å
136	M	83.4	Confident	87.7	Confident	15 Å²	15	18 Å²	18	7%	0.074	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	136.8	-170.4	-55.9	-177.4	70.5	0	0	111.9	E241 G269 K342 Q576 D579	M136-E241 WeakPolarHBondContact CE-OE1 3.48Å; M136-G269 VanDerWaalsContact CG-CA 3.43Å; M136-K342 WeakPolarHBondContact O-CE 3.44Å; M136-K342 PolarHBondContact O-NZ 3.39Å; M136-Q576 HydrophobicContact CE-CG 3.97Å; M136-Q576 HydrophobicContact SD-CG 3.54Å; M136-Q576 VanDerWaalsContact SD-CG 3.54Å; M136-D579 HydrophobicContact CB-CB 4.29Å; M136-D579 WeakPolarHBondContact CB-OD2 3.46Å
137	G	78.3	Confident	88.3	Confident	20 Å²	20	15 Å²	15	21%	0.206	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.4	-6.9	-174.4	0	0	0	0	0	115.5	G139 I584	G137-G139 PolarHBondContact O-N 2.76Å; G137-I584 VanDerWaalsContact O-CD1 3.22Å; G137-I584 WeakPolarHBondContact O-CD1 3.21Å; G137-I584 WeakPolarHBondContact O-CG1 3.39Å
138	L	84.3	Confident	88.8	Confident	1 Å²	1	12.2 Å²	12.2	1%	0.005	7%	0.067	C	C	.	.	S	Bend	trans	-70.7	-4.4	170.7	-70	-178.4	0	0	0	114.1	Y111 Q112 D134 D135 R340 K342 V345 M373	Y111-L138 HydrophobicContact CE2-CB 3.98Å; Y111-L138 HydrophobicContact CE2-CD2 4.36Å; Y111-L138 WeakPolarHBondContact CE2-O 3.3Å; Y111-L138 PolarHBondContact OH-O 2.95Å; Q112-L138 PolarHBondContact NE2-O 3.4Å; D134-L138 HydrophobicContact CB-CB 4.31Å; D134-L138 HydrophobicContact CB-CD1 4.22Å; D135-L138 HydrophobicContact CB-CD1 3.98Å; D135-L138 HydrophobicContact CB-CG 4.36Å; D135-L138 WeakPolarHBondContact O-CB 3.28Å; D135-L138 PolarHBondContact O-N 2.65Å; L138-R340 WeakPolarHBondContact CD1-O 3.31Å; L138-K342 HydrophobicContact CD2-CG 4.23Å; L138-K342 HydrophobicContact CG-CG 4.37Å; L138-V345 HydrophobicContact CD1-CG2 4.34Å; L138-M373 HydrophobicContact CD2-CE 3.99Å
139	G	86.4	Confident	89.2	Confident	23 Å²	23	7.5 Å²	7.5	24%	0.237	5%	0.052	C	C	.	.			trans	79.1	72.1	179.1	0	0	0	0	0	112.8	G137 I142 Q143	G137-G139 PolarHBondContact O-N 2.76Å; G139-I142 WeakPolarHBondContact O-CG2 3.34Å; G139-Q143 WeakPolarHBondContact O-CG 3.37Å; G139-Q143 PolarHBondContact O-NE2 3.38Å
140	K	90.8	Very high	89.3	Confident	18 Å²	18	7.3 Å²	7.3	8%	0.078	5%	0.05	C	C	.	.	H	α-helix	trans	-73.6	-37.6	168.2	-71.6	-170.5	-72.8	-94.5	0	111.8	L132 D134 Q143 I144 L267 T268	L132-K140 HydrophobicContact CD2-CB 4.21Å; L132-K140 HydrophobicContact CD2-CD 4.38Å; L132-K140 HydrophobicContact CD2-CG 4.03Å; L132-K140 HydrophobicContact CG-CD 4.12Å; L132-K140 HydrophobicContact CG-CG 4.16Å; L132-K140 VanDerWaalsContact O-CD 3.31Å; L132-K140 WeakPolarHBondContact O-CD 3.4Å; D134-K140 HydrophobicContact CB-CD 4.2Å; D134-K140 HydrophobicContact CB-CG 3.89Å; D134-K140 PolarHBondContact O-NZ 3.02Å; K140-Q143 PolarHBondContact O-N 3.41Å; K140-I144 PolarHBondContact O-N 3.41Å; K140-I144 VanDerWaalsContact O-N 3.07Å; K140-L267 HydrophobicContact CD-CB 4.35Å; K140-T268 VanDerWaalsContact CE-O 3.31Å; K140-T268 WeakPolarHBondContact CE-O 3.18Å; K140-T268 PolarHBondContact NZ-O 3.22Å
141	T	91.6	Very high	89.3	Confident	22 Å²	22	7.3 Å²	7.3	14%	0.135	5%	0.05	C	C	.	.	H	α-helix	trans	-53.7	-59.5	178.9	-39.5	0	0	0	0	111.6	Q143 I144 I145 W172 E175	T141-Q143 VanDerWaalsContact C-N 3.32Å; T141-Q143 PolarHBondContact O-N 2.92Å; T141-I144 CarbonylContact O-C 3.6Å; T141-I144 WeakPolarHBondContact O-CA 3.38Å; T141-I144 PolarHBondContact O-N 3.29Å; T141-I145 HydrophobicContact CG2-CD1 3.99Å; T141-I145 WeakPolarHBondContact O-CG1 3.12Å; T141-I145 PolarHBondContact O-N 3.05Å; T141-W172 HydrophobicContact CG2-CD2 3.63Å; T141-W172 HydrophobicContact CG2-CE3 3.64Å; T141-W172 HydrophobicContact CG2-CG 4.29Å; T141-W172 HydrophobicContact CG2-CH2 3.99Å; T141-W172 HydrophobicContact CG2-CZ2 3.96Å; T141-W172 HydrophobicContact CG2-CZ3 3.83Å; T141-E175 WeakPolarHBondContact CB-OE2 3.32Å; T141-E175 HydrophobicContact CG2-CB 4.27Å; T141-E175 VanDerWaalsContact CG2-CD 3.47Å; T141-E175 HydrophobicContact CG2-CG 4.43Å; T141-E175 WeakPolarHBondContact CG2-OE1 3.46Å; T141-E175 WeakPolarHBondContact CG2-OE2 3.31Å
142	I	91.3	Very high	89.2	Confident	11 Å²	11	8.8 Å²	8.8	6%	0.056	6%	0.055	C	C	.	.	H	α-helix	trans	-56	-40.6	177.8	-168.2	-177.8	0	0	0	113	L108 G139 I144 I145 S146 W179	L108-I142 HydrophobicContact CD2-CD1 3.86Å; L108-I142 HydrophobicContact CD2-CG1 3.95Å; G139-I142 WeakPolarHBondContact O-CG2 3.34Å; I142-I144 VanDerWaalsContact C-N 3.29Å; I142-I144 PolarHBondContact O-N 2.97Å; I142-I145 PolarHBondContact O-N 3.28Å; I142-S146 WeakPolarHBondContact O-CB 3.14Å; I142-S146 PolarHBondContact O-N 2.91Å; I142-S146 PolarHBondContact O-OG 2.95Å; I142-S146 VanDerWaalsContact O-OG 3.11Å; I142-W179 HydrophobicContact CD1-CD2 4Å; I142-W179 HydrophobicContact CD1-CE3 4.14Å; I142-W179 HydrophobicContact CD1-CH2 3.61Å; I142-W179 HydrophobicContact CD1-CZ2 3.43Å; I142-W179 VanDerWaalsContact CD1-CZ2 3.43Å; I142-W179 HydrophobicContact CD1-CZ3 3.95Å; I142-W179 HydrophobicContact CG1-CD2 4.12Å; I142-W179 HydrophobicContact CG1-CG 4.43Å; I142-W179 HydrophobicContact CG1-CZ2 4.25Å
143	Q	92.6	Very high	88.9	Confident	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-60.4	-38.6	175.4	-72.6	174.4	87.7	0	0	112.2	Q112 V116 L132 D134 G139 K140 T141 F147	Q112-Q143 HydrophobicContact CB-CG 3.7Å; Q112-Q143 HydrophobicContact CG-CG 3.91Å; V116-Q143 HydrophobicContact CG2-CB 4.4Å; V116-Q143 WeakPolarHBondContact CG2-O 3.15Å; L132-Q143 HydrophobicContact CD2-CB 4.39Å; D134-Q143 PolarHBondContact OD2-NE2 3.42Å; G139-Q143 WeakPolarHBondContact O-CG 3.37Å; G139-Q143 PolarHBondContact O-NE2 3.38Å; K140-Q143 PolarHBondContact O-N 3.41Å; T141-Q143 VanDerWaalsContact C-N 3.32Å; T141-Q143 PolarHBondContact O-N 2.92Å; Q143-F147 WeakPolarHBondContact O-CB 3.29Å; Q143-F147 PolarHBondContact O-N 3.47Å
144	I	93.8	Very high	88.6	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-74.8	-37	176.6	-66.7	-71.5	0	0	0	111.7	L119 K140 T141 I142 L148 W172 I238 I265 L267	L119-I144 HydrophobicContact CD1-CD1 3.66Å; K140-I144 PolarHBondContact O-N 3.41Å; K140-I144 VanDerWaalsContact O-N 3.07Å; T141-I144 CarbonylContact O-C 3.6Å; T141-I144 WeakPolarHBondContact O-CA 3.38Å; T141-I144 PolarHBondContact O-N 3.29Å; I142-I144 VanDerWaalsContact C-N 3.29Å; I142-I144 PolarHBondContact O-N 2.97Å; I144-L148 HydrophobicContact CG2-CD1 3.98Å; I144-L148 HydrophobicContact CG2-CG 4.36Å; I144-L148 WeakPolarHBondContact O-CB 3.15Å; I144-L148 VanDerWaalsContact O-CG 3.23Å; I144-L148 WeakPolarHBondContact O-CG 3.36Å; I144-L148 PolarHBondContact O-N 2.69Å; I144-W172 HydrophobicContact CB-CH2 4.2Å; I144-W172 HydrophobicContact CG2-CH2 3.96Å; I144-W172 HydrophobicContact CG2-CZ3 4.13Å; I144-I238 HydrophobicContact CG2-CD1 3.9Å; I144-I238 HydrophobicContact CG2-CG2 4.38Å; I144-I265 HydrophobicContact CD1-CD1 4.39Å; I144-I265 HydrophobicContact CD1-CG2 4.06Å; I144-L267 HydrophobicContact CD1-CD2 3.58Å; I144-L267 HydrophobicContact CG1-CD1 3.91Å; I144-L267 HydrophobicContact CG1-CD2 3.6Å; I144-L267 HydrophobicContact CG1-CG 4.42Å
145	I	93.3	Very high	88.4	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.2	-47.7	175.3	-62.4	175.2	0	0	0	110.3	T141 I142 L148 S149 W172 E175 F176 W179 T180	T141-I145 HydrophobicContact CG2-CD1 3.99Å; T141-I145 WeakPolarHBondContact O-CG1 3.12Å; T141-I145 PolarHBondContact O-N 3.05Å; I142-I145 PolarHBondContact O-N 3.28Å; I145-L148 PolarHBondContact O-N 3.46Å; I145-S149 PolarHBondContact O-N 2.85Å; I145-W172 HydrophobicContact CG1-CZ3 4.39Å; I145-E175 HydrophobicContact CD1-CB 3.66Å; I145-F176 HydrophobicContact CB-CD1 4.5Å; I145-F176 HydrophobicContact CB-CE1 4.25Å; I145-F176 HydrophobicContact CD1-CD1 4.05Å; I145-F176 HydrophobicContact CD1-CE1 4.21Å; I145-F176 HydrophobicContact CD1-CG 4.35Å; I145-F176 HydrophobicContact CG1-CD1 3.88Å; I145-F176 HydrophobicContact CG1-CE1 3.59Å; I145-F176 HydrophobicContact CG1-CZ 4.07Å; I145-F176 HydrophobicContact CG2-CD1 3.94Å; I145-F176 HydrophobicContact CG2-CE1 4.06Å; I145-W179 HydrophobicContact CG2-CB 3.94Å; I145-T180 HydrophobicContact CG2-CG2 3.7Å
146	S	91.6	Very high	88.5	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.1	-43	176.7	-58.7	0	0	0	0	112.4	L100 I142 L148 S149 G150	L100-S146 WeakPolarHBondContact CD2-O 3.47Å; I142-S146 WeakPolarHBondContact O-CB 3.14Å; I142-S146 PolarHBondContact O-N 2.91Å; I142-S146 PolarHBondContact O-OG 2.95Å; I142-S146 VanDerWaalsContact O-OG 3.11Å; S146-L148 VanDerWaalsContact C-N 3.34Å; S146-L148 PolarHBondContact O-N 3.33Å; S146-S149 PolarHBondContact O-N 3.14Å; S146-G150 PolarHBondContact O-N 2.9Å
147	F	92.6	Very high	88.8	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-58.5	-45.5	172.6	171.1	-106.1	0	0	0	111.8	V116 L119 Q143 M151 Y236 I265	V116-F147 HydrophobicContact CG1-CB 4.37Å; L119-F147 HydrophobicContact CB-CD1 4.41Å; L119-F147 HydrophobicContact CB-CD2 3.62Å; L119-F147 HydrophobicContact CB-CE2 3.89Å; L119-F147 HydrophobicContact CB-CG 3.91Å; L119-F147 HydrophobicContact CB-CZ 4.38Å; L119-F147 HydrophobicContact CD1-CB 3.95Å; L119-F147 HydrophobicContact CD1-CD1 4.35Å; L119-F147 HydrophobicContact CD1-CG 4.01Å; Q143-F147 WeakPolarHBondContact O-CB 3.29Å; Q143-F147 PolarHBondContact O-N 3.47Å; F147-M151 HydrophobicContact CD2-CG 4.01Å; F147-M151 HydrophobicContact CE1-CG 4.17Å; F147-M151 HydrophobicContact CE2-CG 3.57Å; F147-M151 HydrophobicContact CE2-SD 3.83Å; F147-M151 HydrophobicContact CG-CG 4.47Å; F147-M151 HydrophobicContact CZ-CE 4.33Å; F147-M151 HydrophobicContact CZ-CG 3.67Å; F147-M151 HydrophobicContact CZ-SD 4.08Å; F147-M151 WeakPolarHBondContact O-CB 3.3Å; F147-M151 WeakPolarHBondContact O-CG 3.32Å; F147-M151 PolarHBondContact O-N 3.32Å; F147-M151 VanDerWaalsContact O-N 3.17Å; F147-Y236 HydrophobicContact CE1-CD1 4.42Å; F147-Y236 AromaticContact CE1-CE1 3.95Å; F147-Y236 HydrophobicContact CE1-CE1 3.95Å; F147-Y236 HydrophobicContact CZ-CE1 4.11Å; F147-Y236 HydrophobicContact CZ-CE2 4.45Å; F147-Y236 AromaticContact CZ-CZ 3.81Å; F147-I265 HydrophobicContact CD1-CD1 4.27Å; F147-I265 HydrophobicContact CE1-CD1 3.8Å
148	L	92.1	Very high	89.2	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.5	-40.7	177.7	-73.3	173.7	0	0	0	112.1	I144 I145 S146 M151 Y152 I157 T160 M183 I238	I144-L148 HydrophobicContact CG2-CD1 3.98Å; I144-L148 HydrophobicContact CG2-CG 4.36Å; I144-L148 WeakPolarHBondContact O-CB 3.15Å; I144-L148 VanDerWaalsContact O-CG 3.23Å; I144-L148 WeakPolarHBondContact O-CG 3.36Å; I144-L148 PolarHBondContact O-N 2.69Å; I145-L148 PolarHBondContact O-N 3.46Å; S146-L148 VanDerWaalsContact C-N 3.34Å; S146-L148 PolarHBondContact O-N 3.33Å; L148-M151 PolarHBondContact O-N 2.78Å; L148-Y152 HydrophobicContact CD2-CE2 4.49Å; L148-Y152 VanDerWaalsContact O-CD2 3.25Å; L148-Y152 WeakPolarHBondContact O-CD2 3.47Å; L148-Y152 PolarHBondContact O-N 2.98Å; L148-I157 HydrophobicContact CD2-CD1 3.63Å; L148-T160 HydrophobicContact CD1-CG2 4.1Å; L148-T160 HydrophobicContact CD2-CG2 3.79Å; L148-M183 HydrophobicContact CB-CE 4.43Å; L148-I238 HydrophobicContact CD1-CD1 4.3Å; L148-I238 HydrophobicContact CD2-CD1 4.17Å; L148-I238 HydrophobicContact CG-CD1 4.45Å
149	S	90	Very high	89.6	Confident	14 Å²	14	27 Å²	27	10%	0.098	14%	0.142	C	C	.	.	H	α-helix	trans	-53.6	-64.6	175.8	-156.2	0	0	0	0	110	I145 S146 M151 Y152 D153	I145-S149 PolarHBondContact O-N 2.85Å; S146-S149 PolarHBondContact O-N 3.14Å; S149-M151 PolarHBondContact O-N 3.5Å; S149-Y152 CarbonylContact O-C 3.6Å; S149-Y152 WeakPolarHBondContact O-CA 3.49Å; S149-Y152 PolarHBondContact O-N 3.46Å; S149-D153 VanDerWaalsContact C-CG 3.5Å; S149-D153 WeakPolarHBondContact CB-OD2 3.42Å; S149-D153 WeakPolarHBondContact O-CB 3.46Å; S149-D153 PolarHBondContact O-N 2.95Å; S149-D153 PolarHBondContact OG-OD2 3.38Å
150	G	87.7	Confident	90	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-57.5	-27.1	-178.1	0	0	0	0	0	114	M99 S146 N154	M99-G150 WeakPolarHBondContact O-CA 3.09Å; S146-G150 PolarHBondContact O-N 2.9Å; G150-N154 WeakPolarHBondContact O-CB 3.38Å; G150-N154 PolarHBondContact O-N 2.97Å; G150-N154 VanDerWaalsContact O-N 3.14Å; G150-N154 PolarHBondContact O-ND2 2.82Å
151	M	89.7	Confident	90.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-78.3	-28.5	175.2	-65.3	-69.8	-63.1	0	0	113.6	L98 Y120 Y123 F147 L148 S149 L156 I157 Y236	L98-M151 HydrophobicContact CD1-CG 4.42Å; L98-M151 HydrophobicContact CD1-SD 4.11Å; Y120-M151 HydrophobicContact CD2-SD 3.67Å; Y120-M151 HydrophobicContact CE2-SD 3.86Å; Y123-M151 HydrophobicContact CD1-CE 3.75Å; Y123-M151 HydrophobicContact CD1-SD 4.4Å; Y123-M151 HydrophobicContact CD2-CE 3.7Å; Y123-M151 HydrophobicContact CE1-CE 3.83Å; Y123-M151 HydrophobicContact CE2-CE 3.77Å; Y123-M151 HydrophobicContact CG-CE 3.68Å; F147-M151 HydrophobicContact CD2-CG 4.01Å; F147-M151 HydrophobicContact CE1-CG 4.17Å; F147-M151 HydrophobicContact CE2-CG 3.57Å; F147-M151 HydrophobicContact CE2-SD 3.83Å; F147-M151 HydrophobicContact CG-CG 4.47Å; F147-M151 HydrophobicContact CZ-CE 4.33Å; F147-M151 HydrophobicContact CZ-CG 3.67Å; F147-M151 HydrophobicContact CZ-SD 4.08Å; F147-M151 WeakPolarHBondContact O-CB 3.3Å; F147-M151 WeakPolarHBondContact O-CG 3.32Å; F147-M151 PolarHBondContact O-N 3.32Å; F147-M151 VanDerWaalsContact O-N 3.17Å; L148-M151 PolarHBondContact O-N 2.78Å; S149-M151 PolarHBondContact O-N 3.5Å; M151-L156 HydrophobicContact CE-CB 3.81Å; M151-L156 HydrophobicContact CE-CD1 3.89Å; M151-L156 WeakPolarHBondContact O-CB 3.47Å; M151-L156 PolarHBondContact O-N 3.27Å; M151-L156 HydrophobicContact SD-CB 4.45Å; M151-L156 HydrophobicContact SD-CD1 3.68Å; M151-I157 HydrophobicContact CB-CD1 3.59Å; M151-I157 HydrophobicContact CB-CG1 3.78Å; M151-I157 HydrophobicContact CB-CG2 4.32Å; M151-I157 HydrophobicContact CE-CG2 3.83Å; M151-I157 PolarHBondContact O-N 2.95Å; M151-Y236 HydrophobicContact CE-CE2 4.24Å
152	Y	89.1	Confident	90.4	Very high	33 Å²	33	24 Å²	24	13%	0.129	12%	0.121	C	C	.	.	H	α-helix	trans	-81.2	-38.8	170.3	-84.9	-71.8	0	0	0	112	L148 S149 N154 D155 I157 T160 M183 G208 V209	L148-Y152 HydrophobicContact CD2-CE2 4.49Å; L148-Y152 VanDerWaalsContact O-CD2 3.25Å; L148-Y152 WeakPolarHBondContact O-CD2 3.47Å; L148-Y152 PolarHBondContact O-N 2.98Å; S149-Y152 CarbonylContact O-C 3.6Å; S149-Y152 WeakPolarHBondContact O-CA 3.49Å; S149-Y152 PolarHBondContact O-N 3.46Å; Y152-N154 VanDerWaalsContact C-N 3.33Å; Y152-N154 PolarHBondContact O-N 3.01Å; Y152-D155 WeakPolarHBondContact O-CA 3.47Å; Y152-D155 PolarHBondContact O-N 3.22Å; Y152-I157 HydrophobicContact CD1-CG1 4.13Å; Y152-I157 VanDerWaalsContact CD1-O 3.28Å; Y152-I157 WeakPolarHBondContact CD1-O 3.45Å; Y152-I157 HydrophobicContact CD2-CD1 3.84Å; Y152-I157 HydrophobicContact CD2-CG1 3.99Å; Y152-I157 HydrophobicContact CE1-CG1 4.1Å; Y152-I157 WeakPolarHBondContact CE1-O 3.5Å; Y152-I157 HydrophobicContact CE2-CD1 3.59Å; Y152-I157 HydrophobicContact CE2-CG1 3.91Å; Y152-I157 HydrophobicContact CG-CD1 4.42Å; Y152-I157 HydrophobicContact CG-CG1 4.06Å; Y152-T160 WeakPolarHBondContact CE2-OG1 3.13Å; Y152-T160 PolarHBondContact OH-N 2.83Å; Y152-T160 PolarHBondContact OH-OG1 3.5Å; Y152-M183 HydrophobicContact CD2-SD 3.57Å; Y152-M183 VanDerWaalsContact CD2-SD 3.57Å; Y152-M183 HydrophobicContact CE2-SD 3.91Å; Y152-M183 HydrophobicContact CG-SD 4.42Å; Y152-G208 PolarHBondContact OH-O 3.38Å; Y152-G208 VanDerWaalsContact OH-O 3.06Å; Y152-V209 HydrophobicContact CE2-CG2 3.84Å
153	D	85.9	Confident	90.5	Very high	84 Å²	84	23.4 Å²	23.4	45%	0.449	12%	0.118	S	C	.	.	H	α-helix	trans	-68.5	-34	-177.6	-54.6	-29.1	0	0	0	110.6	F90 S149 D155	F90-D153 HydrophobicContact CE1-CB 4.45Å; S149-D153 VanDerWaalsContact C-CG 3.5Å; S149-D153 WeakPolarHBondContact CB-OD2 3.42Å; S149-D153 WeakPolarHBondContact O-CB 3.46Å; S149-D153 PolarHBondContact O-N 2.95Å; S149-D153 PolarHBondContact OG-OD2 3.38Å; D153-D155 VanDerWaalsContact C-N 3.3Å
154	N	83.5	Confident	90.4	Very high	66 Å²	66	23.4 Å²	23.4	35%	0.353	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	12.4	168.4	-65.3	-79.5	0	0	0	113.6	G150 Y152 L156	G150-N154 WeakPolarHBondContact O-CB 3.38Å; G150-N154 PolarHBondContact O-N 2.97Å; G150-N154 VanDerWaalsContact O-N 3.14Å; G150-N154 PolarHBondContact O-ND2 2.82Å; Y152-N154 VanDerWaalsContact C-N 3.33Å; Y152-N154 PolarHBondContact O-N 3.01Å; N154-L156 HydrophobicContact CB-CD1 4.13Å; N154-L156 HydrophobicContact CB-CG 4.01Å; N154-L156 PolarHBondContact O-N 3.25Å
155	D	84.3	Confident	90.1	Very high	98 Å²	98	24.9 Å²	24.9	52%	0.524	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	20.1	177.7	-148.1	11.2	0	0	0	116	Y152 D153 K158	Y152-D155 WeakPolarHBondContact O-CA 3.47Å; Y152-D155 PolarHBondContact O-N 3.22Å; D153-D155 VanDerWaalsContact C-N 3.3Å; D155-K158 WeakPolarHBondContact OD1-CE 3.49Å; D155-K158 IonicContact OD1-NZ 2.74Å; D155-K158 PolarHBondContact OD1-NZ 2.8Å; D155-K158 IonicContact OD2-NZ 3.81Å; D155-K158 PolarHBondContact OD2-NZ 2.76Å
156	L	85.6	Confident	89.6	Confident	62 Å²	62	27.3 Å²	27.3	33%	0.325	14%	0.142	S	C	.	.			trans	-73	-25.1	-177.1	-63.5	175	0	0	0	113.3	Y120 Y123 M151 N154	Y120-L156 HydrophobicContact CE2-CD1 4.01Å; Y123-L156 HydrophobicContact CE1-CD1 3.98Å; Y123-L156 HydrophobicContact CE1-CD2 4.36Å; M151-L156 HydrophobicContact CE-CB 3.81Å; M151-L156 HydrophobicContact CE-CD1 3.89Å; M151-L156 WeakPolarHBondContact O-CB 3.47Å; M151-L156 PolarHBondContact O-N 3.27Å; M151-L156 HydrophobicContact SD-CB 4.45Å; M151-L156 HydrophobicContact SD-CD1 3.68Å; N154-L156 HydrophobicContact CB-CD1 4.13Å; N154-L156 HydrophobicContact CB-CG 4.01Å; N154-L156 PolarHBondContact O-N 3.25Å
157	I	89.3	Confident	89	Confident	3 Å²	3	29.2 Å²	29.2	2%	0.015	16%	0.155	C	C	.	.			trans	-132.7	149.3	178.8	66.4	176.4	0	0	0	110.8	L148 M151 Y152 D235 Y236	L148-I157 HydrophobicContact CD2-CD1 3.63Å; M151-I157 HydrophobicContact CB-CD1 3.59Å; M151-I157 HydrophobicContact CB-CG1 3.78Å; M151-I157 HydrophobicContact CB-CG2 4.32Å; M151-I157 HydrophobicContact CE-CG2 3.83Å; M151-I157 PolarHBondContact O-N 2.95Å; Y152-I157 HydrophobicContact CD1-CG1 4.13Å; Y152-I157 VanDerWaalsContact CD1-O 3.28Å; Y152-I157 WeakPolarHBondContact CD1-O 3.45Å; Y152-I157 HydrophobicContact CD2-CD1 3.84Å; Y152-I157 HydrophobicContact CD2-CG1 3.99Å; Y152-I157 HydrophobicContact CE1-CG1 4.1Å; Y152-I157 WeakPolarHBondContact CE1-O 3.5Å; Y152-I157 HydrophobicContact CE2-CD1 3.59Å; Y152-I157 HydrophobicContact CE2-CG1 3.91Å; Y152-I157 HydrophobicContact CG-CD1 4.42Å; Y152-I157 HydrophobicContact CG-CG1 4.06Å; I157-D235 HydrophobicContact CB-CB 4.07Å; I157-D235 HydrophobicContact CG2-CB 4.13Å; I157-Y236 HydrophobicContact CD1-CD2 4.45Å; I157-Y236 HydrophobicContact CG2-CD2 3.71Å; I157-Y236 HydrophobicContact CG2-CE2 3.71Å
158	K	88.4	Confident	88.5	Confident	98 Å²	98	30.2 Å²	30.2	43%	0.426	16%	0.161	S	C	.	.	S	Bend	trans	-126	-24.2	-179.6	-54.5	-162.4	-175.7	-135.5	0	112.7	D155 G207 G208 D235	D155-K158 WeakPolarHBondContact OD1-CE 3.49Å; D155-K158 IonicContact OD1-NZ 2.74Å; D155-K158 PolarHBondContact OD1-NZ 2.8Å; D155-K158 IonicContact OD2-NZ 3.81Å; D155-K158 PolarHBondContact OD2-NZ 2.76Å; K158-G207 CarbonylContact O-C 3.5Å; K158-G207 WeakPolarHBondContact O-CA 3.18Å; K158-G208 PolarHBondContact O-N 2.84Å; K158-D235 PolarHBondContact N-OD2 3Å
159	H	92.4	Very high	88.3	Confident	34 Å²	34	31 Å²	31	16%	0.157	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	118.3	-179.6	-52.6	-76.1	0	0	0	113.5	V203 Q204 F232 W234 D235 Y236	H159-V203 PolarHBondContact CE1-O 2.97Å; H159-V203 VanDerWaalsContact CE1-O 3.28Å; H159-V203 PolarHBondContact ND1-O 2.88Å; H159-V203 VanDerWaalsContact ND1-O 3.15Å; H159-Q204 PolarHBondContact CE1-O 2.75Å; H159-F232 HydrophobicContact CB-CE1 4.35Å; H159-F232 HydrophobicContact CB-CZ 4.08Å; H159-F232 AromaticContact CD2-CZ 3.91Å; H159-F232 AromaticContact CG-CZ 3.68Å; H159-F232 AromaticContact ND1-CZ 3.85Å; H159-W234 HydrophobicContact CB-CE3 3.83Å; H159-W234 HydrophobicContact CB-CZ3 4.01Å; H159-D235 PolarHBondContact N-OD2 3.14Å; H159-D235 WeakPolarHBondContact O-CB 3.45Å; H159-D235 PolarHBondContact O-N 2.87Å; H159-Y236 PolarHBondContact O-N 2.96Å
160	T	94.6	Very high	88	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	133.7	177.4	-46.9	0	0	0	0	111.8	L148 Y152 G208 V209 I210 Y236 I238	L148-T160 HydrophobicContact CD1-CG2 4.1Å; L148-T160 HydrophobicContact CD2-CG2 3.79Å; Y152-T160 WeakPolarHBondContact CE2-OG1 3.13Å; Y152-T160 PolarHBondContact OH-N 2.83Å; Y152-T160 PolarHBondContact OH-OG1 3.5Å; T160-G208 PolarHBondContact N-O 2.93Å; T160-G208 VanDerWaalsContact N-O 3.14Å; T160-V209 HydrophobicContact CG2-CG1 4.48Å; T160-I210 PolarHBondContact O-N 2.82Å; T160-Y236 WeakPolarHBondContact CA-O 3.39Å; T160-I238 HydrophobicContact CG2-CD1 4.17Å; T160-I238 HydrophobicContact CG2-CG1 4.46Å
161	L	94.6	Very high	87.9	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	114.3	170.6	-177.9	63.8	0	0	0	110.3	V163 I210 T212 L217 W234 Y236 M237 I238 I259	L161-V163 HydrophobicContact CG-CG2 4.32Å; L161-I210 HydrophobicContact CD1-CB 4.19Å; L161-I210 HydrophobicContact CD1-CG2 4.14Å; L161-T212 HydrophobicContact CD1-CG2 3.79Å; L161-L217 HydrophobicContact CD2-CD1 4.49Å; L161-W234 HydrophobicContact CB-CD2 3.75Å; L161-W234 HydrophobicContact CB-CE3 3.74Å; L161-W234 HydrophobicContact CB-CG 4.19Å; L161-W234 HydrophobicContact CB-CZ3 4.21Å; L161-Y236 PolarHBondContact N-O 2.94Å; L161-M237 HydrophobicContact CD2-CE 4.33Å; L161-M237 HydrophobicContact CD2-CG 4.38Å; L161-M237 CarbonylContact O-C 3.57Å; L161-M237 WeakPolarHBondContact O-CA 3.42Å; L161-I238 PolarHBondContact O-N 2.55Å; L161-I259 HydrophobicContact CD2-CD1 4.31Å; L161-I259 HydrophobicContact CD2-CG2 4.21Å
162	L	95	Very high	87.9	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	125.6	169.6	-80	160.5	0	0	0	109.9	M164 W172 F176 V209 I210 I211 T212 I238	L162-M164 HydrophobicContact CB-CE 4.07Å; L162-W172 HydrophobicContact CD1-CE3 4.11Å; L162-W172 HydrophobicContact CD1-CZ3 3.96Å; L162-W172 HydrophobicContact CD2-CH2 3.81Å; L162-W172 HydrophobicContact CD2-CZ2 4.45Å; L162-W172 HydrophobicContact CD2-CZ3 3.85Å; L162-F176 HydrophobicContact CD1-CE2 3.7Å; L162-F176 HydrophobicContact CD1-CZ 3.55Å; L162-V209 HydrophobicContact CD1-CG1 3.51Å; L162-V209 HydrophobicContact CG-CG1 4.27Å; L162-I210 PolarHBondContact N-O 2.86Å; L162-I211 HydrophobicContact CB-CG1 4.32Å; L162-I211 HydrophobicContact CD1-CG1 4.27Å; L162-I211 CarbonylContact O-C 3.52Å; L162-T212 PolarHBondContact O-N 3.17Å; L162-I238 WeakPolarHBondContact CA-O 3.2Å; L162-I238 HydrophobicContact CD2-CB 3.69Å; L162-I238 HydrophobicContact CD2-CD1 4.49Å; L162-I238 HydrophobicContact CD2-CG2 3.74Å; L162-I238 HydrophobicContact CG-CB 4.49Å
163	V	93.6	Very high	87.9	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.1	171.6	-168.4	0	0	0	0	108.8	L161 T212 Y214 L217 M237 I238 L239 D240	L161-V163 HydrophobicContact CG-CG2 4.32Å; V163-T212 WeakPolarHBondContact CA-O 3.46Å; V163-T212 HydrophobicContact CB-CG2 4.3Å; V163-T212 HydrophobicContact CG1-CG2 4.29Å; V163-T212 HydrophobicContact CG2-CG2 3.83Å; V163-Y214 HydrophobicContact CB-CE1 4.49Å; V163-Y214 HydrophobicContact CG1-CD1 3.61Å; V163-Y214 HydrophobicContact CG1-CD2 4.29Å; V163-Y214 HydrophobicContact CG1-CE1 3.77Å; V163-Y214 HydrophobicContact CG1-CE2 4.43Å; V163-Y214 HydrophobicContact CG1-CG 3.9Å; V163-L217 HydrophobicContact CG1-CD2 4.28Å; V163-L217 HydrophobicContact CG2-CD1 3.88Å; V163-L217 HydrophobicContact CG2-CD2 4.34Å; V163-M237 HydrophobicContact CG2-CE 4.37Å; V163-I238 PolarHBondContact N-O 2.82Å; V163-L239 HydrophobicContact CB-CD2 3.56Å; V163-L239 HydrophobicContact CG1-CD2 4.42Å; V163-L239 HydrophobicContact CG2-CD2 3.48Å; V163-L239 VanDerWaalsContact CG2-CD2 3.48Å; V163-D240 PolarHBondContact O-N 3.24Å
164	M	91.1	Very high	88	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	166.7	-177.5	60.6	-172.1	63.5	0	0	112.2	L162 L168 I169 W172 I211 T212 T213 D240	L162-M164 HydrophobicContact CB-CE 4.07Å; M164-L168 HydrophobicContact SD-CB 4.29Å; M164-I169 HydrophobicContact CG-CG1 4.27Å; M164-I169 HydrophobicContact SD-CG1 4.1Å; M164-W172 HydrophobicContact CE-CB 3.77Å; M164-W172 VanDerWaalsContact CE-CD1 3.46Å; M164-W172 HydrophobicContact CE-CD2 3.54Å; M164-W172 HydrophobicContact CE-CE3 4.23Å; M164-W172 HydrophobicContact CE-CG 3.33Å; M164-W172 HydrophobicContact SD-CB 3.88Å; M164-W172 HydrophobicContact SD-CD2 4.48Å; M164-W172 HydrophobicContact SD-CG 3.69Å; M164-I211 HydrophobicContact CE-CB 4.45Å; M164-I211 HydrophobicContact CE-CD1 4.49Å; M164-I211 HydrophobicContact CE-CG1 4.13Å; M164-I211 HydrophobicContact CE-CG2 3.67Å; M164-I211 HydrophobicContact CG-CG2 4.23Å; M164-I211 HydrophobicContact SD-CG2 3.59Å; M164-I211 VanDerWaalsContact SD-CG2 3.59Å; M164-T212 PolarHBondContact N-O 2.97Å; M164-T213 VanDerWaalsContact O-CA 3.29Å; M164-T213 WeakPolarHBondContact O-CA 3.47Å; M164-D240 HydrophobicContact CB-CB 4.01Å
165	P	87.2	Confident	88.3	Confident	30 Å²	30	36 Å²	36	20%	0.195	19%	0.19	C	C	.	.			trans	-59.3	141.2	164.3	-21	32.9	0	0	0	111.3	S167 L168 E241	P165-S167 PolarHBondContact O-N 3.41Å; P165-L168 HydrophobicContact CB-CG 4.28Å; P165-L168 HydrophobicContact CG-CD1 4.15Å; P165-L168 HydrophobicContact CG-CG 4.35Å; P165-L168 PolarHBondContact O-N 3.01Å; P165-E241 HydrophobicContact CG-CB 4.11Å; P165-E241 HydrophobicContact CG-CG 4.44Å
166	T	83.4	Confident	88.6	Confident	52 Å²	52	31.6 Å²	31.6	32%	0.319	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-50.9	-36.4	-176.6	-46.9	0	0	0	0	113.7	L168 I169 T213	T166-L168 VanDerWaalsContact C-N 3.28Å; T166-L168 PolarHBondContact O-N 2.83Å; T166-I169 HydrophobicContact CG2-CD1 4.39Å; T166-I169 WeakPolarHBondContact O-CG1 3.3Å; T166-I169 PolarHBondContact O-N 2.87Å; T166-T213 HydrophobicContact CG2-CG2 4.17Å
167	S	77.9	Confident	88.8	Confident	39 Å²	39	32.6 Å²	32.6	27%	0.273	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-72	-13.2	-179.5	43.8	0	0	0	0	115.2	P165 V552	P165-S167 PolarHBondContact O-N 3.41Å; S167-V552 WeakPolarHBondContact OG-CG1 3.38Å
168	L	83.7	Confident	88.7	Confident	22 Å²	22	39.4 Å²	39.4	12%	0.115	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-93	-10.1	177.5	-55	-169.1	0	0	0	113.1	M164 P165 T166 T170 N171 W172 D240	M164-L168 HydrophobicContact SD-CB 4.29Å; P165-L168 HydrophobicContact CB-CG 4.28Å; P165-L168 HydrophobicContact CG-CD1 4.15Å; P165-L168 HydrophobicContact CG-CG 4.35Å; P165-L168 PolarHBondContact O-N 3.01Å; T166-L168 VanDerWaalsContact C-N 3.28Å; T166-L168 PolarHBondContact O-N 2.83Å; L168-T170 PolarHBondContact O-N 2.66Å; L168-N171 WeakPolarHBondContact O-CB 3.36Å; L168-N171 PolarHBondContact O-N 3.4Å; L168-N171 VanDerWaalsContact O-N 3.14Å; L168-W172 PolarHBondContact O-N 3.49Å; L168-D240 VanDerWaalsContact CD1-OD2 3.27Å; L168-D240 WeakPolarHBondContact CD1-OD2 3.17Å
169	I	86.7	Confident	88.7	Confident	16 Å²	16	37.1 Å²	37.1	8%	0.082	20%	0.196	C	C	.	.	H	α-helix	trans	-56.5	-49.7	-176.4	-61	171.3	0	0	0	111.5	M164 T166 N171 W172 V173 H189 I211 T213	M164-I169 HydrophobicContact CG-CG1 4.27Å; M164-I169 HydrophobicContact SD-CG1 4.1Å; T166-I169 HydrophobicContact CG2-CD1 4.39Å; T166-I169 WeakPolarHBondContact O-CG1 3.3Å; T166-I169 PolarHBondContact O-N 2.87Å; I169-N171 VanDerWaalsContact C-N 3.26Å; I169-N171 PolarHBondContact O-N 3.11Å; I169-W172 PolarHBondContact O-N 3.07Å; I169-V173 HydrophobicContact CG2-CG2 4.22Å; I169-V173 WeakPolarHBondContact O-CB 3.34Å; I169-V173 WeakPolarHBondContact O-CG2 3.1Å; I169-V173 PolarHBondContact O-N 2.99Å; I169-H189 HydrophobicContact CD1-CB 3.85Å; I169-I211 HydrophobicContact CG1-CG2 4.14Å; I169-I211 HydrophobicContact CG2-CG2 4.19Å; I169-T213 HydrophobicContact CD1-CG2 3.65Å; I169-T213 HydrophobicContact CG1-CG2 4.43Å
170	T	83.7	Confident	88.3	Confident	43 Å²	43	36.1 Å²	36.1	26%	0.264	19%	0.192	S	C	.	.	H	α-helix	trans	-64	-34.7	-178.5	61.6	0	0	0	0	111.7	L168 K174 I524 E528	L168-T170 PolarHBondContact O-N 2.66Å; T170-K174 WeakPolarHBondContact O-CB 3.45Å; T170-K174 WeakPolarHBondContact O-CD 3.42Å; T170-K174 WeakPolarHBondContact O-CG 3.29Å; T170-K174 PolarHBondContact O-N 3.28Å; T170-I524 HydrophobicContact CG2-CG2 3.88Å; T170-E528 PolarHBondContact OG1-OE1 3.01Å
171	N	85.4	Confident	87.7	Confident	60 Å²	60	41.3 Å²	41.3	32%	0.321	23%	0.226	S	C	.	.	H	α-helix	trans	-67.8	-49.9	175.2	-176.2	92.6	0	0	0	111.7	L168 I169 V173 K174 E175	L168-N171 WeakPolarHBondContact O-CB 3.36Å; L168-N171 PolarHBondContact O-N 3.4Å; L168-N171 VanDerWaalsContact O-N 3.14Å; I169-N171 VanDerWaalsContact C-N 3.26Å; I169-N171 PolarHBondContact O-N 3.11Å; N171-V173 PolarHBondContact O-N 2.93Å; N171-K174 PolarHBondContact O-N 2.93Å; N171-E175 PolarHBondContact ND2-OE1 2.98Å; N171-E175 PolarHBondContact O-N 3.25Å
172	W	90.3	Very high	87	Confident	1 Å²	1	44.8 Å²	44.8	0%	0.004	26%	0.262	C	S	.	.	H	α-helix	trans	-61.7	-41.6	178.1	-86.5	88.8	0	0	0	112.1	T141 I144 I145 L162 M164 L168 I169 E175 F176 I211 D240 L267	T141-W172 HydrophobicContact CG2-CD2 3.63Å; T141-W172 HydrophobicContact CG2-CE3 3.64Å; T141-W172 HydrophobicContact CG2-CG 4.29Å; T141-W172 HydrophobicContact CG2-CH2 3.99Å; T141-W172 HydrophobicContact CG2-CZ2 3.96Å; T141-W172 HydrophobicContact CG2-CZ3 3.83Å; I144-W172 HydrophobicContact CB-CH2 4.2Å; I144-W172 HydrophobicContact CG2-CH2 3.96Å; I144-W172 HydrophobicContact CG2-CZ3 4.13Å; I145-W172 HydrophobicContact CG1-CZ3 4.39Å; L162-W172 HydrophobicContact CD1-CE3 4.11Å; L162-W172 HydrophobicContact CD1-CZ3 3.96Å; L162-W172 HydrophobicContact CD2-CH2 3.81Å; L162-W172 HydrophobicContact CD2-CZ2 4.45Å; L162-W172 HydrophobicContact CD2-CZ3 3.85Å; M164-W172 HydrophobicContact CE-CB 3.77Å; M164-W172 VanDerWaalsContact CE-CD1 3.46Å; M164-W172 HydrophobicContact CE-CD2 3.54Å; M164-W172 HydrophobicContact CE-CE3 4.23Å; M164-W172 HydrophobicContact CE-CG 3.33Å; M164-W172 HydrophobicContact SD-CB 3.88Å; M164-W172 HydrophobicContact SD-CD2 4.48Å; M164-W172 HydrophobicContact SD-CG 3.69Å; L168-W172 PolarHBondContact O-N 3.49Å; I169-W172 PolarHBondContact O-N 3.07Å; W172-E175 PolarHBondContact O-N 3.44Å; W172-F176 HydrophobicContact CE3-CD2 4.47Å; W172-F176 AromaticContact CE3-CE2 3.65Å; W172-F176 HydrophobicContact CE3-CE2 3.65Å; W172-F176 AromaticContact CE3-CZ 3.95Å; W172-F176 HydrophobicContact CE3-CZ 3.95Å; W172-F176 HydrophobicContact CZ3-CE2 4.28Å; W172-F176 HydrophobicContact CZ3-CZ 4.11Å; W172-F176 WeakPolarHBondContact O-CD2 3.23Å; W172-F176 PolarHBondContact O-N 3.49Å; W172-I211 HydrophobicContact CB-CD1 4.25Å; W172-D240 HydrophobicContact CZ2-CB 4.03Å; W172-D240 PolarHBondContact NE1-OD2 3.47Å; W172-L267 HydrophobicContact CH2-CD1 3.94Å; W172-L267 HydrophobicContact CZ2-CD1 3.87Å
173	V	89	Confident	86.6	Confident	54 Å²	54	46.3 Å²	46.3	33%	0.327	27%	0.27	S	S	.	.	H	α-helix	trans	-62.5	-45.3	175.6	172.2	0	0	0	0	111.1	I169 N171 E175 F176 S177 I211	I169-V173 HydrophobicContact CG2-CG2 4.22Å; I169-V173 WeakPolarHBondContact O-CB 3.34Å; I169-V173 WeakPolarHBondContact O-CG2 3.1Å; I169-V173 PolarHBondContact O-N 2.99Å; N171-V173 PolarHBondContact O-N 2.93Å; V173-E175 PolarHBondContact O-N 3.43Å; V173-F176 PolarHBondContact O-N 3.03Å; V173-S177 PolarHBondContact O-N 3.1Å; V173-S177 PolarHBondContact O-OG 2.86Å; V173-I211 HydrophobicContact CG2-CD1 3.83Å
174	K	87.1	Confident	86.3	Confident	110 Å²	110	53 Å²	53	48%	0.478	30%	0.295	S	S	.	.	H	α-helix	trans	-62.4	-39.4	175	-73.5	167.4	-176.8	175	0	112.5	T170 N171 K178 E528	T170-K174 WeakPolarHBondContact O-CB 3.45Å; T170-K174 WeakPolarHBondContact O-CD 3.42Å; T170-K174 WeakPolarHBondContact O-CG 3.29Å; T170-K174 PolarHBondContact O-N 3.28Å; N171-K174 PolarHBondContact O-N 2.93Å; K174-K178 WeakPolarHBondContact O-CB 3.4Å; K174-K178 PolarHBondContact O-N 3.13Å; K174-E528 IonicContact NZ-OE1 3.68Å; K174-E528 PolarHBondContact NZ-OE1 3.48Å; K174-E528 IonicContact NZ-OE2 3.34Å; K174-E528 PolarHBondContact NZ-OE2 3.33Å
175	E	90.1	Very high	86.3	Confident	35 Å²	35	54.1 Å²	54.1	16%	0.164	30%	0.302	C	S	.	.	H	α-helix	trans	-67.1	-41.6	175.7	-75.8	-165.6	-120.4	0	0	111.8	T141 I145 N171 W172 V173 K178 W179	T141-E175 WeakPolarHBondContact CB-OE2 3.32Å; T141-E175 HydrophobicContact CG2-CB 4.27Å; T141-E175 VanDerWaalsContact CG2-CD 3.47Å; T141-E175 HydrophobicContact CG2-CG 4.43Å; T141-E175 WeakPolarHBondContact CG2-OE1 3.46Å; T141-E175 WeakPolarHBondContact CG2-OE2 3.31Å; I145-E175 HydrophobicContact CD1-CB 3.66Å; N171-E175 PolarHBondContact ND2-OE1 2.98Å; N171-E175 PolarHBondContact O-N 3.25Å; W172-E175 PolarHBondContact O-N 3.44Å; V173-E175 PolarHBondContact O-N 3.43Å; E175-K178 PolarHBondContact O-N 3.21Å; E175-W179 WeakPolarHBondContact O-CB 3.31Å; E175-W179 PolarHBondContact O-N 3.12Å
176	F	91.1	Very high	86.4	Confident	5 Å²	5	56.8 Å²	56.8	2%	0.022	31%	0.31	C	S	.	.	H	α-helix	trans	-61.1	-46.7	173.1	-80.2	-60.9	0	0	0	112.6	I145 L162 W172 V173 K178 W179 T180 M183 V185 V209 I211	I145-F176 HydrophobicContact CB-CD1 4.5Å; I145-F176 HydrophobicContact CB-CE1 4.25Å; I145-F176 HydrophobicContact CD1-CD1 4.05Å; I145-F176 HydrophobicContact CD1-CE1 4.21Å; I145-F176 HydrophobicContact CD1-CG 4.35Å; I145-F176 HydrophobicContact CG1-CD1 3.88Å; I145-F176 HydrophobicContact CG1-CE1 3.59Å; I145-F176 HydrophobicContact CG1-CZ 4.07Å; I145-F176 HydrophobicContact CG2-CD1 3.94Å; I145-F176 HydrophobicContact CG2-CE1 4.06Å; L162-F176 HydrophobicContact CD1-CE2 3.7Å; L162-F176 HydrophobicContact CD1-CZ 3.55Å; W172-F176 HydrophobicContact CE3-CD2 4.47Å; W172-F176 AromaticContact CE3-CE2 3.65Å; W172-F176 HydrophobicContact CE3-CE2 3.65Å; W172-F176 AromaticContact CE3-CZ 3.95Å; W172-F176 HydrophobicContact CE3-CZ 3.95Å; W172-F176 HydrophobicContact CZ3-CE2 4.28Å; W172-F176 HydrophobicContact CZ3-CZ 4.11Å; W172-F176 WeakPolarHBondContact O-CD2 3.23Å; W172-F176 PolarHBondContact O-N 3.49Å; V173-F176 PolarHBondContact O-N 3.03Å; F176-K178 PolarHBondContact O-N 3.08Å; F176-W179 PolarHBondContact O-N 2.72Å; F176-T180 CarbonylContact O-C 3.57Å; F176-T180 VanDerWaalsContact O-C 3.3Å; F176-T180 PolarHBondContact O-N 3.22Å; F176-T180 PolarHBondContact O-OG1 3Å; F176-M183 HydrophobicContact CD1-CE 3.55Å; F176-M183 HydrophobicContact CE1-CE 3.37Å; F176-V185 HydrophobicContact CB-CG2 3.97Å; F176-V185 HydrophobicContact CD1-CG2 3.93Å; F176-V185 HydrophobicContact CD2-CG1 3.96Å; F176-V185 HydrophobicContact CD2-CG2 3.96Å; F176-V185 HydrophobicContact CE1-CG2 4.4Å; F176-V185 HydrophobicContact CE2-CG1 4.33Å; F176-V185 HydrophobicContact CE2-CG2 4.43Å; F176-V185 HydrophobicContact CG-CG1 4.49Å; F176-V185 HydrophobicContact CG-CG2 3.71Å; F176-V209 HydrophobicContact CZ-CG1 4.3Å; F176-I211 HydrophobicContact CD2-CD1 4.04Å; F176-I211 HydrophobicContact CE2-CD1 3.94Å; F176-I211 HydrophobicContact CE2-CG1 4.44Å
177	S	89.6	Confident	86.6	Confident	83 Å²	83	57.6 Å²	57.6	58%	0.58	31%	0.313	S	S	*	.	H	α-helix	trans	-62.3	-27.5	176.3	-63.8	0	0	0	0	113.3	V173	V173-S177 PolarHBondContact O-N 3.1Å; V173-S177 PolarHBondContact O-OG 2.86Å
178	K	88.6	Confident	86.9	Confident	145 Å²	145	55.8 Å²	55.8	63%	0.63	30%	0.3	S	S	*	.	H	α-helix	trans	-81.4	-41.3	177.3	179.1	178	174.8	176.8	0	113.4	K174 E175 F176	K174-K178 WeakPolarHBondContact O-CB 3.4Å; K174-K178 PolarHBondContact O-N 3.13Å; E175-K178 PolarHBondContact O-N 3.21Å; F176-K178 PolarHBondContact O-N 3.08Å
179	W	86.7	Confident	86.6	Confident	51 Å²	51	57.8 Å²	57.8	19%	0.193	31%	0.308	C	S	.	.	H	α-helix	trans	-99.6	-28.9	-168.5	-65.5	119.5	0	0	0	114.1	L104 R107 I142 I145 E175 F176	L104-W179 HydrophobicContact CD1-CB 4.4Å; L104-W179 HydrophobicContact CD1-CE3 3.98Å; R107-W179 HydrophobicContact CB-CH2 4.43Å; R107-W179 HydrophobicContact CB-CZ3 3.82Å; R107-W179 HydrophobicContact CG-CZ3 4.44Å; I142-W179 HydrophobicContact CD1-CD2 4Å; I142-W179 HydrophobicContact CD1-CE3 4.14Å; I142-W179 HydrophobicContact CD1-CH2 3.61Å; I142-W179 HydrophobicContact CD1-CZ2 3.43Å; I142-W179 VanDerWaalsContact CD1-CZ2 3.43Å; I142-W179 HydrophobicContact CD1-CZ3 3.95Å; I142-W179 HydrophobicContact CG1-CD2 4.12Å; I142-W179 HydrophobicContact CG1-CG 4.43Å; I142-W179 HydrophobicContact CG1-CZ2 4.25Å; I145-W179 HydrophobicContact CG2-CB 3.94Å; E175-W179 WeakPolarHBondContact O-CB 3.31Å; E175-W179 PolarHBondContact O-N 3.12Å; F176-W179 PolarHBondContact O-N 2.72Å
180	T	85.4	Confident	86	Confident	12 Å²	12	58.6 Å²	58.6	7%	0.074	32%	0.321	C	S	.	.			trans	-147.7	65.8	-174.6	53	0	0	0	0	110.9	L104 I145 F176 G182 M183	L104-T180 HydrophobicContact CD2-CG2 4.26Å; I145-T180 HydrophobicContact CG2-CG2 3.7Å; F176-T180 CarbonylContact O-C 3.57Å; F176-T180 VanDerWaalsContact O-C 3.3Å; F176-T180 PolarHBondContact O-N 3.22Å; F176-T180 PolarHBondContact O-OG1 3Å; T180-G182 PolarHBondContact O-N 2.63Å; T180-M183 PolarHBondContact O-N 2.74Å; T180-M183 WeakPolarHBondContact OG1-CE 3.44Å
181	P	80.8	Confident	85.3	Confident	110 Å²	110	61.6 Å²	61.6	71%	0.714	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.2	-172.2	23.7	-34.2	0	0	0	114.5	M183	P181-M183 VanDerWaalsContact C-N 3.33Å; P181-M183 PolarHBondContact O-N 2.85Å
182	G	80.4	Confident	85.1	Confident	73 Å²	73	61.1 Å²	61.1	75%	0.753	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-16.5	175.1	0	0	0	0	0	115.1	T180	T180-G182 PolarHBondContact O-N 2.63Å
183	M	85.8	Confident	84.7	Confident	31 Å²	31	67.2 Å²	67.2	15%	0.153	38%	0.378	C	S	.	.	S	Bend	trans	-77.4	134.2	-172.5	-175.1	161.3	49.2	0	0	112.7	L148 Y152 F176 T180 P181 V185 V209	L148-M183 HydrophobicContact CB-CE 4.43Å; Y152-M183 HydrophobicContact CD2-SD 3.57Å; Y152-M183 VanDerWaalsContact CD2-SD 3.57Å; Y152-M183 HydrophobicContact CE2-SD 3.91Å; Y152-M183 HydrophobicContact CG-SD 4.42Å; F176-M183 HydrophobicContact CD1-CE 3.55Å; F176-M183 HydrophobicContact CE1-CE 3.37Å; T180-M183 PolarHBondContact O-N 2.74Å; T180-M183 WeakPolarHBondContact OG1-CE 3.44Å; P181-M183 VanDerWaalsContact C-N 3.33Å; P181-M183 PolarHBondContact O-N 2.85Å; M183-V185 HydrophobicContact CG-CG2 4.37Å; M183-V185 PolarHBondContact O-N 2.91Å; M183-V209 HydrophobicContact CE-CG2 4.4Å; M183-V209 HydrophobicContact CG-CG2 4.28Å; M183-V209 HydrophobicContact SD-CG2 3.76Å
184	R	88.6	Confident	84.3	Confident	140 Å²	140	67.4 Å²	67.4	53%	0.528	39%	0.386	S	S	.	.			trans	-75.6	83.4	-177.6	-65.2	-174.7	-63.5	-77.6	9.4	112.2	R206 G207 G208 V209	R184-R206 PolarHBondContact NE-O 3.3Å; R184-R206 PolarHBondContact NH2-O 2.78Å; R184-G207 PolarHBondContact NE-O 2.97Å; R184-G208 WeakPolarHBondContact O-CA 3.16Å; R184-V209 PolarHBondContact O-N 3.46Å
185	V	90.1	Very high	84.2	Confident	25 Å²	25	67.6 Å²	67.6	15%	0.152	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	134.3	175.1	-173.2	0	0	0	0	111.5	F176 M183 V209 I211	F176-V185 HydrophobicContact CB-CG2 3.97Å; F176-V185 HydrophobicContact CD1-CG2 3.93Å; F176-V185 HydrophobicContact CD2-CG1 3.96Å; F176-V185 HydrophobicContact CD2-CG2 3.96Å; F176-V185 HydrophobicContact CE1-CG2 4.4Å; F176-V185 HydrophobicContact CE2-CG1 4.33Å; F176-V185 HydrophobicContact CE2-CG2 4.43Å; F176-V185 HydrophobicContact CG-CG1 4.49Å; F176-V185 HydrophobicContact CG-CG2 3.71Å; M183-V185 HydrophobicContact CG-CG2 4.37Å; M183-V185 PolarHBondContact O-N 2.91Å; V185-V209 HydrophobicContact CG2-CB 4.29Å; V185-I211 HydrophobicContact CG1-CD1 3.65Å; V185-I211 HydrophobicContact CG1-CG1 4.17Å
186	K	89.5	Confident	84	Confident	86 Å²	86	67.3 Å²	67.3	37%	0.374	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	146.4	169.8	-75.1	-65.8	127.9	-134.6	0	111.7	V203 V209 I210 I211	K186-V203 HydrophobicContact CB-CG2 4.04Å; K186-V203 HydrophobicContact CG-CG2 4.13Å; K186-V209 PolarHBondContact N-O 2.97Å; K186-I210 CarbonylContact O-C 3.54Å; K186-I210 VanDerWaalsContact O-CA 3.29Å; K186-I210 WeakPolarHBondContact O-CA 3.44Å; K186-I211 PolarHBondContact O-N 3.31Å
187	D	88.5	Confident	83.7	Confident	68 Å²	68	69.2 Å²	69.2	36%	0.364	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	142	174.4	55.1	-44.1	0	0	0	111.8	I211	D187-I211 CarbonylContact C-O 3.49Å
188	F	84	Confident	83.5	Confident	1 Å²	1	73.5 Å²	73.5	0%	0.004	40%	0.401	C	S	.	.			trans	-106.5	36.5	171.8	-167.5	-101.4	0	0	0	110.2	R196 L200 I210 I211 M216 N220 L224	F188-R196 HydrophobicContact CD2-CB 3.88Å; F188-R196 HydrophobicContact CD2-CG 4.46Å; F188-R196 HydrophobicContact CE2-CB 3.8Å; F188-R196 HydrophobicContact CZ-CB 4.41Å; F188-R196 VanDerWaalsContact O-CD 3.27Å; F188-R196 WeakPolarHBondContact O-CD 3.24Å; F188-L200 HydrophobicContact CD2-CB 4.07Å; F188-L200 HydrophobicContact CD2-CD2 4.44Å; F188-L200 HydrophobicContact CE2-CB 4.02Å; F188-L200 HydrophobicContact CE2-CD2 3.75Å; F188-L200 HydrophobicContact CE2-CG 4.47Å; F188-L200 HydrophobicContact CZ-CD2 4.37Å; F188-I210 HydrophobicContact CB-CG2 3.76Å; F188-I211 PolarHBondContact N-O 3.03Å; F188-M216 HydrophobicContact CD1-CB 4.37Å; F188-N220 HydrophobicContact CE1-CB 3.73Å; F188-N220 HydrophobicContact CZ-CB 4.08Å; F188-L224 HydrophobicContact CD1-CD2 4.36Å; F188-L224 HydrophobicContact CE1-CD2 4.35Å; F188-L224 HydrophobicContact CE2-CD2 4.5Å; F188-L224 HydrophobicContact CG-CD2 4.46Å; F188-L224 HydrophobicContact CZ-CD2 4.41Å
189	H	78.2	Confident	83.3	Confident	64 Å²	64	67.6 Å²	67.6	30%	0.296	38%	0.378	S	S	.	.			trans	-116.1	163	176.8	-159.2	67.8	0	0	0	109.9	I169	I169-H189 HydrophobicContact CD1-CB 3.85Å
190	G	72.3	Confident	83.3	Confident	34 Å²	34	65.5 Å²	65.5	35%	0.351	37%	0.37	S	S	.	.	S	Bend	trans	110.6	157.2	179.9	0	0	0	0	0	115.8	S192 R196	G190-S192 PolarHBondContact O-N 3.31Å; G190-R196 PolarHBondContact O-NE 2.96Å
191	A	70.9	Confident	83.4	Confident	106 Å²	106	68 Å²	68	88%	0.876	38%	0.382	S	S	*	.	S	Bend	trans	-65.7	-39.7	-171.6	0	0	0	0	0	113.1	K193	A191-K193 PolarHBondContact O-N 3.5Å; A191-K193 VanDerWaalsContact O-N 3.09Å
192	S	80.8	Confident	83.6	Confident	49 Å²	49	68.6 Å²	68.6	34%	0.343	37%	0.373	S	S	.	.			trans	-71.7	103.9	-176.8	-178.4	0	0	0	0	112.1	G190 A194 E195 R196	G190-S192 PolarHBondContact O-N 3.31Å; S192-A194 VanDerWaalsContact C-N 3.26Å; S192-A194 PolarHBondContact O-N 3.25Å; S192-E195 PolarHBondContact O-N 3.43Å; S192-E195 WeakPolarHBondContact OG-CB 3.46Å; S192-E195 PolarHBondContact OG-N 2.92Å; S192-R196 PolarHBondContact O-N 3.43Å; S192-R196 VanDerWaalsContact O-N 3.11Å
193	K	82	Confident	83.9	Confident	129 Å²	129	65.3 Å²	65.3	56%	0.561	34%	0.338	S	S	*	.	H	α-helix	trans	-57.6	-40.1	172.4	-176.1	179.1	177.5	-178.9	0	111.7	A191 E195 R196 T197	A191-K193 PolarHBondContact O-N 3.5Å; A191-K193 VanDerWaalsContact O-N 3.09Å; K193-E195 VanDerWaalsContact C-N 3.26Å; K193-E195 PolarHBondContact O-N 3.05Å; K193-R196 PolarHBondContact O-N 3.2Å; K193-T197 PolarHBondContact O-N 3.27Å; K193-T197 PolarHBondContact O-OG1 2.77Å
194	A	81	Confident	83.9	Confident	59 Å²	59	64.5 Å²	64.5	49%	0.488	33%	0.334	S	S	.	.	H	α-helix	trans	-70.2	-20.9	-179	0	0	0	0	0	113.5	S192 R198	S192-A194 VanDerWaalsContact C-N 3.26Å; S192-A194 PolarHBondContact O-N 3.25Å; A194-R198 WeakPolarHBondContact O-CG 3.35Å; A194-R198 PolarHBondContact O-NE 3.17Å
195	E	83.3	Confident	83.8	Confident	114 Å²	114	65.1 Å²	65.1	53%	0.533	34%	0.336	S	S	.	.	H	α-helix	trans	-80.8	-50.8	170.9	-177.1	168.2	-153.9	0	0	111	S192 K193 T197 R198 S199	S192-E195 PolarHBondContact O-N 3.43Å; S192-E195 WeakPolarHBondContact OG-CB 3.46Å; S192-E195 PolarHBondContact OG-N 2.92Å; K193-E195 VanDerWaalsContact C-N 3.26Å; K193-E195 PolarHBondContact O-N 3.05Å; E195-T197 VanDerWaalsContact C-N 3.29Å; E195-T197 PolarHBondContact O-N 2.97Å; E195-R198 CarbonylContact O-C 3.6Å; E195-R198 WeakPolarHBondContact O-CA 3.39Å; E195-R198 PolarHBondContact O-N 3.4Å; E195-S199 PolarHBondContact O-N 3.41Å
196	R	85.8	Confident	83.5	Confident	29 Å²	29	72.8 Å²	72.8	11%	0.109	36%	0.363	C	S	.	.	H	α-helix	trans	-53.1	-43.3	175.8	-74.3	-169.7	-77	138.7	-8.9	112.8	F188 G190 S192 K193 S199 L200	F188-R196 HydrophobicContact CD2-CB 3.88Å; F188-R196 HydrophobicContact CD2-CG 4.46Å; F188-R196 HydrophobicContact CE2-CB 3.8Å; F188-R196 HydrophobicContact CZ-CB 4.41Å; F188-R196 VanDerWaalsContact O-CD 3.27Å; F188-R196 WeakPolarHBondContact O-CD 3.24Å; G190-R196 PolarHBondContact O-NE 2.96Å; S192-R196 PolarHBondContact O-N 3.43Å; S192-R196 VanDerWaalsContact O-N 3.11Å; K193-R196 PolarHBondContact O-N 3.2Å; R196-S199 PolarHBondContact O-N 3.36Å; R196-L200 VanDerWaalsContact O-CB 3.29Å; R196-L200 WeakPolarHBondContact O-CB 3.49Å; R196-L200 PolarHBondContact O-N 2.94Å
197	T	85.3	Confident	83.3	Confident	44 Å²	44	69 Å²	69	27%	0.27	35%	0.348	S	S	.	.	H	α-helix	trans	-64.8	-39.7	174.3	-58.2	0	0	0	0	112.4	K193 E195 L200 E201	K193-T197 PolarHBondContact O-N 3.27Å; K193-T197 PolarHBondContact O-OG1 2.77Å; E195-T197 VanDerWaalsContact C-N 3.29Å; E195-T197 PolarHBondContact O-N 2.97Å; T197-L200 PolarHBondContact O-N 2.89Å; T197-E201 HydrophobicContact CG2-CG 4.42Å; T197-E201 WeakPolarHBondContact O-CB 3.26Å; T197-E201 WeakPolarHBondContact O-CG 3.45Å; T197-E201 PolarHBondContact O-N 2.95Å
198	R	85.5	Confident	83.3	Confident	173 Å²	173	65.8 Å²	65.8	65%	0.653	33%	0.331	S	S	*	.	H	α-helix	trans	-67.6	-38.8	176.6	-80.4	-178.3	-73.8	175.5	0.8	112.7	A194 E195 K202	A194-R198 WeakPolarHBondContact O-CG 3.35Å; A194-R198 PolarHBondContact O-NE 3.17Å; E195-R198 CarbonylContact O-C 3.6Å; E195-R198 WeakPolarHBondContact O-CA 3.39Å; E195-R198 PolarHBondContact O-N 3.4Å; R198-K202 VanDerWaalsContact O-CB 3.29Å; R198-K202 WeakPolarHBondContact O-CB 3.43Å; R198-K202 PolarHBondContact O-N 2.92Å
199	S	85.4	Confident	83.7	Confident	22 Å²	22	65.8 Å²	65.8	15%	0.154	33%	0.331	C	S	.	.	H	α-helix	trans	-63.1	-47.2	173	-73.1	0	0	0	0	111.7	E195 R196 K202 V203	E195-S199 PolarHBondContact O-N 3.41Å; R196-S199 PolarHBondContact O-N 3.36Å; S199-K202 PolarHBondContact O-N 3.14Å; S199-V203 PolarHBondContact O-N 2.92Å
200	L	86.6	Confident	84.5	Confident	6 Å²	6	62.8 Å²	62.8	3%	0.031	32%	0.317	C	S	.	.	H	α-helix	trans	-57.5	-54.2	176	172.5	58.8	0	0	0	111.9	F188 R196 T197 K202 V203 Q204 I210 Q223 L224 W234	F188-L200 HydrophobicContact CD2-CB 4.07Å; F188-L200 HydrophobicContact CD2-CD2 4.44Å; F188-L200 HydrophobicContact CE2-CB 4.02Å; F188-L200 HydrophobicContact CE2-CD2 3.75Å; F188-L200 HydrophobicContact CE2-CG 4.47Å; F188-L200 HydrophobicContact CZ-CD2 4.37Å; R196-L200 VanDerWaalsContact O-CB 3.29Å; R196-L200 WeakPolarHBondContact O-CB 3.49Å; R196-L200 PolarHBondContact O-N 2.94Å; T197-L200 PolarHBondContact O-N 2.89Å; L200-K202 VanDerWaalsContact C-N 3.25Å; L200-K202 PolarHBondContact O-N 3.34Å; L200-V203 PolarHBondContact O-N 3.32Å; L200-Q204 HydrophobicContact CD1-CG 3.94Å; L200-Q204 WeakPolarHBondContact O-CB 3.2Å; L200-Q204 WeakPolarHBondContact O-CG 3.35Å; L200-Q204 PolarHBondContact O-N 3.27Å; L200-I210 HydrophobicContact CB-CD1 4.28Å; L200-I210 HydrophobicContact CD1-CD1 3.41Å; L200-I210 VanDerWaalsContact CD1-CD1 3.41Å; L200-I210 HydrophobicContact CG-CD1 4.45Å; L200-Q223 HydrophobicContact CD2-CB 4.36Å; L200-L224 HydrophobicContact CD1-CD2 3.89Å; L200-L224 HydrophobicContact CD2-CD2 4.18Å; L200-W234 HydrophobicContact CD1-CH2 4.44Å; L200-W234 HydrophobicContact CD1-CZ2 4.32Å
201	E	86.3	Confident	85.5	Confident	66 Å²	66	61.2 Å²	61.2	31%	0.308	30%	0.3	S	S	.	.	H	α-helix	trans	-62.2	-29.9	178.4	-75.4	-176.7	-148.2	0	0	113.5	T197 R205 F227	T197-E201 HydrophobicContact CG2-CG 4.42Å; T197-E201 WeakPolarHBondContact O-CB 3.26Å; T197-E201 WeakPolarHBondContact O-CG 3.45Å; T197-E201 PolarHBondContact O-N 2.95Å; E201-R205 VanDerWaalsContact O-CB 3.26Å; E201-R205 WeakPolarHBondContact O-CB 3.25Å; E201-R205 VanDerWaalsContact O-CG 3.26Å; E201-R205 WeakPolarHBondContact O-CG 3.44Å; E201-R205 PolarHBondContact O-N 3.32Å; E201-R205 VanDerWaalsContact O-N 3.09Å; E201-R205 PolarHBondContact O-NE 2.6Å; E201-R205 IonicContact OE2-CZ 2.96Å; E201-R205 IonicContact OE2-NH2 3.48Å; E201-R205 PolarHBondContact OE2-NH2 2.85Å; E201-F227 HydrophobicContact CG-CE2 4.46Å
202	K	85.7	Confident	86.5	Confident	121 Å²	121	56.1 Å²	56.1	53%	0.526	26%	0.259	S	S	.	.	H	α-helix	trans	-68.9	-41.6	177.8	-172.3	177.4	-178.3	-180	0	111	R198 S199 L200 R205 R206	R198-K202 VanDerWaalsContact O-CB 3.29Å; R198-K202 WeakPolarHBondContact O-CB 3.43Å; R198-K202 PolarHBondContact O-N 2.92Å; S199-K202 PolarHBondContact O-N 3.14Å; L200-K202 VanDerWaalsContact C-N 3.25Å; L200-K202 PolarHBondContact O-N 3.34Å; K202-R205 PolarHBondContact O-N 3.22Å; K202-R206 WeakPolarHBondContact O-CB 3.39Å; K202-R206 PolarHBondContact O-N 2.87Å
203	V	86.8	Confident	87	Confident	4 Å²	4	53.9 Å²	53.9	2%	0.024	24%	0.243	C	C	.	.	H	α-helix	trans	-75.1	-40	177	176.9	0	0	0	0	111.6	H159 K186 S199 L200 R205 R206 G207 G208 I210	H159-V203 PolarHBondContact CE1-O 2.97Å; H159-V203 VanDerWaalsContact CE1-O 3.28Å; H159-V203 PolarHBondContact ND1-O 2.88Å; H159-V203 VanDerWaalsContact ND1-O 3.15Å; K186-V203 HydrophobicContact CB-CG2 4.04Å; K186-V203 HydrophobicContact CG-CG2 4.13Å; S199-V203 PolarHBondContact O-N 2.92Å; L200-V203 PolarHBondContact O-N 3.32Å; V203-R205 PolarHBondContact O-N 3.47Å; V203-R206 PolarHBondContact O-N 3.2Å; V203-G207 VanDerWaalsContact O-CA 3.3Å; V203-G207 WeakPolarHBondContact O-CA 3.48Å; V203-G207 PolarHBondContact O-N 2.85Å; V203-G208 VanDerWaalsContact CG1-C 3.47Å; V203-G208 VanDerWaalsContact CG1-O 3.26Å; V203-G208 WeakPolarHBondContact CG1-O 3.37Å; V203-I210 HydrophobicContact CB-CD1 4.03Å; V203-I210 HydrophobicContact CB-CG1 3.86Å; V203-I210 HydrophobicContact CG1-CD1 4.27Å; V203-I210 HydrophobicContact CG1-CG1 3.74Å; V203-I210 HydrophobicContact CG2-CG1 4.07Å
204	Q	86.1	Confident	87.4	Confident	14 Å²	14	48.6 Å²	48.6	7%	0.065	22%	0.219	C	C	.	.	H	α-helix	trans	-60.9	-26.4	172.5	-71.5	175.7	-45.4	0	0	112.8	H159 L200 S226 F227 F232	H159-Q204 PolarHBondContact CE1-O 2.75Å; L200-Q204 HydrophobicContact CD1-CG 3.94Å; L200-Q204 WeakPolarHBondContact O-CB 3.2Å; L200-Q204 WeakPolarHBondContact O-CG 3.35Å; L200-Q204 PolarHBondContact O-N 3.27Å; Q204-S226 PolarHBondContact NE2-O 3.25Å; Q204-S226 VanDerWaalsContact NE2-O 3.16Å; Q204-F227 HydrophobicContact CB-CD2 3.91Å; Q204-F227 HydrophobicContact CB-CE2 4.06Å; Q204-F227 HydrophobicContact CB-CG 4.39Å; Q204-F227 HydrophobicContact CG-CD2 4.4Å; Q204-F227 VanDerWaalsContact OE1-CD2 3.22Å; Q204-F232 HydrophobicContact CB-CE2 4.01Å; Q204-F232 HydrophobicContact CB-CZ 4.18Å; Q204-F232 HydrophobicContact CG-CD1 4.41Å; Q204-F232 HydrophobicContact CG-CD2 4.28Å; Q204-F232 HydrophobicContact CG-CE1 4.03Å; Q204-F232 HydrophobicContact CG-CE2 3.89Å; Q204-F232 HydrophobicContact CG-CZ 3.76Å
205	R	85.4	Confident	87.8	Confident	154 Å²	154	49 Å²	49	58%	0.581	22%	0.216	S	C	*	.	H	α-helix	trans	-95.3	-25.3	178.6	-74.4	-174.1	-89.7	164.8	-15.5	116.1	E201 K202 V203 F227	E201-R205 VanDerWaalsContact O-CB 3.26Å; E201-R205 WeakPolarHBondContact O-CB 3.25Å; E201-R205 VanDerWaalsContact O-CG 3.26Å; E201-R205 WeakPolarHBondContact O-CG 3.44Å; E201-R205 PolarHBondContact O-N 3.32Å; E201-R205 VanDerWaalsContact O-N 3.09Å; E201-R205 PolarHBondContact O-NE 2.6Å; E201-R205 IonicContact OE2-CZ 2.96Å; E201-R205 IonicContact OE2-NH2 3.48Å; E201-R205 PolarHBondContact OE2-NH2 2.85Å; K202-R205 PolarHBondContact O-N 3.22Å; V203-R205 PolarHBondContact O-N 3.47Å; R205-F227 HydrophobicContact CG-CE2 4.15Å; R205-F227 HydrophobicContact CG-CZ 3.58Å
206	R	83.9	Confident	88	Confident	186 Å²	186	45.4 Å²	45.4	70%	0.702	20%	0.199	S	C	*	.	H	α-helix	trans	-123.8	1.1	-174.6	-64.5	-169.2	176.7	-163.4	-0.8	114.7	R184 K202 V203	R184-R206 PolarHBondContact NE-O 3.3Å; R184-R206 PolarHBondContact NH2-O 2.78Å; K202-R206 WeakPolarHBondContact O-CB 3.39Å; K202-R206 PolarHBondContact O-N 2.87Å; V203-R206 PolarHBondContact O-N 3.2Å
207	G	85.1	Confident	88.1	Confident	6 Å²	6	44 Å²	44	6%	0.062	19%	0.194	C	C	.	.			trans	69.5	161.8	-173	0	0	0	0	0	114.2	K158 R184 V203	K158-G207 CarbonylContact O-C 3.5Å; K158-G207 WeakPolarHBondContact O-CA 3.18Å; R184-G207 PolarHBondContact NE-O 2.97Å; V203-G207 VanDerWaalsContact O-CA 3.3Å; V203-G207 WeakPolarHBondContact O-CA 3.48Å; V203-G207 PolarHBondContact O-N 2.85Å
208	G	89.2	Confident	88.2	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	130.1	-166.8	-176.3	0	0	0	0	0	113.4	Y152 K158 T160 R184 V203	Y152-G208 PolarHBondContact OH-O 3.38Å; Y152-G208 VanDerWaalsContact OH-O 3.06Å; K158-G208 PolarHBondContact O-N 2.84Å; T160-G208 PolarHBondContact N-O 2.93Å; T160-G208 VanDerWaalsContact N-O 3.14Å; R184-G208 WeakPolarHBondContact O-CA 3.16Å; V203-G208 VanDerWaalsContact CG1-C 3.47Å; V203-G208 VanDerWaalsContact CG1-O 3.26Å; V203-G208 WeakPolarHBondContact CG1-O 3.37Å
209	V	92.8	Very high	88.2	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	128.2	-167.6	-176.4	0	0	0	0	110.7	Y152 T160 L162 F176 M183 R184 V185 K186	Y152-V209 HydrophobicContact CE2-CG2 3.84Å; T160-V209 HydrophobicContact CG2-CG1 4.48Å; L162-V209 HydrophobicContact CD1-CG1 3.51Å; L162-V209 HydrophobicContact CG-CG1 4.27Å; F176-V209 HydrophobicContact CZ-CG1 4.3Å; M183-V209 HydrophobicContact CE-CG2 4.4Å; M183-V209 HydrophobicContact CG-CG2 4.28Å; M183-V209 HydrophobicContact SD-CG2 3.76Å; R184-V209 PolarHBondContact O-N 3.46Å; V185-V209 HydrophobicContact CG2-CB 4.29Å; K186-V209 PolarHBondContact N-O 2.97Å
210	I	93.3	Very high	88.3	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	127.4	167.9	-59.3	-160.8	0	0	0	110.6	T160 L161 L162 K186 F188 L200 V203 W234	T160-I210 PolarHBondContact O-N 2.82Å; L161-I210 HydrophobicContact CD1-CB 4.19Å; L161-I210 HydrophobicContact CD1-CG2 4.14Å; L162-I210 PolarHBondContact N-O 2.86Å; K186-I210 CarbonylContact O-C 3.54Å; K186-I210 VanDerWaalsContact O-CA 3.29Å; K186-I210 WeakPolarHBondContact O-CA 3.44Å; F188-I210 HydrophobicContact CB-CG2 3.76Å; L200-I210 HydrophobicContact CB-CD1 4.28Å; L200-I210 HydrophobicContact CD1-CD1 3.41Å; L200-I210 VanDerWaalsContact CD1-CD1 3.41Å; L200-I210 HydrophobicContact CG-CD1 4.45Å; V203-I210 HydrophobicContact CB-CD1 4.03Å; V203-I210 HydrophobicContact CB-CG1 3.86Å; V203-I210 HydrophobicContact CG1-CD1 4.27Å; V203-I210 HydrophobicContact CG1-CG1 3.74Å; V203-I210 HydrophobicContact CG2-CG1 4.07Å; I210-W234 HydrophobicContact CB-CH2 4.35Å; I210-W234 HydrophobicContact CD1-CH2 3.67Å; I210-W234 HydrophobicContact CD1-CZ2 4.5Å; I210-W234 HydrophobicContact CG1-CH2 3.93Å; I210-W234 HydrophobicContact CG1-CZ3 4.3Å
211	I	93.6	Very high	88.1	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	127	167.1	-66	170.7	0	0	0	109.3	L162 M164 I169 W172 V173 F176 V185 K186 D187 F188	L162-I211 HydrophobicContact CB-CG1 4.32Å; L162-I211 HydrophobicContact CD1-CG1 4.27Å; L162-I211 CarbonylContact O-C 3.52Å; M164-I211 HydrophobicContact CE-CB 4.45Å; M164-I211 HydrophobicContact CE-CD1 4.49Å; M164-I211 HydrophobicContact CE-CG1 4.13Å; M164-I211 HydrophobicContact CE-CG2 3.67Å; M164-I211 HydrophobicContact CG-CG2 4.23Å; M164-I211 HydrophobicContact SD-CG2 3.59Å; M164-I211 VanDerWaalsContact SD-CG2 3.59Å; I169-I211 HydrophobicContact CG1-CG2 4.14Å; I169-I211 HydrophobicContact CG2-CG2 4.19Å; W172-I211 HydrophobicContact CB-CD1 4.25Å; V173-I211 HydrophobicContact CG2-CD1 3.83Å; F176-I211 HydrophobicContact CD2-CD1 4.04Å; F176-I211 HydrophobicContact CE2-CD1 3.94Å; F176-I211 HydrophobicContact CE2-CG1 4.44Å; V185-I211 HydrophobicContact CG1-CD1 3.65Å; V185-I211 HydrophobicContact CG1-CG1 4.17Å; K186-I211 PolarHBondContact O-N 3.31Å; D187-I211 CarbonylContact C-O 3.49Å; F188-I211 PolarHBondContact N-O 3.03Å
212	T	92.4	Very high	88.1	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	169	175.7	-166.6	0	0	0	0	111.8	L161 L162 V163 M164 L217	L161-T212 HydrophobicContact CD1-CG2 3.79Å; L162-T212 PolarHBondContact O-N 3.17Å; V163-T212 WeakPolarHBondContact CA-O 3.46Å; V163-T212 HydrophobicContact CB-CG2 4.3Å; V163-T212 HydrophobicContact CG1-CG2 4.29Å; V163-T212 HydrophobicContact CG2-CG2 3.83Å; M164-T212 PolarHBondContact N-O 2.97Å; T212-L217 HydrophobicContact CG2-CD1 4.08Å
213	T	91.9	Very high	88	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	156.2	175.9	69.3	0	0	0	0	112.2	M164 T166 I169 T215 M216 L217	M164-T213 VanDerWaalsContact O-CA 3.29Å; M164-T213 WeakPolarHBondContact O-CA 3.47Å; T166-T213 HydrophobicContact CG2-CG2 4.17Å; I169-T213 HydrophobicContact CD1-CG2 3.65Å; I169-T213 HydrophobicContact CG1-CG2 4.43Å; T213-T215 PolarHBondContact O-N 3.05Å; T213-T215 PolarHBondContact OG1-N 2.88Å; T213-T215 PolarHBondContact OG1-OG1 3.34Å; T213-M216 PolarHBondContact O-N 2.82Å; T213-M216 VanDerWaalsContact O-N 3.14Å; T213-M216 WeakPolarHBondContact OG1-CB 3.3Å; T213-M216 VanDerWaalsContact OG1-CG 3.31Å; T213-M216 WeakPolarHBondContact OG1-CG 3.46Å; T213-M216 PolarHBondContact OG1-N 2.98Å; T213-L217 WeakPolarHBondContact O-CB 3.23Å; T213-L217 PolarHBondContact O-N 2.82Å
214	Y	90.4	Very high	87.9	Confident	18 Å²	18	44.5 Å²	44.5	7%	0.071	20%	0.201	C	C	.	.	H	α-helix	trans	-54	-36.2	170	-70.9	-70.9	0	0	0	113.3	V163 L217 M218 D240 K244 I245 T252	V163-Y214 HydrophobicContact CB-CE1 4.49Å; V163-Y214 HydrophobicContact CG1-CD1 3.61Å; V163-Y214 HydrophobicContact CG1-CD2 4.29Å; V163-Y214 HydrophobicContact CG1-CE1 3.77Å; V163-Y214 HydrophobicContact CG1-CE2 4.43Å; V163-Y214 HydrophobicContact CG1-CG 3.9Å; Y214-L217 WeakPolarHBondContact O-CB 3.28Å; Y214-L217 PolarHBondContact O-N 2.94Å; Y214-M218 PolarHBondContact O-N 3.01Å; Y214-M218 VanDerWaalsContact O-N 3.07Å; Y214-D240 WeakPolarHBondContact CE2-O 3.31Å; Y214-D240 PolarHBondContact OH-O 3.25Å; Y214-K244 HydrophobicContact CD2-CB 4.23Å; Y214-K244 HydrophobicContact CE1-CB 4.42Å; Y214-K244 HydrophobicContact CE2-CB 3.92Å; Y214-K244 HydrophobicContact CE2-CG 4.27Å; Y214-I245 HydrophobicContact CD1-CG2 4.41Å; Y214-I245 HydrophobicContact CE1-CG2 3.81Å; Y214-T252 HydrophobicContact CD1-CG2 3.65Å; Y214-T252 HydrophobicContact CE1-CG2 4.47Å; Y214-T252 HydrophobicContact CG-CG2 4.31Å
215	T	88.1	Confident	87.8	Confident	68 Å²	68	44.5 Å²	44.5	42%	0.417	20%	0.203	S	C	.	.	H	α-helix	trans	-71	-37.7	176.9	49.5	0	0	0	0	113.1	T213 N219	T213-T215 PolarHBondContact O-N 3.05Å; T213-T215 PolarHBondContact OG1-N 2.88Å; T213-T215 PolarHBondContact OG1-OG1 3.34Å; T215-N219 PolarHBondContact O-ND2 3.16Å
216	M	87.9	Confident	87.7	Confident	38 Å²	38	39.4 Å²	39.4	19%	0.187	19%	0.191	C	C	.	.	H	α-helix	trans	-71.2	-35.8	172.2	-68.2	-64.5	155.8	0	0	111.1	F188 T213 M218 N219 N220	F188-M216 HydrophobicContact CD1-CB 4.37Å; T213-M216 PolarHBondContact O-N 2.82Å; T213-M216 VanDerWaalsContact O-N 3.14Å; T213-M216 WeakPolarHBondContact OG1-CB 3.3Å; T213-M216 VanDerWaalsContact OG1-CG 3.31Å; T213-M216 WeakPolarHBondContact OG1-CG 3.46Å; T213-M216 PolarHBondContact OG1-N 2.98Å; M216-M218 PolarHBondContact O-N 3.34Å; M216-N219 PolarHBondContact O-N 3.22Å; M216-N220 WeakPolarHBondContact O-CB 3.3Å; M216-N220 PolarHBondContact O-N 3.08Å
217	L	88.5	Confident	87.4	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-56.5	-51.6	173.9	-154.1	80.2	0	0	0	110.9	L161 V163 T212 T213 Y214 N219 N220 W221 L224 M237 A256 I259	L161-L217 HydrophobicContact CD2-CD1 4.49Å; V163-L217 HydrophobicContact CG1-CD2 4.28Å; V163-L217 HydrophobicContact CG2-CD1 3.88Å; V163-L217 HydrophobicContact CG2-CD2 4.34Å; T212-L217 HydrophobicContact CG2-CD1 4.08Å; T213-L217 WeakPolarHBondContact O-CB 3.23Å; T213-L217 PolarHBondContact O-N 2.82Å; Y214-L217 WeakPolarHBondContact O-CB 3.28Å; Y214-L217 PolarHBondContact O-N 2.94Å; L217-N219 PolarHBondContact O-N 2.86Å; L217-N219 VanDerWaalsContact O-N 3.11Å; L217-N220 PolarHBondContact O-N 3.27Å; L217-W221 VanDerWaalsContact O-CB 3.31Å; L217-W221 WeakPolarHBondContact O-CB 3.49Å; L217-W221 PolarHBondContact O-N 3.22Å; L217-L224 HydrophobicContact CD1-CD1 3.88Å; L217-M237 HydrophobicContact CD2-CE 4.32Å; L217-A256 HydrophobicContact CD2-CB 3.79Å; L217-I259 HydrophobicContact CD1-CD1 3.49Å; L217-I259 VanDerWaalsContact CD1-CD1 3.49Å; L217-I259 HydrophobicContact CG-CD1 4.01Å
218	M	87.1	Confident	86.7	Confident	50 Å²	50	39.9 Å²	39.9	25%	0.246	20%	0.199	C	C	.	.	H	α-helix	trans	-56.6	-28.1	179.1	-80.8	-165.1	-94.6	0	0	114.9	Y214 M216 K251 T252	Y214-M218 PolarHBondContact O-N 3.01Å; Y214-M218 VanDerWaalsContact O-N 3.07Å; M216-M218 PolarHBondContact O-N 3.34Å; M218-K251 HydrophobicContact CB-CD 4.39Å; M218-K251 HydrophobicContact CG-CD 4.44Å; M218-K251 HydrophobicContact CG-CG 4.25Å; M218-K251 WeakPolarHBondContact O-CE 3.46Å; M218-K251 PolarHBondContact O-NZ 3.47Å; M218-K251 HydrophobicContact SD-CB 4.03Å; M218-K251 HydrophobicContact SD-CD 4.12Å; M218-K251 HydrophobicContact SD-CG 4.16Å; M218-T252 HydrophobicContact CG-CG2 4.49Å
219	N	86.6	Confident	85.6	Confident	111 Å²	111	42.1 Å²	42.1	59%	0.594	22%	0.223	S	C	*	.	H	α-helix	trans	-110.2	-16.4	-171.9	-66.2	-25.1	0	0	0	113.6	T215 M216 L217 K251	T215-N219 PolarHBondContact O-ND2 3.16Å; M216-N219 PolarHBondContact O-N 3.22Å; L217-N219 PolarHBondContact O-N 2.86Å; L217-N219 VanDerWaalsContact O-N 3.11Å; N219-K251 PolarHBondContact OD1-NZ 2.8Å
220	N	85.8	Confident	84.8	Confident	17 Å²	17	49.7 Å²	49.7	9%	0.091	26%	0.256	C	S	.	.	H	α-helix	trans	-129.2	8.1	-176.1	-68.2	83.2	0	0	0	114.1	F188 M216 L217 Q222 Q223 L224	F188-N220 HydrophobicContact CE1-CB 3.73Å; F188-N220 HydrophobicContact CZ-CB 4.08Å; M216-N220 WeakPolarHBondContact O-CB 3.3Å; M216-N220 PolarHBondContact O-N 3.08Å; L217-N220 PolarHBondContact O-N 3.27Å; N220-Q222 PolarHBondContact O-N 2.65Å; N220-Q223 PolarHBondContact ND2-NE2 3.12Å; N220-Q223 PolarHBondContact ND2-OE1 3.46Å; N220-Q223 WeakPolarHBondContact O-CB 3.38Å; N220-Q223 PolarHBondContact O-N 3.38Å; N220-L224 PolarHBondContact O-N 2.91Å
221	W	84.1	Confident	84	Confident	83 Å²	83	55.5 Å²	55.5	31%	0.314	28%	0.283	S	S	.	.	H	α-helix	trans	-49	-38.5	-179.2	66.6	-92.6	0	0	0	113.9	L217 Q223 L224 A225 A258 I259	L217-W221 VanDerWaalsContact O-CB 3.31Å; L217-W221 WeakPolarHBondContact O-CB 3.49Å; L217-W221 PolarHBondContact O-N 3.22Å; W221-Q223 PolarHBondContact O-N 3.35Å; W221-L224 CarbonylContact O-C 3.57Å; W221-L224 PolarHBondContact O-N 2.88Å; W221-A225 WeakPolarHBondContact O-CB 3.43Å; W221-A225 PolarHBondContact O-N 3.49Å; W221-A258 HydrophobicContact CD2-CB 4.4Å; W221-A258 HydrophobicContact CE3-CB 3.84Å; W221-A258 HydrophobicContact CH2-CB 4.42Å; W221-A258 HydrophobicContact CZ3-CB 3.85Å; W221-I259 HydrophobicContact CB-CD1 4.07Å; W221-I259 HydrophobicContact CB-CG1 4.19Å
222	Q	85.6	Confident	83.7	Confident	126 Å²	126	56.5 Å²	56.5	59%	0.589	29%	0.287	S	S	*	.	H	α-helix	trans	-58.4	-32.5	176.7	-66.1	-179.3	-23.7	0	0	113.6	N220 S226	N220-Q222 PolarHBondContact O-N 2.65Å; Q222-S226 WeakPolarHBondContact O-CB 3.39Å; Q222-S226 PolarHBondContact O-N 3.02Å; Q222-S226 PolarHBondContact O-OG 2.94Å
223	Q	84.5	Confident	83.5	Confident	60 Å²	60	59.3 Å²	59.3	28%	0.28	31%	0.306	S	S	.	.	H	α-helix	trans	-80.5	-27.4	176.7	-67.3	156.2	34.6	0	0	111.5	L200 N220 W221 S226	L200-Q223 HydrophobicContact CD2-CB 4.36Å; N220-Q223 PolarHBondContact ND2-NE2 3.12Å; N220-Q223 PolarHBondContact ND2-OE1 3.46Å; N220-Q223 WeakPolarHBondContact O-CB 3.38Å; N220-Q223 PolarHBondContact O-N 3.38Å; W221-Q223 PolarHBondContact O-N 3.35Å; Q223-S226 VanDerWaalsContact O-O 3.07Å
224	L	83.9	Confident	83.5	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-82	-27.8	176.4	-61.9	171.5	0	0	0	112.3	F188 L200 L217 N220 W221 W234 I259	F188-L224 HydrophobicContact CD1-CD2 4.36Å; F188-L224 HydrophobicContact CE1-CD2 4.35Å; F188-L224 HydrophobicContact CE2-CD2 4.5Å; F188-L224 HydrophobicContact CG-CD2 4.46Å; F188-L224 HydrophobicContact CZ-CD2 4.41Å; L200-L224 HydrophobicContact CD1-CD2 3.89Å; L200-L224 HydrophobicContact CD2-CD2 4.18Å; L217-L224 HydrophobicContact CD1-CD1 3.88Å; N220-L224 PolarHBondContact O-N 2.91Å; W221-L224 CarbonylContact O-C 3.57Å; W221-L224 PolarHBondContact O-N 2.88Å; L224-W234 PolarHBondContact O-NE1 3.04Å; L224-I259 HydrophobicContact CB-CD1 4.32Å
225	A	83.9	Confident	83.6	Confident	13 Å²	13	59.2 Å²	59.2	11%	0.107	31%	0.307	C	S	.	.	S	Bend	trans	-87.7	-2	176.6	0	0	0	0	0	113.8	W221 F232 I259	W221-A225 WeakPolarHBondContact O-CB 3.43Å; W221-A225 PolarHBondContact O-N 3.49Å; A225-F232 PolarHBondContact O-N 2.92Å; A225-I259 HydrophobicContact CB-CG1 4.38Å
226	S	83.1	Confident	83.8	Confident	47 Å²	47	56.2 Å²	56.2	33%	0.329	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	152.2	-179.6	67.6	0	0	0	0	113.7	Q204 Q222 Q223 K230	Q204-S226 PolarHBondContact NE2-O 3.25Å; Q204-S226 VanDerWaalsContact NE2-O 3.16Å; Q222-S226 WeakPolarHBondContact O-CB 3.39Å; Q222-S226 PolarHBondContact O-N 3.02Å; Q222-S226 PolarHBondContact O-OG 2.94Å; Q223-S226 VanDerWaalsContact O-O 3.07Å; S226-K230 CarbonylContact C-O 3.57Å; S226-K230 WeakPolarHBondContact CA-O 3.34Å; S226-K230 WeakPolarHBondContact CB-O 3.48Å
227	F	78	Confident	84.1	Confident	43 Å²	43	54.4 Å²	54.4	19%	0.189	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	123.8	172.9	-180	-116.1	0	0	0	109.1	E201 Q204 R205 G229 K230 F232	E201-F227 HydrophobicContact CG-CE2 4.46Å; Q204-F227 HydrophobicContact CB-CD2 3.91Å; Q204-F227 HydrophobicContact CB-CE2 4.06Å; Q204-F227 HydrophobicContact CB-CG 4.39Å; Q204-F227 HydrophobicContact CG-CD2 4.4Å; Q204-F227 VanDerWaalsContact OE1-CD2 3.22Å; R205-F227 HydrophobicContact CG-CE2 4.15Å; R205-F227 HydrophobicContact CG-CZ 3.58Å; F227-G229 PolarHBondContact O-N 2.87Å; F227-G229 VanDerWaalsContact O-N 3.1Å; F227-K230 PolarHBondContact N-O 3.43Å; F227-K230 PolarHBondContact O-N 2.84Å; F227-F232 HydrophobicContact CB-CB 4Å; F227-F232 HydrophobicContact CB-CD2 3.76Å; F227-F232 HydrophobicContact CB-CG 4.18Å; F227-F232 HydrophobicContact CG-CD2 4.39Å
228	Q	69.4	Low	84.5	Confident	159 Å²	159	54.4 Å²	54.4	74%	0.743	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	33.3	179.7	-58.9	-176.7	-12.1	0	0	114.6	K230	Q228-K230 VanDerWaalsContact C-N 3.29Å; Q228-K230 PolarHBondContact O-N 3.47Å
229	G	67.1	Low	84.8	Confident	49 Å²	49	52 Å²	52	51%	0.505	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	2	-178	0	0	0	0	0	115.1	F227 W741	F227-G229 PolarHBondContact O-N 2.87Å; F227-G229 VanDerWaalsContact O-N 3.1Å; G229-W741 PolarHBondContact O-NE1 3.42Å
230	K	74.8	Confident	85	Confident	159 Å²	159	47.2 Å²	47.2	69%	0.691	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	159.4	167.7	-64.5	-175.4	178.9	-177.3	0	110.5	S226 F227 Q228	S226-K230 CarbonylContact C-O 3.57Å; S226-K230 WeakPolarHBondContact CA-O 3.34Å; S226-K230 WeakPolarHBondContact CB-O 3.48Å; F227-K230 PolarHBondContact N-O 3.43Å; F227-K230 PolarHBondContact O-N 2.84Å; Q228-K230 VanDerWaalsContact C-N 3.29Å; Q228-K230 PolarHBondContact O-N 3.47Å
231	E	78	Confident	85.1	Confident	124 Å²	124	47.5 Å²	47.5	58%	0.579	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	136.8	170.5	-169.6	169.6	162.7	0	0	110.2	P260	E231-P260 HydrophobicContact CG-CB 4.48Å; E231-P260 HydrophobicContact CG-CG 3.68Å; E231-P260 WeakPolarHBondContact OE1-CG 3.18Å
232	F	86.2	Confident	85.3	Confident	20 Å²	20	43.6 Å²	43.6	9%	0.088	23%	0.228	C	C	.	.			trans	-116.5	118.8	-179.1	-174.7	-92	0	0	0	109.9	H159 Q204 A225 F227 W234	H159-F232 HydrophobicContact CB-CE1 4.35Å; H159-F232 HydrophobicContact CB-CZ 4.08Å; H159-F232 AromaticContact CD2-CZ 3.91Å; H159-F232 AromaticContact CG-CZ 3.68Å; H159-F232 AromaticContact ND1-CZ 3.85Å; Q204-F232 HydrophobicContact CB-CE2 4.01Å; Q204-F232 HydrophobicContact CB-CZ 4.18Å; Q204-F232 HydrophobicContact CG-CD1 4.41Å; Q204-F232 HydrophobicContact CG-CD2 4.28Å; Q204-F232 HydrophobicContact CG-CE1 4.03Å; Q204-F232 HydrophobicContact CG-CE2 3.89Å; Q204-F232 HydrophobicContact CG-CZ 3.76Å; A225-F232 PolarHBondContact O-N 2.92Å; F227-F232 HydrophobicContact CB-CB 4Å; F227-F232 HydrophobicContact CB-CD2 3.76Å; F227-F232 HydrophobicContact CB-CG 4.18Å; F227-F232 HydrophobicContact CG-CD2 4.39Å; F232-W234 HydrophobicContact CD1-CD2 4.22Å; F232-W234 AromaticContact CD1-CE2 3.72Å; F232-W234 HydrophobicContact CD1-CG 4.45Å; F232-W234 AromaticContact CD1-CZ2 3.99Å; F232-W234 HydrophobicContact CD1-CZ2 3.99Å; F232-W234 AromaticContact CD1-NE1 3.66Å; F232-W234 AromaticContact CE1-CD2 3.75Å; F232-W234 HydrophobicContact CE1-CD2 3.75Å; F232-W234 AromaticContact CE1-CE2 3.55Å; F232-W234 HydrophobicContact CE1-CE3 4.07Å; F232-W234 HydrophobicContact CE1-CG 4.25Å; F232-W234 AromaticContact CE1-CH2 3.99Å; F232-W234 HydrophobicContact CE1-CH2 3.99Å; F232-W234 AromaticContact CE1-CZ2 3.69Å; F232-W234 HydrophobicContact CE1-CZ2 3.69Å; F232-W234 HydrophobicContact CE1-CZ3 4.19Å; F232-W234 AromaticContact CE1-NE1 3.96Å
233	C	88.1	Confident	85.1	Confident	60 Å²	60	38.5 Å²	38.5	41%	0.405	20%	0.204	S	C	.	.			trans	-103.4	123.1	-178.1	-172.1	0	0	0	0	110.8	P260	C233-P260 HydrophobicContact CB-CB 4.16Å
234	W	92.3	Very high	85	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	143.6	177.7	-65.3	86.8	0	0	0	111	H159 L161 L200 I210 L224 F232 P260 S261 K262	H159-W234 HydrophobicContact CB-CE3 3.83Å; H159-W234 HydrophobicContact CB-CZ3 4.01Å; L161-W234 HydrophobicContact CB-CD2 3.75Å; L161-W234 HydrophobicContact CB-CE3 3.74Å; L161-W234 HydrophobicContact CB-CG 4.19Å; L161-W234 HydrophobicContact CB-CZ3 4.21Å; L200-W234 HydrophobicContact CD1-CH2 4.44Å; L200-W234 HydrophobicContact CD1-CZ2 4.32Å; I210-W234 HydrophobicContact CB-CH2 4.35Å; I210-W234 HydrophobicContact CD1-CH2 3.67Å; I210-W234 HydrophobicContact CD1-CZ2 4.5Å; I210-W234 HydrophobicContact CG1-CH2 3.93Å; I210-W234 HydrophobicContact CG1-CZ3 4.3Å; L224-W234 PolarHBondContact O-NE1 3.04Å; F232-W234 HydrophobicContact CD1-CD2 4.22Å; F232-W234 AromaticContact CD1-CE2 3.72Å; F232-W234 HydrophobicContact CD1-CG 4.45Å; F232-W234 AromaticContact CD1-CZ2 3.99Å; F232-W234 HydrophobicContact CD1-CZ2 3.99Å; F232-W234 AromaticContact CD1-NE1 3.66Å; F232-W234 AromaticContact CE1-CD2 3.75Å; F232-W234 HydrophobicContact CE1-CD2 3.75Å; F232-W234 AromaticContact CE1-CE2 3.55Å; F232-W234 HydrophobicContact CE1-CE3 4.07Å; F232-W234 HydrophobicContact CE1-CG 4.25Å; F232-W234 AromaticContact CE1-CH2 3.99Å; F232-W234 HydrophobicContact CE1-CH2 3.99Å; F232-W234 AromaticContact CE1-CZ2 3.69Å; F232-W234 HydrophobicContact CE1-CZ2 3.69Å; F232-W234 HydrophobicContact CE1-CZ3 4.19Å; F232-W234 AromaticContact CE1-NE1 3.96Å; W234-P260 PolarHBondContact N-O 3.2Å; W234-S261 CarbonylContact O-C 3.52Å; W234-S261 VanDerWaalsContact O-CA 3.28Å; W234-S261 WeakPolarHBondContact O-CA 3.41Å; W234-K262 PolarHBondContact O-N 2.69Å
235	D	92.3	Very high	85	Confident	16 Å²	16	41.5 Å²	41.5	9%	0.086	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	-45.6	174	-61.4	-53.7	0	0	0	110.3	I157 K158 H159 K262 N263	I157-D235 HydrophobicContact CB-CB 4.07Å; I157-D235 HydrophobicContact CG2-CB 4.13Å; K158-D235 PolarHBondContact N-OD2 3Å; H159-D235 PolarHBondContact N-OD2 3.14Å; H159-D235 WeakPolarHBondContact O-CB 3.45Å; H159-D235 PolarHBondContact O-N 2.87Å; D235-K262 VanDerWaalsContact OD1-CE 3.3Å; D235-K262 WeakPolarHBondContact OD1-CE 3.49Å; D235-K262 IonicContact OD1-NZ 3.72Å; D235-K262 PolarHBondContact OD1-NZ 2.83Å; D235-N263 WeakPolarHBondContact O-CB 3.38Å; D235-N263 PolarHBondContact O-N 3.44Å
236	Y	93.5	Very high	84.7	Confident	6 Å²	6	42.4 Å²	42.4	2%	0.024	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	132.1	175	-86.5	-92.3	0	0	0	111.8	Y123 F147 M151 I157 H159 T160 L161 N263 I265	Y123-Y236 HydrophobicContact CD2-CE2 4.33Å; Y123-Y236 VanDerWaalsContact CD2-OH 3.31Å; Y123-Y236 WeakPolarHBondContact CD2-OH 3.5Å; F147-Y236 HydrophobicContact CE1-CD1 4.42Å; F147-Y236 AromaticContact CE1-CE1 3.95Å; F147-Y236 HydrophobicContact CE1-CE1 3.95Å; F147-Y236 HydrophobicContact CZ-CE1 4.11Å; F147-Y236 HydrophobicContact CZ-CE2 4.45Å; F147-Y236 AromaticContact CZ-CZ 3.81Å; M151-Y236 HydrophobicContact CE-CE2 4.24Å; I157-Y236 HydrophobicContact CD1-CD2 4.45Å; I157-Y236 HydrophobicContact CG2-CD2 3.71Å; I157-Y236 HydrophobicContact CG2-CE2 3.71Å; H159-Y236 PolarHBondContact O-N 2.96Å; T160-Y236 WeakPolarHBondContact CA-O 3.39Å; L161-Y236 PolarHBondContact N-O 2.94Å; Y236-N263 WeakPolarHBondContact CA-O 3.47Å; Y236-N263 HydrophobicContact CD1-CB 3.7Å; Y236-N263 HydrophobicContact CD2-CB 4.29Å; Y236-N263 HydrophobicContact CE1-CB 3.43Å; Y236-N263 VanDerWaalsContact CE1-CB 3.43Å; Y236-N263 HydrophobicContact CE2-CB 4.06Å; Y236-N263 WeakPolarHBondContact CE2-ND2 3.48Å; Y236-N263 HydrophobicContact CG-CB 4.13Å; Y236-N263 PolarHBondContact OH-ND2 2.71Å; Y236-I265 HydrophobicContact CD1-CD1 3.66Å; Y236-I265 HydrophobicContact CD1-CG1 4.06Å; Y236-I265 HydrophobicContact CE1-CD1 3.53Å; Y236-I265 HydrophobicContact CE1-CG1 3.97Å
237	M	94.4	Very high	84.6	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	119.6	164.2	-176.5	172.5	-173.3	0	0	108.3	L161 V163 L217 L239 A256 I259 N263 R264 I265 F285	L161-M237 HydrophobicContact CD2-CE 4.33Å; L161-M237 HydrophobicContact CD2-CG 4.38Å; L161-M237 CarbonylContact O-C 3.57Å; L161-M237 WeakPolarHBondContact O-CA 3.42Å; V163-M237 HydrophobicContact CG2-CE 4.37Å; L217-M237 HydrophobicContact CD2-CE 4.32Å; M237-L239 HydrophobicContact CE-CD2 4.04Å; M237-L239 HydrophobicContact CG-CD2 4.27Å; M237-A256 HydrophobicContact CE-CB 3.92Å; M237-I259 HydrophobicContact CE-CB 4.24Å; M237-I259 HydrophobicContact CE-CD1 4.06Å; M237-I259 HydrophobicContact CE-CG2 4.47Å; M237-I259 HydrophobicContact SD-CB 4.18Å; M237-I259 HydrophobicContact SD-CG2 4.06Å; M237-N263 PolarHBondContact N-O 3.47Å; M237-R264 HydrophobicContact CB-CG 4.39Å; M237-R264 VanDerWaalsContact O-CA 3.31Å; M237-R264 WeakPolarHBondContact O-CA 3.35Å; M237-I265 PolarHBondContact O-N 3.27Å; M237-F285 HydrophobicContact CE-CZ 4.29Å; M237-F285 HydrophobicContact SD-CZ 4.17Å
238	I	95.3	Very high	84.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	123.4	-173.8	-52.8	-174.9	0	0	0	108.6	I144 L148 T160 L161 L162 V163 I265 L267	I144-I238 HydrophobicContact CG2-CD1 3.9Å; I144-I238 HydrophobicContact CG2-CG2 4.38Å; L148-I238 HydrophobicContact CD1-CD1 4.3Å; L148-I238 HydrophobicContact CD2-CD1 4.17Å; L148-I238 HydrophobicContact CG-CD1 4.45Å; T160-I238 HydrophobicContact CG2-CD1 4.17Å; T160-I238 HydrophobicContact CG2-CG1 4.46Å; L161-I238 PolarHBondContact O-N 2.55Å; L162-I238 WeakPolarHBondContact CA-O 3.2Å; L162-I238 HydrophobicContact CD2-CB 3.69Å; L162-I238 HydrophobicContact CD2-CD1 4.49Å; L162-I238 HydrophobicContact CD2-CG2 3.74Å; L162-I238 HydrophobicContact CG-CB 4.49Å; V163-I238 PolarHBondContact N-O 2.82Å; I238-I265 VanDerWaalsContact CA-O 3.32Å; I238-I265 WeakPolarHBondContact CA-O 3.38Å; I238-I265 HydrophobicContact CD1-CD1 4.13Å; I238-I265 HydrophobicContact CG1-CB 4.17Å; I238-I265 HydrophobicContact CG1-CD1 4.38Å; I238-I265 HydrophobicContact CG2-CB 4.25Å; I238-I265 HydrophobicContact CG2-CG2 4.43Å; I238-L267 HydrophobicContact CG2-CD1 4.04Å; I238-L267 HydrophobicContact CG2-CD2 4.29Å; I238-L267 HydrophobicContact CG2-CG 4.08Å
239	L	93.6	Very high	85.3	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	117.8	-179.7	-51.5	-169.8	0	0	0	110.5	V163 M237 A242 I245 I265 L266 L267 F285	V163-L239 HydrophobicContact CB-CD2 3.56Å; V163-L239 HydrophobicContact CG1-CD2 4.42Å; V163-L239 HydrophobicContact CG2-CD2 3.48Å; V163-L239 VanDerWaalsContact CG2-CD2 3.48Å; M237-L239 HydrophobicContact CE-CD2 4.04Å; M237-L239 HydrophobicContact CG-CD2 4.27Å; L239-A242 HydrophobicContact CB-CB 4.26Å; L239-I245 HydrophobicContact CD1-CD1 3.63Å; L239-I245 HydrophobicContact CD1-CG1 4.12Å; L239-I245 HydrophobicContact CD1-CG2 4.08Å; L239-I265 PolarHBondContact N-O 3.11Å; L239-L266 HydrophobicContact CB-CD2 3.72Å; L239-L266 HydrophobicContact CD1-CD2 3.61Å; L239-L266 HydrophobicContact CG-CD2 3.71Å; L239-L267 PolarHBondContact O-N 3.03Å; L239-F285 HydrophobicContact CD1-CD1 4.24Å; L239-F285 HydrophobicContact CD1-CE1 3.6Å; L239-F285 HydrophobicContact CD1-CZ 3.86Å; L239-F285 HydrophobicContact CG-CE1 4.15Å
240	D	92.1	Very high	86.2	Confident	10 Å²	10	39.7 Å²	39.7	5%	0.053	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	138.1	172.8	-167.5	24.3	0	0	0	111.7	V163 M164 L168 W172 Y214 L267	V163-D240 PolarHBondContact O-N 3.24Å; M164-D240 HydrophobicContact CB-CB 4.01Å; L168-D240 VanDerWaalsContact CD1-OD2 3.27Å; L168-D240 WeakPolarHBondContact CD1-OD2 3.17Å; W172-D240 HydrophobicContact CZ2-CB 4.03Å; W172-D240 PolarHBondContact NE1-OD2 3.47Å; Y214-D240 WeakPolarHBondContact CE2-O 3.31Å; Y214-D240 PolarHBondContact OH-O 3.25Å; D240-L267 HydrophobicContact CB-CD1 4.12Å
241	E	87.1	Confident	86.7	Confident	22 Å²	22	37.6 Å²	37.6	10%	0.103	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	49	52.9	-162.8	-66.9	-62.9	178.6	0	0	113.5	M136 P165 H243 K244 L267	M136-E241 WeakPolarHBondContact CE-OE1 3.48Å; P165-E241 HydrophobicContact CG-CB 4.11Å; P165-E241 HydrophobicContact CG-CG 4.44Å; E241-H243 PolarHBondContact O-N 3.04Å; E241-H243 IonicContact OE2-CE1 3.25Å; E241-H243 PolarHBondContact OE2-CE1 3.05Å; E241-H243 VanDerWaalsContact OE2-CE1 3.26Å; E241-H243 IonicContact OE2-ND1 2.77Å; E241-H243 PolarHBondContact OE2-ND1 2.97Å; E241-K244 PolarHBondContact O-N 2.86Å; E241-L267 PolarHBondContact N-O 3.41Å
242	A	87.6	Confident	87.2	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.008	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-54	-14.7	-178.6	0	0	0	0	0	115.4	L239 K244 I245 L266 L267 L282	L239-A242 HydrophobicContact CB-CB 4.26Å; A242-K244 PolarHBondContact O-N 3.49Å; A242-I245 WeakPolarHBondContact O-CG1 3.4Å; A242-I245 PolarHBondContact O-N 3.39Å; A242-L266 HydrophobicContact CB-CB 3.8Å; A242-L266 HydrophobicContact CB-CD1 4.42Å; A242-L266 HydrophobicContact CB-CD2 3.91Å; A242-L266 HydrophobicContact CB-CG 4.27Å; A242-L267 WeakPolarHBondContact CB-O 3.26Å; A242-L267 PolarHBondContact N-O 3.27Å; A242-L282 HydrophobicContact CB-CD2 4.28Å; A242-L282 WeakPolarHBondContact O-CD2 3.27Å
243	H	81.1	Confident	87.2	Confident	20 Å²	20	31.5 Å²	31.5	9%	0.093	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-55.6	-19.9	168.9	75	-102	0	0	0	112.8	E241 I245 K246 Q273	E241-H243 PolarHBondContact O-N 3.04Å; E241-H243 IonicContact OE2-CE1 3.25Å; E241-H243 PolarHBondContact OE2-CE1 3.05Å; E241-H243 VanDerWaalsContact OE2-CE1 3.26Å; E241-H243 IonicContact OE2-ND1 2.77Å; E241-H243 PolarHBondContact OE2-ND1 2.97Å; H243-I245 PolarHBondContact O-N 2.88Å; H243-K246 VanDerWaalsContact O-CB 3.25Å; H243-K246 WeakPolarHBondContact O-CB 3.22Å; H243-K246 WeakPolarHBondContact O-CG 3.38Å; H243-K246 PolarHBondContact O-N 3.13Å; H243-Q273 PolarHBondContact CD2-NE2 3.38Å; H243-Q273 VanDerWaalsContact CG-NE2 3.28Å
244	K	82.6	Confident	87.2	Confident	121 Å²	121	34.5 Å²	34.5	53%	0.526	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-69.5	-6.5	171.4	-65	-62.9	-178.3	-177.5	0	115.5	Y214 E241 A242	Y214-K244 HydrophobicContact CD2-CB 4.23Å; Y214-K244 HydrophobicContact CE1-CB 4.42Å; Y214-K244 HydrophobicContact CE2-CB 3.92Å; Y214-K244 HydrophobicContact CE2-CG 4.27Å; E241-K244 PolarHBondContact O-N 2.86Å; A242-K244 PolarHBondContact O-N 3.49Å
245	I	83.9	Confident	87	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-110.9	14.7	171.1	67.1	151	0	0	0	113.7	Y214 L239 A242 H243 N247 T252 A253 L266 L282 F285	Y214-I245 HydrophobicContact CD1-CG2 4.41Å; Y214-I245 HydrophobicContact CE1-CG2 3.81Å; L239-I245 HydrophobicContact CD1-CD1 3.63Å; L239-I245 HydrophobicContact CD1-CG1 4.12Å; L239-I245 HydrophobicContact CD1-CG2 4.08Å; A242-I245 WeakPolarHBondContact O-CG1 3.4Å; A242-I245 PolarHBondContact O-N 3.39Å; H243-I245 PolarHBondContact O-N 2.88Å; I245-N247 PolarHBondContact O-N 3.14Å; I245-T252 HydrophobicContact CG2-CG2 4.16Å; I245-A253 HydrophobicContact CB-CB 4.5Å; I245-L266 HydrophobicContact CD1-CD2 4.41Å; I245-L282 HydrophobicContact CD1-CD2 4.22Å; I245-L282 HydrophobicContact CG1-CD2 3.82Å; I245-F285 HydrophobicContact CD1-CB 3.93Å; I245-F285 HydrophobicContact CD1-CD1 3.76Å; I245-F285 HydrophobicContact CD1-CD2 4.01Å; I245-F285 HydrophobicContact CD1-CE1 4.31Å; I245-F285 HydrophobicContact CD1-CG 3.59Å
246	K	78.7	Confident	86.9	Confident	33 Å²	33	34 Å²	34	14%	0.143	17%	0.173	C	C	.	.			trans	-55.6	-18.7	-171.5	67.5	-174.9	-159.5	157.5	0	116.9	H243 N274 E278 T281 D876	H243-K246 VanDerWaalsContact O-CB 3.25Å; H243-K246 WeakPolarHBondContact O-CB 3.22Å; H243-K246 WeakPolarHBondContact O-CG 3.38Å; H243-K246 PolarHBondContact O-N 3.13Å; K246-N274 PolarHBondContact NZ-ND2 3.38Å; K246-E278 HydrophobicContact CB-CB 4.12Å; K246-E278 HydrophobicContact CB-CG 4.07Å; K246-E278 HydrophobicContact CD-CG 4.49Å; K246-E278 WeakPolarHBondContact CD-OE1 3.47Å; K246-E278 IonicContact NZ-OE1 3.26Å; K246-E278 PolarHBondContact NZ-OE1 3.45Å; K246-T281 PolarHBondContact O-OG1 2.86Å; K246-D876 WeakPolarHBondContact CE-OD2 3.22Å; K246-D876 VanDerWaalsContact NZ-CG 3.27Å; K246-D876 IonicContact NZ-OD1 3.76Å; K246-D876 PolarHBondContact NZ-OD1 3.5Å; K246-D876 IonicContact NZ-OD2 2.67Å; K246-D876 PolarHBondContact NZ-OD2 2.86Å
247	N	81.3	Confident	86.6	Confident	81 Å²	81	36.6 Å²	36.6	43%	0.433	18%	0.183	S	C	.	.			trans	-121.7	114.2	179.5	178.9	-0.9	0	0	0	110.7	I245 S249 T250 A253	I245-N247 PolarHBondContact O-N 3.14Å; N247-S249 PolarHBondContact ND2-OG 2.95Å; N247-S249 PolarHBondContact O-N 3.44Å; N247-S249 WeakPolarHBondContact OD1-CB 3.41Å; N247-S249 PolarHBondContact OD1-N 3.48Å; N247-S249 PolarHBondContact OD1-OG 3.44Å; N247-S249 VanDerWaalsContact OD1-OG 3.05Å; N247-T250 HydrophobicContact CB-CG2 3.92Å; N247-T250 WeakPolarHBondContact O-CB 3.09Å; N247-T250 WeakPolarHBondContact O-CG2 3.48Å; N247-T250 PolarHBondContact O-N 3Å; N247-T250 VanDerWaalsContact O-N 3.13Å; N247-T250 PolarHBondContact O-OG1 2.91Å; N247-A253 WeakPolarHBondContact O-CB 3.45Å
248	S	79.7	Confident	86.3	Confident	44 Å²	44	38.6 Å²	38.6	31%	0.308	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-22.2	-178.6	-167.9	0	0	0	0	113.8	T250	S248-T250 VanDerWaalsContact C-N 3.28Å; S248-T250 PolarHBondContact O-N 3.42Å
249	S	82.1	Confident	86	Confident	71 Å²	71	38.7 Å²	38.7	50%	0.497	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-19.6	177.4	80.8	0	0	0	0	113.6	N247 K254	N247-S249 PolarHBondContact ND2-OG 2.95Å; N247-S249 PolarHBondContact O-N 3.44Å; N247-S249 WeakPolarHBondContact OD1-CB 3.41Å; N247-S249 PolarHBondContact OD1-N 3.48Å; N247-S249 PolarHBondContact OD1-OG 3.44Å; N247-S249 VanDerWaalsContact OD1-OG 3.05Å; S249-K254 WeakPolarHBondContact O-CE 3.33Å; S249-K254 PolarHBondContact O-NZ 2.89Å
250	T	85	Confident	85.8	Confident	44 Å²	44	39.9 Å²	39.9	27%	0.27	21%	0.208	S	C	.	.	S	Bend	trans	-66.4	150.4	-174.1	60.6	0	0	0	0	113	N247 S248 T252 A253 K254	N247-T250 HydrophobicContact CB-CG2 3.92Å; N247-T250 WeakPolarHBondContact O-CB 3.09Å; N247-T250 WeakPolarHBondContact O-CG2 3.48Å; N247-T250 PolarHBondContact O-N 3Å; N247-T250 VanDerWaalsContact O-N 3.13Å; N247-T250 PolarHBondContact O-OG1 2.91Å; S248-T250 VanDerWaalsContact C-N 3.28Å; S248-T250 PolarHBondContact O-N 3.42Å; T250-T252 PolarHBondContact O-N 2.75Å; T250-T252 PolarHBondContact OG1-OG1 3.27Å; T250-A253 PolarHBondContact O-N 3.35Å; T250-A253 WeakPolarHBondContact OG1-CB 2.92Å; T250-A253 PolarHBondContact OG1-N 3.11Å; T250-A253 VanDerWaalsContact OG1-N 3.16Å; T250-K254 WeakPolarHBondContact O-CB 3.39Å; T250-K254 WeakPolarHBondContact O-CG 3.45Å; T250-K254 PolarHBondContact O-N 2.99Å
251	K	86.4	Confident	85.7	Confident	116 Å²	116	39.9 Å²	39.9	50%	0.504	21%	0.209	S	C	.	.	H	α-helix	trans	-59.7	-37.3	175.3	-175.8	-174.5	173	-163.3	0	111.5	M218 N219 S255	M218-K251 HydrophobicContact CB-CD 4.39Å; M218-K251 HydrophobicContact CG-CD 4.44Å; M218-K251 HydrophobicContact CG-CG 4.25Å; M218-K251 WeakPolarHBondContact O-CE 3.46Å; M218-K251 PolarHBondContact O-NZ 3.47Å; M218-K251 HydrophobicContact SD-CB 4.03Å; M218-K251 HydrophobicContact SD-CD 4.12Å; M218-K251 HydrophobicContact SD-CG 4.16Å; N219-K251 PolarHBondContact OD1-NZ 2.8Å; K251-S255 VanDerWaalsContact O-CB 3.26Å; K251-S255 WeakPolarHBondContact O-CB 3.3Å; K251-S255 PolarHBondContact O-N 2.91Å; K251-S255 PolarHBondContact O-OG 3.09Å
252	T	87.7	Confident	85.8	Confident	15 Å²	15	44.5 Å²	44.5	9%	0.092	23%	0.229	C	C	.	.	H	α-helix	trans	-67.1	-47.8	178.4	47.6	0	0	0	0	112	Y214 M218 I245 T250 S255 A256	Y214-T252 HydrophobicContact CD1-CG2 3.65Å; Y214-T252 HydrophobicContact CE1-CG2 4.47Å; Y214-T252 HydrophobicContact CG-CG2 4.31Å; M218-T252 HydrophobicContact CG-CG2 4.49Å; I245-T252 HydrophobicContact CG2-CG2 4.16Å; T250-T252 PolarHBondContact O-N 2.75Å; T250-T252 PolarHBondContact OG1-OG1 3.27Å; T252-S255 PolarHBondContact O-N 3.48Å; T252-A256 PolarHBondContact O-N 3.29Å
253	A	87.2	Confident	85.9	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.1	-54.7	173.1	0	0	0	0	0	110.6	I245 N247 T250 S255 A256 Y257	I245-A253 HydrophobicContact CB-CB 4.5Å; N247-A253 WeakPolarHBondContact O-CB 3.45Å; T250-A253 PolarHBondContact O-N 3.35Å; T250-A253 WeakPolarHBondContact OG1-CB 2.92Å; T250-A253 PolarHBondContact OG1-N 3.11Å; T250-A253 VanDerWaalsContact OG1-N 3.16Å; A253-S255 VanDerWaalsContact C-N 3.28Å; A253-S255 PolarHBondContact O-N 2.67Å; A253-A256 CarbonylContact O-C 3.59Å; A253-A256 WeakPolarHBondContact O-CA 3.06Å; A253-A256 WeakPolarHBondContact O-CB 3.42Å; A253-A256 PolarHBondContact O-N 2.84Å; A253-Y257 HydrophobicContact CB-CD2 4.46Å; A253-Y257 HydrophobicContact CB-CE2 4.38Å; A253-Y257 VanDerWaalsContact O-CD2 3.25Å; A253-Y257 WeakPolarHBondContact O-CD2 3.44Å; A253-Y257 PolarHBondContact O-N 3.07Å
254	K	87.8	Confident	86.5	Confident	123 Å²	123	45.3 Å²	45.3	54%	0.535	23%	0.232	S	C	.	.	H	α-helix	trans	-53.5	-41.7	178.6	-72.6	166.4	176.3	163.6	0	113.1	S249 T250 A256 Y257 A258	S249-K254 WeakPolarHBondContact O-CE 3.33Å; S249-K254 PolarHBondContact O-NZ 2.89Å; T250-K254 WeakPolarHBondContact O-CB 3.39Å; T250-K254 WeakPolarHBondContact O-CG 3.45Å; T250-K254 PolarHBondContact O-N 2.99Å; K254-A256 VanDerWaalsContact C-N 3.33Å; K254-A256 PolarHBondContact O-N 3.3Å; K254-Y257 PolarHBondContact O-N 2.95Å; K254-A258 WeakPolarHBondContact O-CB 3.38Å; K254-A258 PolarHBondContact O-N 3.41Å; K254-A258 VanDerWaalsContact O-N 3.12Å
255	S	88.7	Confident	87	Confident	5 Å²	5	39.7 Å²	39.7	4%	0.035	21%	0.208	C	C	.	.	H	α-helix	trans	-68	-30.5	176.8	-56.8	0	0	0	0	112.9	K251 T252 A253	K251-S255 VanDerWaalsContact O-CB 3.26Å; K251-S255 WeakPolarHBondContact O-CB 3.3Å; K251-S255 PolarHBondContact O-N 2.91Å; K251-S255 PolarHBondContact O-OG 3.09Å; T252-S255 PolarHBondContact O-N 3.48Å; A253-S255 VanDerWaalsContact C-N 3.28Å; A253-S255 PolarHBondContact O-N 2.67Å
256	A	88.6	Confident	87.5	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-75.9	-42.6	174.1	0	0	0	0	0	112.1	L217 M237 T252 A253 K254 A258 I259 F285	L217-A256 HydrophobicContact CD2-CB 3.79Å; M237-A256 HydrophobicContact CE-CB 3.92Å; T252-A256 PolarHBondContact O-N 3.29Å; A253-A256 CarbonylContact O-C 3.59Å; A253-A256 WeakPolarHBondContact O-CA 3.06Å; A253-A256 WeakPolarHBondContact O-CB 3.42Å; A253-A256 PolarHBondContact O-N 2.84Å; K254-A256 VanDerWaalsContact C-N 3.33Å; K254-A256 PolarHBondContact O-N 3.3Å; A256-A258 PolarHBondContact O-N 2.86Å; A256-I259 PolarHBondContact O-N 2.8Å; A256-F285 HydrophobicContact CB-CE2 3.65Å; A256-F285 HydrophobicContact CB-CZ 4.04Å
257	Y	88.1	Confident	88.1	Confident	61 Å²	61	38 Å²	38	24%	0.239	20%	0.201	C	C	.	.	H	α-helix	trans	-59.6	-37.1	175.5	-82.8	-85.9	0	0	0	111.8	A253 K254 I259 R264 D284 F285	A253-Y257 HydrophobicContact CB-CD2 4.46Å; A253-Y257 HydrophobicContact CB-CE2 4.38Å; A253-Y257 VanDerWaalsContact O-CD2 3.25Å; A253-Y257 WeakPolarHBondContact O-CD2 3.44Å; A253-Y257 PolarHBondContact O-N 3.07Å; K254-Y257 PolarHBondContact O-N 2.95Å; Y257-I259 PolarHBondContact O-N 3.18Å; Y257-R264 PolarHBondContact O-NH2 3.37Å; Y257-D284 VanDerWaalsContact CE1-OD2 3.24Å; Y257-D284 WeakPolarHBondContact CE1-OD2 3.44Å; Y257-D284 VanDerWaalsContact CZ-OD2 3.26Å; Y257-D284 PolarHBondContact OH-OD2 2.9Å; Y257-F285 HydrophobicContact CD1-CD2 4.05Å; Y257-F285 AromaticContact CD2-CD2 3.95Å; Y257-F285 HydrophobicContact CD2-CD2 3.95Å; Y257-F285 HydrophobicContact CE1-CB 4.22Å; Y257-F285 HydrophobicContact CE1-CD2 4.01Å; Y257-F285 HydrophobicContact CE2-CB 4.42Å; Y257-F285 AromaticContact CE2-CD2 3.88Å; Y257-F285 HydrophobicContact CE2-CD2 3.88Å; Y257-F285 HydrophobicContact CG-CD2 4.03Å; Y257-F285 HydrophobicContact CG-CE2 4.42Å; Y257-F285 AromaticContact CZ-CD2 3.93Å
258	A	87.4	Confident	88.4	Confident	43 Å²	43	34.2 Å²	34.2	36%	0.355	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-1.5	180	0	0	0	0	0	115.3	W221 K254 A256	W221-A258 HydrophobicContact CD2-CB 4.4Å; W221-A258 HydrophobicContact CE3-CB 3.84Å; W221-A258 HydrophobicContact CH2-CB 4.42Å; W221-A258 HydrophobicContact CZ3-CB 3.85Å; K254-A258 WeakPolarHBondContact O-CB 3.38Å; K254-A258 PolarHBondContact O-N 3.41Å; K254-A258 VanDerWaalsContact O-N 3.12Å; A256-A258 PolarHBondContact O-N 2.86Å
259	I	89.6	Confident	88.3	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.167	C	C	.	.	S	Bend	trans	-94.3	121.4	174.3	-68.7	167.1	0	0	0	109.3	L161 L217 W221 L224 A225 M237 A256 Y257 S261 R264	L161-I259 HydrophobicContact CD2-CD1 4.31Å; L161-I259 HydrophobicContact CD2-CG2 4.21Å; L217-I259 HydrophobicContact CD1-CD1 3.49Å; L217-I259 VanDerWaalsContact CD1-CD1 3.49Å; L217-I259 HydrophobicContact CG-CD1 4.01Å; W221-I259 HydrophobicContact CB-CD1 4.07Å; W221-I259 HydrophobicContact CB-CG1 4.19Å; L224-I259 HydrophobicContact CB-CD1 4.32Å; A225-I259 HydrophobicContact CB-CG1 4.38Å; M237-I259 HydrophobicContact CE-CB 4.24Å; M237-I259 HydrophobicContact CE-CD1 4.06Å; M237-I259 HydrophobicContact CE-CG2 4.47Å; M237-I259 HydrophobicContact SD-CB 4.18Å; M237-I259 HydrophobicContact SD-CG2 4.06Å; A256-I259 PolarHBondContact O-N 2.8Å; Y257-I259 PolarHBondContact O-N 3.18Å; I259-S261 PolarHBondContact O-N 2.95Å; I259-R264 PolarHBondContact O-NH2 3.4Å; I259-R264 VanDerWaalsContact O-NH2 3.16Å
260	P	88.4	Confident	87.8	Confident	25 Å²	25	29.9 Å²	29.9	16%	0.162	15%	0.15	C	C	.	.			trans	-69.5	129	177.8	-15.8	29.9	0	0	0	110.9	E231 C233 W234	E231-P260 HydrophobicContact CG-CB 4.48Å; E231-P260 HydrophobicContact CG-CG 3.68Å; E231-P260 WeakPolarHBondContact OE1-CG 3.18Å; C233-P260 HydrophobicContact CB-CB 4.16Å; W234-P260 PolarHBondContact N-O 3.2Å
261	S	90.6	Very high	86.7	Confident	11 Å²	11	28.1 Å²	28.1	8%	0.077	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	135.1	-177.5	61	0	0	0	0	110.5	W234 I259 R264 Q288	W234-S261 CarbonylContact O-C 3.52Å; W234-S261 VanDerWaalsContact O-CA 3.28Å; W234-S261 WeakPolarHBondContact O-CA 3.41Å; I259-S261 PolarHBondContact O-N 2.95Å; S261-R264 WeakPolarHBondContact OG-CG 3.24Å; S261-R264 PolarHBondContact OG-NE 2.89Å; S261-Q288 PolarHBondContact O-NE2 3.22Å; S261-Q288 VanDerWaalsContact O-NE2 3.08Å
262	K	88.8	Confident	85.6	Confident	119 Å²	119	22.7 Å²	22.7	52%	0.517	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	-58.2	172.9	-58.6	176.8	-173.4	164.9	0	110.2	W234 D235 Q288	W234-K262 PolarHBondContact O-N 2.69Å; D235-K262 VanDerWaalsContact OD1-CE 3.3Å; D235-K262 WeakPolarHBondContact OD1-CE 3.49Å; D235-K262 IonicContact OD1-NZ 3.72Å; D235-K262 PolarHBondContact OD1-NZ 2.83Å; K262-Q288 PolarHBondContact O-NE2 2.99Å
263	N	91.2	Very high	84.2	Confident	23 Å²	23	22.4 Å²	22.4	12%	0.123	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	144.8	-176	-61.3	-38	0	0	0	112.8	R128 D235 Y236 M237	R128-N263 CarbonylContact O-C 3.5Å; R128-N263 VanDerWaalsContact O-CA 3.24Å; R128-N263 WeakPolarHBondContact O-CA 3.41Å; D235-N263 WeakPolarHBondContact O-CB 3.38Å; D235-N263 PolarHBondContact O-N 3.44Å; Y236-N263 WeakPolarHBondContact CA-O 3.47Å; Y236-N263 HydrophobicContact CD1-CB 3.7Å; Y236-N263 HydrophobicContact CD2-CB 4.29Å; Y236-N263 HydrophobicContact CE1-CB 3.43Å; Y236-N263 VanDerWaalsContact CE1-CB 3.43Å; Y236-N263 HydrophobicContact CE2-CB 4.06Å; Y236-N263 WeakPolarHBondContact CE2-ND2 3.48Å; Y236-N263 HydrophobicContact CG-CB 4.13Å; Y236-N263 PolarHBondContact OH-ND2 2.71Å; M237-N263 PolarHBondContact N-O 3.47Å
264	R	92.9	Very high	82.9	Confident	14 Å²	14	23.5 Å²	23.5	5%	0.053	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	116.5	-178.9	-69.9	178.5	173.3	-178.1	-2.1	112.4	R128 G129 G130 M237 Y257 I259 S261 F285	R128-R264 PolarHBondContact O-N 3.11Å; G129-R264 CarbonylContact C-O 3.54Å; G129-R264 WeakPolarHBondContact CA-O 3.44Å; G130-R264 PolarHBondContact N-O 3.4Å; G130-R264 VanDerWaalsContact N-O 3.11Å; M237-R264 HydrophobicContact CB-CG 4.39Å; M237-R264 VanDerWaalsContact O-CA 3.31Å; M237-R264 WeakPolarHBondContact O-CA 3.35Å; Y257-R264 PolarHBondContact O-NH2 3.37Å; I259-R264 PolarHBondContact O-NH2 3.4Å; I259-R264 VanDerWaalsContact O-NH2 3.16Å; S261-R264 WeakPolarHBondContact OG-CG 3.24Å; S261-R264 PolarHBondContact OG-NE 2.89Å; R264-F285 HydrophobicContact CB-CE1 4.3Å; R264-F285 WeakPolarHBondContact CD-O 3.37Å; R264-F285 HydrophobicContact CG-CE1 4.22Å; R264-F285 PolarHBondContact NH1-O 3.45Å; R264-F285 VanDerWaalsContact NH1-O 3.12Å
265	I	94.1	Very high	82.1	Confident	3 Å²	3	19.6 Å²	19.6	2%	0.015	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	133.6	174.8	-60	166.8	0	0	0	109.7	L119 G130 I144 F147 Y236 M237 I238 L239 L267	L119-I265 HydrophobicContact CD2-CD1 4.11Å; L119-I265 HydrophobicContact CD2-CG2 4.21Å; G130-I265 WeakPolarHBondContact O-CA 3.25Å; I144-I265 HydrophobicContact CD1-CD1 4.39Å; I144-I265 HydrophobicContact CD1-CG2 4.06Å; F147-I265 HydrophobicContact CD1-CD1 4.27Å; F147-I265 HydrophobicContact CE1-CD1 3.8Å; Y236-I265 HydrophobicContact CD1-CD1 3.66Å; Y236-I265 HydrophobicContact CD1-CG1 4.06Å; Y236-I265 HydrophobicContact CE1-CD1 3.53Å; Y236-I265 HydrophobicContact CE1-CG1 3.97Å; M237-I265 PolarHBondContact O-N 3.27Å; I238-I265 VanDerWaalsContact CA-O 3.32Å; I238-I265 WeakPolarHBondContact CA-O 3.38Å; I238-I265 HydrophobicContact CD1-CD1 4.13Å; I238-I265 HydrophobicContact CG1-CB 4.17Å; I238-I265 HydrophobicContact CG1-CD1 4.38Å; I238-I265 HydrophobicContact CG2-CB 4.25Å; I238-I265 HydrophobicContact CG2-CG2 4.43Å; L239-I265 PolarHBondContact N-O 3.11Å; I265-L267 HydrophobicContact CG2-CD2 3.74Å
266	L	93.4	Very high	81.6	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	128.3	173.9	-59.9	-174.2	0	0	0	110.8	G130 V131 L132 L239 A242 I245 L282 F285 A286	G130-L266 PolarHBondContact O-N 2.69Å; V131-L266 CarbonylContact C-O 3.3Å; V131-L266 WeakPolarHBondContact CA-O 3.16Å; V131-L266 HydrophobicContact CG1-CB 4.3Å; V131-L266 HydrophobicContact CG2-CB 4.2Å; V131-L266 HydrophobicContact CG2-CD1 4.32Å; L132-L266 PolarHBondContact N-O 3.18Å; L239-L266 HydrophobicContact CB-CD2 3.72Å; L239-L266 HydrophobicContact CD1-CD2 3.61Å; L239-L266 HydrophobicContact CG-CD2 3.71Å; A242-L266 HydrophobicContact CB-CB 3.8Å; A242-L266 HydrophobicContact CB-CD1 4.42Å; A242-L266 HydrophobicContact CB-CD2 3.91Å; A242-L266 HydrophobicContact CB-CG 4.27Å; I245-L266 HydrophobicContact CD1-CD2 4.41Å; L266-L282 HydrophobicContact CD1-CB 3.89Å; L266-L282 HydrophobicContact CD1-CD2 3.97Å; L266-L282 WeakPolarHBondContact CD1-O 3.39Å; L266-F285 HydrophobicContact CD1-CD1 4.28Å; L266-F285 HydrophobicContact CD2-CD1 3.75Å; L266-F285 HydrophobicContact CD2-CE1 3.89Å; L266-F285 HydrophobicContact CG-CD1 4.39Å; L266-A286 HydrophobicContact CD1-CB 3.99Å; L266-A286 HydrophobicContact CG-CB 4.17Å
267	L	91.9	Very high	81.3	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	133.2	173.6	-36.3	176.4	0	0	0	108.5	L132 K140 I144 W172 I238 L239 D240 E241 A242 I265	L132-L267 HydrophobicContact CB-CD2 4.06Å; L132-L267 HydrophobicContact CD2-CD2 4.3Å; L132-L267 WeakPolarHBondContact O-CA 3.45Å; K140-L267 HydrophobicContact CD-CB 4.35Å; I144-L267 HydrophobicContact CD1-CD2 3.58Å; I144-L267 HydrophobicContact CG1-CD1 3.91Å; I144-L267 HydrophobicContact CG1-CD2 3.6Å; I144-L267 HydrophobicContact CG1-CG 4.42Å; W172-L267 HydrophobicContact CH2-CD1 3.94Å; W172-L267 HydrophobicContact CZ2-CD1 3.87Å; I238-L267 HydrophobicContact CG2-CD1 4.04Å; I238-L267 HydrophobicContact CG2-CD2 4.29Å; I238-L267 HydrophobicContact CG2-CG 4.08Å; L239-L267 PolarHBondContact O-N 3.03Å; D240-L267 HydrophobicContact CB-CD1 4.12Å; E241-L267 PolarHBondContact N-O 3.41Å; A242-L267 WeakPolarHBondContact CB-O 3.26Å; A242-L267 PolarHBondContact N-O 3.27Å; I265-L267 HydrophobicContact CG2-CD2 3.74Å
268	T	87.4	Confident	81.1	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.11	C	C	.	.			trans	-153	144.3	178.2	179.5	0	0	0	0	111.2	V131 L132 A133 K140 T270 P271	V131-T268 HydrophobicContact CG1-CG2 4.14Å; L132-T268 PolarHBondContact O-N 2.98Å; A133-T268 WeakPolarHBondContact CA-O 3.4Å; A133-T268 HydrophobicContact CB-CG2 3.98Å; K140-T268 VanDerWaalsContact CE-O 3.31Å; K140-T268 WeakPolarHBondContact CE-O 3.18Å; K140-T268 PolarHBondContact NZ-O 3.22Å; T268-T270 VanDerWaalsContact C-N 3.35Å; T268-T270 VanDerWaalsContact OG1-C 3.24Å; T268-T270 PolarHBondContact OG1-N 3.11Å; T268-T270 PolarHBondContact OG1-O 2.94Å; T268-P271 HydrophobicContact CG2-CB 3.92Å
269	G	76.9	Confident	80.9	Confident	3 Å²	3	19.8 Å²	19.8	3%	0.031	10%	0.096	C	C	.	.	S	Bend	trans	-74.9	-26.1	166.6	0	0	0	0	0	113.7	M136	M136-G269 VanDerWaalsContact CG-CA 3.43Å
270	T	71.6	Confident	80.8	Confident	22 Å²	22	21 Å²	21	14%	0.135	10%	0.1	C	C	.	.			trans	-141.8	97.1	-171.6	54.3	0	0	0	0	108.2	T268 V272 Q273 A572	T268-T270 VanDerWaalsContact C-N 3.35Å; T268-T270 VanDerWaalsContact OG1-C 3.24Å; T268-T270 PolarHBondContact OG1-N 3.11Å; T268-T270 PolarHBondContact OG1-O 2.94Å; T270-V272 PolarHBondContact O-N 2.95Å; T270-Q273 WeakPolarHBondContact OG1-CG 3.44Å; T270-Q273 PolarHBondContact OG1-NE2 2.86Å; T270-A572 HydrophobicContact CG2-CB 3.96Å
271	P	61.1	Low	80.8	Confident	7 Å²	7	20 Å²	20	5%	0.045	9%	0.094	C	C	.	.	S	Bend	trans	-72.3	-15	-172.6	29	-35.7	0	0	0	114.2	A133 T268 L282 F337	A133-P271 HydrophobicContact CB-CB 3.83Å; A133-P271 HydrophobicContact CB-CG 3.87Å; T268-P271 HydrophobicContact CG2-CB 3.92Å; P271-L282 WeakPolarHBondContact O-CD1 3.49Å; P271-F337 HydrophobicContact CB-CE2 3.73Å; P271-F337 HydrophobicContact CB-CZ 4.25Å; P271-F337 HydrophobicContact CG-CE2 3.95Å; P271-F337 HydrophobicContact CG-CZ 3.95Å
272	V	64.7	Low	80.7	Confident	1 Å²	1	19.9 Å²	19.9	1%	0.006	9%	0.092	C	C	.	.			trans	-133.1	139.4	168.4	-169.5	0	0	0	0	105.6	T270 M279 I616	T270-V272 PolarHBondContact O-N 2.95Å; V272-M279 HydrophobicContact CG2-CB 4.19Å; V272-M279 HydrophobicContact CG2-CE 3.58Å; V272-M279 HydrophobicContact CG2-CG 4.38Å; V272-I616 HydrophobicContact CB-CG1 4.13Å; V272-I616 HydrophobicContact CB-CG2 4.48Å; V272-I616 HydrophobicContact CG1-CG1 4.29Å; V272-I616 WeakPolarHBondContact O-CD1 3.36Å
273	Q	57.7	Low	80.6	Confident	9 Å²	9	14.5 Å²	14.5	4%	0.042	7%	0.069	C	C	.	.	S	Bend	trans	-120.1	-35.6	175.3	-70.3	-173.4	-21.4	0	0	112.3	H243 T270 E278 A572	H243-Q273 PolarHBondContact CD2-NE2 3.38Å; H243-Q273 VanDerWaalsContact CG-NE2 3.28Å; T270-Q273 WeakPolarHBondContact OG1-CG 3.44Å; T270-Q273 PolarHBondContact OG1-NE2 2.86Å; Q273-E278 WeakPolarHBondContact CA-OE2 3.47Å; Q273-E278 PolarHBondContact N-OE2 2.86Å; Q273-A572 HydrophobicContact CG-CB 4.05Å
274	N	60.1	Low	80.5	Confident	23 Å²	23	14.2 Å²	14.2	12%	0.123	7%	0.068	C	C	.	.	S	Bend	trans	-137.3	-38.7	-177.4	-56	-82.9	0	0	0	114.2	K246 E278 K612 L615	K246-N274 PolarHBondContact NZ-ND2 3.38Å; N274-E278 WeakPolarHBondContact CB-OE1 3.44Å; N274-E278 PolarHBondContact N-OE2 3.12Å; N274-E278 PolarHBondContact ND2-OE1 3.34Å; N274-K612 PolarHBondContact OD1-NZ 3.42Å; N274-L615 VanDerWaalsContact O-CD2 3.3Å; N274-L615 WeakPolarHBondContact O-CD2 3.45Å
275	N	70.4	Confident	80.3	Confident	42 Å²	42	13.6 Å²	13.6	23%	0.225	7%	0.065	C	C	.	.			trans	-149.7	149.3	-171.8	-169.9	-2.7	0	0	0	112.9	R277 E278 E303	N275-R277 HydrophobicContact CB-CB 4.4Å; N275-R277 PolarHBondContact O-N 3.07Å; N275-R277 VanDerWaalsContact O-N 3.14Å; N275-R277 PolarHBondContact OD1-N 2.95Å; N275-E278 PolarHBondContact N-OE2 2.8Å; N275-E278 VanDerWaalsContact O-CB 3.3Å; N275-E278 WeakPolarHBondContact O-CB 3.3Å; N275-E278 PolarHBondContact O-N 3.27Å; N275-E303 PolarHBondContact ND2-OE1 3.44Å
276	L	79.6	Confident	79.9	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-50.2	-28.3	164.4	-75.2	174.3	0	0	0	113.1	E278 M279 W280 F298 E303 I306 L329 N619	L276-E278 VanDerWaalsContact C-N 3.3Å; L276-E278 PolarHBondContact O-N 3.48Å; L276-M279 HydrophobicContact CD2-CE 4.1Å; L276-M279 HydrophobicContact CD2-SD 4.25Å; L276-M279 VanDerWaalsContact O-CB 3.3Å; L276-M279 WeakPolarHBondContact O-CB 3.32Å; L276-M279 PolarHBondContact O-N 3.41Å; L276-M279 VanDerWaalsContact O-N 3.14Å; L276-W280 PolarHBondContact O-N 3.16Å; L276-F298 HydrophobicContact CB-CE1 4.04Å; L276-F298 HydrophobicContact CB-CZ 4.25Å; L276-E303 HydrophobicContact CB-CG 4.35Å; L276-I306 HydrophobicContact CD1-CB 4.32Å; L276-I306 HydrophobicContact CD1-CD1 4.19Å; L276-L329 HydrophobicContact CD2-CD2 4.29Å; L276-N619 HydrophobicContact CD2-CB 4.22Å; L276-N619 WeakPolarHBondContact CD2-ND2 3.28Å
277	R	82.2	Confident	79.5	Confident	81 Å²	81	13.5 Å²	13.5	31%	0.306	7%	0.065	S	C	.	.	H	α-helix	trans	-64	-31.4	174.6	-155.5	-178.1	-57.6	164.2	9.8	113.4	N275 T281 K299 E303 E871	N275-R277 HydrophobicContact CB-CB 4.4Å; N275-R277 PolarHBondContact O-N 3.07Å; N275-R277 VanDerWaalsContact O-N 3.14Å; N275-R277 PolarHBondContact OD1-N 2.95Å; R277-T281 PolarHBondContact O-N 3.13Å; R277-T281 VanDerWaalsContact O-N 3.17Å; R277-T281 PolarHBondContact O-OG1 3.41Å; R277-K299 VanDerWaalsContact NH2-NZ 3.19Å; R277-E303 IonicContact CZ-OE1 2.7Å; R277-E303 IonicContact CZ-OE2 2.72Å; R277-E303 IonicContact NE-OE1 3.16Å; R277-E303 PolarHBondContact NE-OE1 3.01Å; R277-E303 IonicContact NE-OE2 2.81Å; R277-E303 PolarHBondContact NE-OE2 3.01Å; R277-E303 IonicContact NH2-OE1 3.27Å; R277-E303 PolarHBondContact NH2-OE1 3.25Å; R277-E303 IonicContact NH2-OE2 2.98Å; R277-E871 IonicContact CZ-OE2 3Å; R277-E871 IonicContact NH1-OE2 3.68Å; R277-E871 IonicContact NH2-OE2 2.71Å; R277-E871 PolarHBondContact NH2-OE2 3.32Å
278	E	82.9	Confident	78.8	Confident	19 Å²	19	16 Å²	16	9%	0.089	8%	0.077	C	C	.	.	H	α-helix	trans	-67.4	-45.2	170.6	-56.6	174.6	148.5	0	0	109.7	K246 Q273 N274 N275 L276 W280 T281 L282	K246-E278 HydrophobicContact CB-CB 4.12Å; K246-E278 HydrophobicContact CB-CG 4.07Å; K246-E278 HydrophobicContact CD-CG 4.49Å; K246-E278 WeakPolarHBondContact CD-OE1 3.47Å; K246-E278 IonicContact NZ-OE1 3.26Å; K246-E278 PolarHBondContact NZ-OE1 3.45Å; Q273-E278 WeakPolarHBondContact CA-OE2 3.47Å; Q273-E278 PolarHBondContact N-OE2 2.86Å; N274-E278 WeakPolarHBondContact CB-OE1 3.44Å; N274-E278 PolarHBondContact N-OE2 3.12Å; N274-E278 PolarHBondContact ND2-OE1 3.34Å; N275-E278 PolarHBondContact N-OE2 2.8Å; N275-E278 VanDerWaalsContact O-CB 3.3Å; N275-E278 WeakPolarHBondContact O-CB 3.3Å; N275-E278 PolarHBondContact O-N 3.27Å; L276-E278 VanDerWaalsContact C-N 3.3Å; L276-E278 PolarHBondContact O-N 3.48Å; E278-W280 PolarHBondContact O-N 2.74Å; E278-T281 WeakPolarHBondContact O-CB 3.49Å; E278-T281 PolarHBondContact O-N 3.33Å; E278-T281 VanDerWaalsContact O-N 3.16Å; E278-L282 WeakPolarHBondContact O-CG 3.35Å; E278-L282 PolarHBondContact O-N 3.41Å
279	M	83.6	Confident	78.1	Confident	13 Å²	13	16.1 Å²	16.1	6%	0.064	8%	0.078	C	C	.	.	H	α-helix	trans	-58.1	-47.8	177	-170	-157.8	-84.1	0	0	111.5	V272 L276 T281 L282 F283 I333 N619	V272-M279 HydrophobicContact CG2-CB 4.19Å; V272-M279 HydrophobicContact CG2-CE 3.58Å; V272-M279 HydrophobicContact CG2-CG 4.38Å; L276-M279 HydrophobicContact CD2-CE 4.1Å; L276-M279 HydrophobicContact CD2-SD 4.25Å; L276-M279 VanDerWaalsContact O-CB 3.3Å; L276-M279 WeakPolarHBondContact O-CB 3.32Å; L276-M279 PolarHBondContact O-N 3.41Å; L276-M279 VanDerWaalsContact O-N 3.14Å; M279-T281 VanDerWaalsContact C-N 3.31Å; M279-T281 PolarHBondContact O-N 3.01Å; M279-L282 PolarHBondContact O-N 2.9Å; M279-F283 HydrophobicContact CG-CD2 3.76Å; M279-F283 HydrophobicContact CG-CE2 3.57Å; M279-F283 VanDerWaalsContact O-CD2 3.28Å; M279-F283 WeakPolarHBondContact O-CD2 3.1Å; M279-F283 PolarHBondContact O-N 3.27Å; M279-F283 HydrophobicContact SD-CD2 4.46Å; M279-F283 HydrophobicContact SD-CE2 4.12Å; M279-I333 HydrophobicContact SD-CD1 3.68Å; M279-N619 HydrophobicContact CE-CB 3.9Å; M279-N619 WeakPolarHBondContact CE-O 3.44Å
280	W	87.9	Confident	77.9	Confident	25 Å²	25	17.6 Å²	17.6	10%	0.095	9%	0.086	C	C	.	.	H	α-helix	trans	-56.2	-45.6	174.9	176	87	0	0	0	111.4	L276 E278 L282 F283 D284 L292 G293 A295 F298	L276-W280 PolarHBondContact O-N 3.16Å; E278-W280 PolarHBondContact O-N 2.74Å; W280-L282 VanDerWaalsContact C-N 3.33Å; W280-L282 PolarHBondContact O-N 3.16Å; W280-F283 PolarHBondContact O-N 3.11Å; W280-D284 HydrophobicContact CD2-CB 4.46Å; W280-D284 HydrophobicContact CH2-CB 4.03Å; W280-D284 HydrophobicContact CZ2-CB 3.94Å; W280-D284 HydrophobicContact CZ3-CB 4.37Å; W280-D284 VanDerWaalsContact O-CB 3.31Å; W280-D284 WeakPolarHBondContact O-CB 3.31Å; W280-D284 PolarHBondContact O-N 2.72Å; W280-L292 PolarHBondContact NE1-O 3.39Å; W280-G293 PolarHBondContact NE1-O 2.74Å; W280-G293 VanDerWaalsContact NE1-O 3.17Å; W280-A295 HydrophobicContact CD2-CB 4.2Å; W280-A295 HydrophobicContact CE3-CB 4.01Å; W280-A295 HydrophobicContact CH2-CB 3.75Å; W280-A295 HydrophobicContact CZ2-CB 3.87Å; W280-A295 VanDerWaalsContact CZ2-N 3.34Å; W280-A295 HydrophobicContact CZ3-CB 3.79Å; W280-F298 HydrophobicContact CB-CD1 3.75Å; W280-F298 HydrophobicContact CB-CD2 4.37Å; W280-F298 HydrophobicContact CB-CE1 3.75Å; W280-F298 HydrophobicContact CB-CE2 4.38Å; W280-F298 HydrophobicContact CB-CG 4.07Å; W280-F298 HydrophobicContact CB-CZ 4.08Å; W280-F298 AromaticContact CD1-CD1 3.94Å; W280-F298 AromaticContact CD1-CD2 3.59Å; W280-F298 AromaticContact CD1-CG 3.38Å; W280-F298 HydrophobicContact CG-CB 4.22Å; W280-F298 AromaticContact CG-CD1 3.95Å; W280-F298 HydrophobicContact CG-CD1 3.95Å; W280-F298 HydrophobicContact CG-CD2 4.3Å; W280-F298 HydrophobicContact CG-CE1 4.44Å; W280-F298 AromaticContact CG-CG 3.88Å; W280-F298 HydrophobicContact CG-CG 3.88Å
281	T	87.6	Confident	78.3	Confident	6 Å²	6	17.9 Å²	17.9	4%	0.037	9%	0.087	C	C	.	.	H	α-helix	trans	-61.3	-39.5	179.3	-57.5	0	0	0	0	112.1	K246 R277 E278 M279 F285	K246-T281 PolarHBondContact O-OG1 2.86Å; R277-T281 PolarHBondContact O-N 3.13Å; R277-T281 VanDerWaalsContact O-N 3.17Å; R277-T281 PolarHBondContact O-OG1 3.41Å; E278-T281 WeakPolarHBondContact O-CB 3.49Å; E278-T281 PolarHBondContact O-N 3.33Å; E278-T281 VanDerWaalsContact O-N 3.16Å; M279-T281 VanDerWaalsContact C-N 3.31Å; M279-T281 PolarHBondContact O-N 3.01Å; T281-F285 WeakPolarHBondContact O-CB 3.5Å; T281-F285 PolarHBondContact O-N 2.85Å
282	L	88.1	Confident	79.2	Confident	7 Å²	7	17.7 Å²	17.7	4%	0.037	9%	0.086	C	C	.	.	H	α-helix	trans	-67.8	-43.2	177.5	-64.6	174.1	0	0	0	112.1	A242 I245 L266 P271 E278 M279 W280 A286	A242-L282 HydrophobicContact CB-CD2 4.28Å; A242-L282 WeakPolarHBondContact O-CD2 3.27Å; I245-L282 HydrophobicContact CD1-CD2 4.22Å; I245-L282 HydrophobicContact CG1-CD2 3.82Å; L266-L282 HydrophobicContact CD1-CB 3.89Å; L266-L282 HydrophobicContact CD1-CD2 3.97Å; L266-L282 WeakPolarHBondContact CD1-O 3.39Å; P271-L282 WeakPolarHBondContact O-CD1 3.49Å; E278-L282 WeakPolarHBondContact O-CG 3.35Å; E278-L282 PolarHBondContact O-N 3.41Å; M279-L282 PolarHBondContact O-N 2.9Å; W280-L282 VanDerWaalsContact C-N 3.33Å; W280-L282 PolarHBondContact O-N 3.16Å; L282-A286 WeakPolarHBondContact O-CB 3.41Å; L282-A286 PolarHBondContact O-N 3.45Å
283	F	88.1	Confident	80.1	Confident	6 Å²	6	17.8 Å²	17.8	3%	0.026	9%	0.086	C	C	.	.	H	α-helix	trans	-73.8	-33.8	177.3	-74.3	-67.1	0	0	0	113.5	V131 M279 W280 A286 C287 L291 L292 I333 F337	V131-F283 HydrophobicContact CB-CE1 4.2Å; V131-F283 HydrophobicContact CB-CZ 4.44Å; V131-F283 HydrophobicContact CG2-CD1 3.95Å; V131-F283 HydrophobicContact CG2-CE1 3.49Å; V131-F283 VanDerWaalsContact CG2-CE1 3.49Å; V131-F283 HydrophobicContact CG2-CZ 3.98Å; M279-F283 HydrophobicContact CG-CD2 3.76Å; M279-F283 HydrophobicContact CG-CE2 3.57Å; M279-F283 VanDerWaalsContact O-CD2 3.28Å; M279-F283 WeakPolarHBondContact O-CD2 3.1Å; M279-F283 PolarHBondContact O-N 3.27Å; M279-F283 HydrophobicContact SD-CD2 4.46Å; M279-F283 HydrophobicContact SD-CE2 4.12Å; W280-F283 PolarHBondContact O-N 3.11Å; F283-A286 PolarHBondContact O-N 3.01Å; F283-C287 VanDerWaalsContact O-CB 3.24Å; F283-C287 WeakPolarHBondContact O-CB 3.38Å; F283-C287 PolarHBondContact O-N 3.29Å; F283-L291 HydrophobicContact CD1-CD2 4.41Å; F283-L292 HydrophobicContact CB-CD1 3.71Å; F283-L292 HydrophobicContact CB-CG 4.43Å; F283-L292 HydrophobicContact CD2-CD1 4.21Å; F283-L292 HydrophobicContact CG-CD1 4.26Å; F283-I333 HydrophobicContact CD2-CD1 3.9Å; F283-I333 HydrophobicContact CD2-CG1 4.28Å; F283-I333 HydrophobicContact CE1-CG2 3.9Å; F283-I333 HydrophobicContact CE2-CD1 3.73Å; F283-I333 HydrophobicContact CE2-CG1 4.13Å; F283-I333 HydrophobicContact CE2-CG2 3.76Å; F283-I333 HydrophobicContact CZ-CB 4.42Å; F283-I333 HydrophobicContact CZ-CD1 4.38Å; F283-I333 HydrophobicContact CZ-CG1 4.35Å; F283-I333 HydrophobicContact CZ-CG2 3.32Å; F283-F337 HydrophobicContact CE1-CB 4.15Å; F283-F337 HydrophobicContact CE1-CD2 4.47Å; F283-F337 HydrophobicContact CZ-CB 3.93Å; F283-F337 AromaticContact CZ-CD2 3.72Å; F283-F337 HydrophobicContact CZ-CD2 3.72Å; F283-F337 HydrophobicContact CZ-CG 4.13Å
284	D	88.4	Confident	81.3	Confident	18 Å²	18	20 Å²	20	10%	0.096	10%	0.1	C	C	.	.	H	α-helix	trans	-60.8	-46.7	170.5	174.9	78.6	0	0	0	110.8	Y257 W280 Q288 G289	Y257-D284 VanDerWaalsContact CE1-OD2 3.24Å; Y257-D284 WeakPolarHBondContact CE1-OD2 3.44Å; Y257-D284 VanDerWaalsContact CZ-OD2 3.26Å; Y257-D284 PolarHBondContact OH-OD2 2.9Å; W280-D284 HydrophobicContact CD2-CB 4.46Å; W280-D284 HydrophobicContact CH2-CB 4.03Å; W280-D284 HydrophobicContact CZ2-CB 3.94Å; W280-D284 HydrophobicContact CZ3-CB 4.37Å; W280-D284 VanDerWaalsContact O-CB 3.31Å; W280-D284 WeakPolarHBondContact O-CB 3.31Å; W280-D284 PolarHBondContact O-N 2.72Å; D284-Q288 CarbonylContact O-C 3.5Å; D284-Q288 VanDerWaalsContact O-CA 3.25Å; D284-Q288 WeakPolarHBondContact O-CA 3.46Å; D284-Q288 PolarHBondContact O-N 2.7Å; D284-G289 PolarHBondContact O-N 3.33Å; D284-G289 WeakPolarHBondContact OD1-CA 3.03Å
285	F	88.6	Confident	82.5	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.6	-47	176	179.9	-89	0	0	0	112.6	M237 L239 I245 A256 Y257 R264 L266 T281	M237-F285 HydrophobicContact CE-CZ 4.29Å; M237-F285 HydrophobicContact SD-CZ 4.17Å; L239-F285 HydrophobicContact CD1-CD1 4.24Å; L239-F285 HydrophobicContact CD1-CE1 3.6Å; L239-F285 HydrophobicContact CD1-CZ 3.86Å; L239-F285 HydrophobicContact CG-CE1 4.15Å; I245-F285 HydrophobicContact CD1-CB 3.93Å; I245-F285 HydrophobicContact CD1-CD1 3.76Å; I245-F285 HydrophobicContact CD1-CD2 4.01Å; I245-F285 HydrophobicContact CD1-CE1 4.31Å; I245-F285 HydrophobicContact CD1-CG 3.59Å; A256-F285 HydrophobicContact CB-CE2 3.65Å; A256-F285 HydrophobicContact CB-CZ 4.04Å; Y257-F285 HydrophobicContact CD1-CD2 4.05Å; Y257-F285 AromaticContact CD2-CD2 3.95Å; Y257-F285 HydrophobicContact CD2-CD2 3.95Å; Y257-F285 HydrophobicContact CE1-CB 4.22Å; Y257-F285 HydrophobicContact CE1-CD2 4.01Å; Y257-F285 HydrophobicContact CE2-CB 4.42Å; Y257-F285 AromaticContact CE2-CD2 3.88Å; Y257-F285 HydrophobicContact CE2-CD2 3.88Å; Y257-F285 HydrophobicContact CG-CD2 4.03Å; Y257-F285 HydrophobicContact CG-CE2 4.42Å; Y257-F285 AromaticContact CZ-CD2 3.93Å; R264-F285 HydrophobicContact CB-CE1 4.3Å; R264-F285 WeakPolarHBondContact CD-O 3.37Å; R264-F285 HydrophobicContact CG-CE1 4.22Å; R264-F285 PolarHBondContact NH1-O 3.45Å; R264-F285 VanDerWaalsContact NH1-O 3.12Å; L266-F285 HydrophobicContact CD1-CD1 4.28Å; L266-F285 HydrophobicContact CD2-CD1 3.75Å; L266-F285 HydrophobicContact CD2-CE1 3.89Å; L266-F285 HydrophobicContact CG-CD1 4.39Å; T281-F285 WeakPolarHBondContact O-CB 3.5Å; T281-F285 PolarHBondContact O-N 2.85Å
286	A	86.6	Confident	83.3	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-69.7	-45.4	-176.5	0	0	0	0	0	112.7	L266 L282 F283 Q288	L266-A286 HydrophobicContact CD1-CB 3.99Å; L266-A286 HydrophobicContact CG-CB 4.17Å; L282-A286 WeakPolarHBondContact O-CB 3.41Å; L282-A286 PolarHBondContact O-N 3.45Å; F283-A286 PolarHBondContact O-N 3.01Å; A286-Q288 VanDerWaalsContact C-N 3.34Å
287	C	84	Confident	83.6	Confident	2 Å²	2	28.5 Å²	28.5	1%	0.014	15%	0.145	C	C	.	.	H	α-helix	trans	-90.1	4.5	-179.1	-58	0	0	0	0	113.2	F283 G289 T290 L291	F283-C287 VanDerWaalsContact O-CB 3.24Å; F283-C287 WeakPolarHBondContact O-CB 3.38Å; F283-C287 PolarHBondContact O-N 3.29Å; C287-G289 PolarHBondContact O-N 2.89Å; C287-T290 PolarHBondContact O-N 2.7Å; C287-T290 VanDerWaalsContact O-N 3.16Å; C287-T290 PolarHBondContact O-OG1 3.15Å; C287-T290 VanDerWaalsContact O-OG1 3.11Å; C287-L291 HydrophobicContact CB-CB 3.91Å
288	Q	77.9	Confident	83.9	Confident	53 Å²	53	24.7 Å²	24.7	25%	0.248	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	37.3	-178.5	-53.6	174.6	0.4	0	0	112.5	R128 S261 K262 D284 A286 T290	R128-Q288 VanDerWaalsContact CD-OE1 3.27Å; S261-Q288 PolarHBondContact O-NE2 3.22Å; S261-Q288 VanDerWaalsContact O-NE2 3.08Å; K262-Q288 PolarHBondContact O-NE2 2.99Å; D284-Q288 CarbonylContact O-C 3.5Å; D284-Q288 VanDerWaalsContact O-CA 3.25Å; D284-Q288 WeakPolarHBondContact O-CA 3.46Å; D284-Q288 PolarHBondContact O-N 2.7Å; A286-Q288 VanDerWaalsContact C-N 3.34Å; Q288-T290 VanDerWaalsContact C-N 3.33Å; Q288-T290 PolarHBondContact O-N 3.38Å
289	G	72.8	Confident	84.1	Confident	2 Å²	2	26 Å²	26	2%	0.021	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	3.6	-178.9	0	0	0	0	0	116.7	D284 C287 L291	D284-G289 PolarHBondContact O-N 3.33Å; D284-G289 WeakPolarHBondContact OD1-CA 3.03Å; C287-G289 PolarHBondContact O-N 2.89Å; G289-L291 VanDerWaalsContact C-N 3.31Å; G289-L291 PolarHBondContact O-N 3.13Å
290	T	72.4	Confident	84.3	Confident	33 Å²	33	29.3 Å²	29.3	20%	0.202	16%	0.157	C	C	.	.	S	Bend	trans	-86.4	16.1	-175.5	77.4	0	0	0	0	115.1	C287 Q288 S723 M727	C287-T290 PolarHBondContact O-N 2.7Å; C287-T290 VanDerWaalsContact O-N 3.16Å; C287-T290 PolarHBondContact O-OG1 3.15Å; C287-T290 VanDerWaalsContact O-OG1 3.11Å; Q288-T290 VanDerWaalsContact C-N 3.33Å; Q288-T290 PolarHBondContact O-N 3.38Å; T290-S723 VanDerWaalsContact CA-OG 3.3Å; T290-S723 WeakPolarHBondContact CA-OG 3.35Å; T290-S723 PolarHBondContact O-OG 3.08Å; T290-M727 HydrophobicContact CG2-CG 3.59Å; T290-M727 HydrophobicContact CG2-SD 4.19Å
291	L	78.8	Confident	84.3	Confident	28 Å²	28	28.6 Å²	28.6	15%	0.147	16%	0.155	C	C	.	.	S	Bend	trans	-124.8	-52.7	-174	-172.6	63.7	0	0	0	114.7	F283 C287 G289 Y336	F283-L291 HydrophobicContact CD1-CD2 4.41Å; C287-L291 HydrophobicContact CB-CB 3.91Å; G289-L291 VanDerWaalsContact C-N 3.31Å; G289-L291 PolarHBondContact O-N 3.13Å; L291-Y336 HydrophobicContact CD1-CD2 4.16Å; L291-Y336 HydrophobicContact CD1-CE2 3.71Å; L291-Y336 HydrophobicContact CD2-CD2 3.81Å; L291-Y336 HydrophobicContact CD2-CE2 4.15Å; L291-Y336 HydrophobicContact CD2-CG 4.18Å
292	L	80.8	Confident	84.3	Confident	4 Å²	4	28.3 Å²	28.3	2%	0.021	15%	0.153	C	C	.	.	S	Bend	trans	-113.1	19.7	-168	-59.7	-179.8	0	0	0	114.2	W280 F283 F298 L329 I333 M719	W280-L292 PolarHBondContact NE1-O 3.39Å; F283-L292 HydrophobicContact CB-CD1 3.71Å; F283-L292 HydrophobicContact CB-CG 4.43Å; F283-L292 HydrophobicContact CD2-CD1 4.21Å; F283-L292 HydrophobicContact CG-CD1 4.26Å; L292-F298 HydrophobicContact CB-CD2 4.34Å; L292-F298 HydrophobicContact CD1-CE2 4.25Å; L292-L329 HydrophobicContact CD2-CD1 3.85Å; L292-I333 HydrophobicContact CD1-CD1 4.32Å; L292-I333 HydrophobicContact CD2-CG1 4.4Å; L292-M719 HydrophobicContact CB-CE 4.13Å; L292-M719 HydrophobicContact CD2-CE 4.12Å; L292-M719 HydrophobicContact CD2-SD 4.34Å; L292-M719 WeakPolarHBondContact O-CE 3.09Å
293	G	82.7	Confident	84.2	Confident	2 Å²	2	28.4 Å²	28.4	2%	0.021	15%	0.153	C	C	.	.			trans	54.7	-156.5	-177.7	0	0	0	0	0	113.5	W280	W280-G293 PolarHBondContact NE1-O 2.74Å; W280-G293 VanDerWaalsContact NE1-O 3.17Å
294	T	84.9	Confident	84.1	Confident	55 Å²	55	31.8 Å²	31.8	34%	0.337	17%	0.171	S	C	.	.			trans	-79.1	151	179.8	65.8	0	0	0	0	112.7	K296 T297 F298 E722	T294-K296 PolarHBondContact O-N 2.81Å; T294-K296 VanDerWaalsContact O-N 3.07Å; T294-T297 PolarHBondContact O-N 2.99Å; T294-T297 VanDerWaalsContact O-N 3.12Å; T294-T297 PolarHBondContact OG1-OG1 3.21Å; T294-F298 PolarHBondContact O-N 3.35Å; T294-E722 WeakPolarHBondContact CB-OE2 3.44Å; T294-E722 WeakPolarHBondContact CG2-OE2 3.31Å; T294-E722 PolarHBondContact N-OE2 3.31Å; T294-E722 PolarHBondContact OG1-OE2 3.28Å
295	A	84.7	Confident	84	Confident	44 Å²	44	31.8 Å²	31.8	36%	0.364	17%	0.173	S	C	.	.	H	α-helix	trans	-54.7	-29.5	177.6	0	0	0	0	0	114.2	W280 K299	W280-A295 HydrophobicContact CD2-CB 4.2Å; W280-A295 HydrophobicContact CE3-CB 4.01Å; W280-A295 HydrophobicContact CH2-CB 3.75Å; W280-A295 HydrophobicContact CZ2-CB 3.87Å; W280-A295 VanDerWaalsContact CZ2-N 3.34Å; W280-A295 HydrophobicContact CZ3-CB 3.79Å; A295-K299 WeakPolarHBondContact O-CB 3.5Å; A295-K299 PolarHBondContact O-N 2.8Å
296	K	86.2	Confident	83.8	Confident	175 Å²	175	31.9 Å²	31.9	76%	0.761	17%	0.173	S	C	*	.	H	α-helix	trans	-72.9	-44.9	178.6	-67.6	-175.5	178.5	-178	0	111.7	T294 K299 T300	T294-K296 PolarHBondContact O-N 2.81Å; T294-K296 VanDerWaalsContact O-N 3.07Å; K296-K299 PolarHBondContact O-N 2.82Å; K296-T300 WeakPolarHBondContact O-CB 3.28Å; K296-T300 PolarHBondContact O-N 3.02Å; K296-T300 PolarHBondContact O-OG1 2.82Å
297	T	86.8	Confident	83.5	Confident	26 Å²	26	34.5 Å²	34.5	16%	0.16	19%	0.189	C	C	.	.	H	α-helix	trans	-68.9	-40.7	177.7	-60.6	0	0	0	0	110.3	T294 T300 E301 L718 E722	T294-T297 PolarHBondContact O-N 2.99Å; T294-T297 VanDerWaalsContact O-N 3.12Å; T294-T297 PolarHBondContact OG1-OG1 3.21Å; T297-T300 PolarHBondContact O-N 3.01Å; T297-E301 PolarHBondContact O-N 2.97Å; T297-L718 HydrophobicContact CG2-CB 4.33Å; T297-E722 VanDerWaalsContact CB-OE1 3.32Å; T297-E722 WeakPolarHBondContact CB-OE1 3.24Å; T297-E722 PolarHBondContact OG1-OE1 3.19Å; T297-E722 PolarHBondContact OG1-OE2 3Å
298	F	88.6	Confident	83.4	Confident	1 Å²	1	38 Å²	38	0%	0.004	20%	0.202	C	C	.	.	H	α-helix	trans	-59.5	-47	169.5	-174.8	-91.1	0	0	0	112.7	L276 W280 L292 T294 T300 Y302 E303 L329 M719	L276-F298 HydrophobicContact CB-CE1 4.04Å; L276-F298 HydrophobicContact CB-CZ 4.25Å; W280-F298 HydrophobicContact CB-CD1 3.75Å; W280-F298 HydrophobicContact CB-CD2 4.37Å; W280-F298 HydrophobicContact CB-CE1 3.75Å; W280-F298 HydrophobicContact CB-CE2 4.38Å; W280-F298 HydrophobicContact CB-CG 4.07Å; W280-F298 HydrophobicContact CB-CZ 4.08Å; W280-F298 AromaticContact CD1-CD1 3.94Å; W280-F298 AromaticContact CD1-CD2 3.59Å; W280-F298 AromaticContact CD1-CG 3.38Å; W280-F298 HydrophobicContact CG-CB 4.22Å; W280-F298 AromaticContact CG-CD1 3.95Å; W280-F298 HydrophobicContact CG-CD1 3.95Å; W280-F298 HydrophobicContact CG-CD2 4.3Å; W280-F298 HydrophobicContact CG-CE1 4.44Å; W280-F298 AromaticContact CG-CG 3.88Å; W280-F298 HydrophobicContact CG-CG 3.88Å; L292-F298 HydrophobicContact CB-CD2 4.34Å; L292-F298 HydrophobicContact CD1-CE2 4.25Å; T294-F298 PolarHBondContact O-N 3.35Å; F298-T300 VanDerWaalsContact C-N 3.27Å; F298-T300 PolarHBondContact O-N 2.85Å; F298-Y302 HydrophobicContact CD2-CD2 4.48Å; F298-Y302 PolarHBondContact O-N 3.23Å; F298-E303 HydrophobicContact CD1-CB 4.47Å; F298-E303 HydrophobicContact CE1-CB 4.35Å; F298-E303 PolarHBondContact O-N 3.08Å; F298-L329 HydrophobicContact CE2-CD1 3.94Å; F298-L329 HydrophobicContact CE2-CD2 4.08Å; F298-L329 HydrophobicContact CZ-CD2 4.13Å; F298-M719 HydrophobicContact CD2-CE 3.66Å; F298-M719 HydrophobicContact CE2-CE 4.39Å
299	K	87.4	Confident	83.4	Confident	47 Å²	47	35.7 Å²	35.7	20%	0.204	19%	0.192	C	C	.	.	I	π-helix	trans	-60.7	-39.9	178.1	-175.7	167.6	-175.8	-177.4	0	111.5	R277 A295 K296 E303 N304 E871	R277-K299 VanDerWaalsContact NH2-NZ 3.19Å; A295-K299 WeakPolarHBondContact O-CB 3.5Å; A295-K299 PolarHBondContact O-N 2.8Å; K296-K299 PolarHBondContact O-N 2.82Å; K299-E303 HydrophobicContact CB-CB 4.26Å; K299-E303 HydrophobicContact CG-CB 4.06Å; K299-E303 HydrophobicContact CG-CG 4.42Å; K299-N304 WeakPolarHBondContact O-CB 3.48Å; K299-N304 PolarHBondContact O-N 3.44Å; K299-N304 PolarHBondContact O-ND2 3.11Å; K299-N304 PolarHBondContact O-OD1 3.38Å; K299-E871 IonicContact NZ-OE1 3.53Å; K299-E871 PolarHBondContact NZ-OE1 2.87Å; K299-E871 IonicContact NZ-OE2 3.28Å; K299-E871 PolarHBondContact NZ-OE2 2.88Å
300	T	87.6	Confident	83.2	Confident	82 Å²	82	36.6 Å²	36.6	50%	0.503	20%	0.195	S	C	.	.	I	π-helix	trans	-76.4	-46	-174.3	-52.4	0	0	0	0	113.1	K296 T297 F298 P305	K296-T300 WeakPolarHBondContact O-CB 3.28Å; K296-T300 PolarHBondContact O-N 3.02Å; K296-T300 PolarHBondContact O-OG1 2.82Å; T297-T300 PolarHBondContact O-N 3.01Å; F298-T300 VanDerWaalsContact C-N 3.27Å; F298-T300 PolarHBondContact O-N 2.85Å; T300-P305 WeakPolarHBondContact O-CD 3.28Å
301	E	88	Confident	83.1	Confident	10 Å²	10	36.2 Å²	36.2	5%	0.047	19%	0.191	C	C	.	.	I	π-helix	trans	-93.9	-20	-173.2	-57.9	-72	-153.4	0	0	113.6	T297 P305 R711 K714 A715 L718	T297-E301 PolarHBondContact O-N 2.97Å; E301-P305 WeakPolarHBondContact O-CG 3.41Å; E301-R711 IonicContact OE1-NH1 3.84Å; E301-R711 PolarHBondContact OE1-NH1 3.17Å; E301-R711 IonicContact OE2-CZ 2.87Å; E301-R711 IonicContact OE2-NH1 2.76Å; E301-R711 PolarHBondContact OE2-NH1 3.39Å; E301-R711 IonicContact OE2-NH2 3.69Å; E301-R711 PolarHBondContact OE2-NH2 3.04Å; E301-K714 IonicContact OE1-NZ 3.32Å; E301-K714 PolarHBondContact OE1-NZ 3.36Å; E301-A715 HydrophobicContact CB-CB 3.94Å; E301-A715 HydrophobicContact CG-CB 4.48Å; E301-L718 HydrophobicContact CG-CD1 4.48Å
302	Y	86.6	Confident	82.6	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.	I	π-helix	trans	-125.1	-51.8	179.4	-67.3	-91.9	0	0	0	114.9	F298 N304 I306 M325 N328 L329 A715 M719	F298-Y302 HydrophobicContact CD2-CD2 4.48Å; F298-Y302 PolarHBondContact O-N 3.23Å; Y302-N304 PolarHBondContact O-N 3.12Å; Y302-I306 HydrophobicContact CD1-CD1 4.3Å; Y302-I306 WeakPolarHBondContact O-CD1 3.2Å; Y302-I306 WeakPolarHBondContact O-CG1 3.33Å; Y302-I306 PolarHBondContact O-N 2.97Å; Y302-M325 HydrophobicContact CD1-CB 4.47Å; Y302-M325 HydrophobicContact CD1-SD 4.39Å; Y302-M325 HydrophobicContact CE1-SD 4.18Å; Y302-N328 PolarHBondContact OH-OD1 2.79Å; Y302-L329 HydrophobicContact CD1-CB 3.84Å; Y302-L329 HydrophobicContact CD1-CD1 4.37Å; Y302-L329 HydrophobicContact CD1-CD2 4.24Å; Y302-L329 HydrophobicContact CD1-CG 4.37Å; Y302-L329 HydrophobicContact CE1-CB 3.86Å; Y302-A715 HydrophobicContact CE2-CB 3.79Å; Y302-M719 HydrophobicContact CD2-CE 3.41Å; Y302-M719 VanDerWaalsContact CD2-CE 3.41Å; Y302-M719 HydrophobicContact CD2-SD 4.31Å; Y302-M719 HydrophobicContact CE2-CE 3.22Å; Y302-M719 HydrophobicContact CE2-CG 4.34Å; Y302-M719 HydrophobicContact CE2-SD 3.5Å; Y302-M719 WeakPolarHBondContact CE2-SD 3.04Å; Y302-M719 HydrophobicContact CG-CE 4.39Å
303	E	86.1	Confident	82.3	Confident	9 Å²	9	44.3 Å²	44.3	4%	0.042	23%	0.229	C	C	.	.	I	π-helix	trans	-60.2	-48.6	-176.9	-166.1	-177.3	151.8	0	0	111.1	N275 L276 R277 F298 K299 T307	N275-E303 PolarHBondContact ND2-OE1 3.44Å; L276-E303 HydrophobicContact CB-CG 4.35Å; R277-E303 IonicContact CZ-OE1 2.7Å; R277-E303 IonicContact CZ-OE2 2.72Å; R277-E303 IonicContact NE-OE1 3.16Å; R277-E303 PolarHBondContact NE-OE1 3.01Å; R277-E303 IonicContact NE-OE2 2.81Å; R277-E303 PolarHBondContact NE-OE2 3.01Å; R277-E303 IonicContact NH2-OE1 3.27Å; R277-E303 PolarHBondContact NH2-OE1 3.25Å; R277-E303 IonicContact NH2-OE2 2.98Å; F298-E303 HydrophobicContact CD1-CB 4.47Å; F298-E303 HydrophobicContact CE1-CB 4.35Å; F298-E303 PolarHBondContact O-N 3.08Å; K299-E303 HydrophobicContact CB-CB 4.26Å; K299-E303 HydrophobicContact CG-CB 4.06Å; K299-E303 HydrophobicContact CG-CG 4.42Å; E303-T307 WeakPolarHBondContact O-CB 3.24Å; E303-T307 PolarHBondContact O-N 3.38Å; E303-T307 VanDerWaalsContact O-N 3.07Å; E303-T307 PolarHBondContact O-OG1 2.84Å
304	N	87	Confident	82.1	Confident	76 Å²	76	44.6 Å²	44.6	41%	0.406	23%	0.231	S	C	.	.	H	α-helix	trans	-68.2	-52	-177.3	-68	-14	0	0	0	112.9	K299 Y302 T307 R308	K299-N304 WeakPolarHBondContact O-CB 3.48Å; K299-N304 PolarHBondContact O-N 3.44Å; K299-N304 PolarHBondContact O-ND2 3.11Å; K299-N304 PolarHBondContact O-OD1 3.38Å; Y302-N304 PolarHBondContact O-N 3.12Å; N304-T307 PolarHBondContact O-N 2.82Å; N304-R308 WeakPolarHBondContact O-CB 3.38Å; N304-R308 PolarHBondContact O-N 2.99Å
305	P	85.6	Confident	82	Confident	19 Å²	19	45.5 Å²	45.5	12%	0.123	24%	0.237	C	C	.	.	H	α-helix	trans	-64	-44.7	-177.5	-24.9	37.7	0	0	0	112.7	T300 E301 T307 R308 A309	T300-P305 WeakPolarHBondContact O-CD 3.28Å; E301-P305 WeakPolarHBondContact O-CG 3.41Å; P305-T307 VanDerWaalsContact C-N 3.29Å; P305-T307 PolarHBondContact O-N 2.72Å; P305-R308 PolarHBondContact O-N 2.93Å; P305-A309 WeakPolarHBondContact O-CB 3.29Å; P305-A309 PolarHBondContact O-N 2.85Å
306	I	84.1	Confident	81.7	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-70.2	-29.9	-179.4	-45	165.7	0	0	0	110.3	L276 Y302 R310 M325 L329	L276-I306 HydrophobicContact CD1-CB 4.32Å; L276-I306 HydrophobicContact CD1-CD1 4.19Å; Y302-I306 HydrophobicContact CD1-CD1 4.3Å; Y302-I306 WeakPolarHBondContact O-CD1 3.2Å; Y302-I306 WeakPolarHBondContact O-CG1 3.33Å; Y302-I306 PolarHBondContact O-N 2.97Å; I306-R310 VanDerWaalsContact O-CG 3.31Å; I306-R310 WeakPolarHBondContact O-CG 3.17Å; I306-R310 PolarHBondContact O-N 2.92Å; I306-R310 PolarHBondContact O-NH1 3.38Å; I306-M325 HydrophobicContact CD1-CB 4.18Å; I306-M325 HydrophobicContact CG1-CB 3.79Å; I306-L329 HydrophobicContact CD1-CD2 4.27Å
307	T	81.1	Confident	81.4	Confident	55 Å²	55	40.8 Å²	40.8	34%	0.337	23%	0.227	S	C	.	.	H	α-helix	trans	-72.9	-45.9	174.7	-56.9	0	0	0	0	112.6	E303 N304 P305 A309 R310	E303-T307 WeakPolarHBondContact O-CB 3.24Å; E303-T307 PolarHBondContact O-N 3.38Å; E303-T307 VanDerWaalsContact O-N 3.07Å; E303-T307 PolarHBondContact O-OG1 2.84Å; N304-T307 PolarHBondContact O-N 2.82Å; P305-T307 VanDerWaalsContact C-N 3.29Å; P305-T307 PolarHBondContact O-N 2.72Å; T307-A309 VanDerWaalsContact C-N 3.3Å; T307-A309 PolarHBondContact O-N 3.24Å; T307-R310 VanDerWaalsContact CA-NH1 3.29Å; T307-R310 PolarHBondContact O-N 2.86Å; T307-R310 VanDerWaalsContact O-N 3.14Å; T307-R310 PolarHBondContact OG1-NH1 3.13Å; T307-R310 VanDerWaalsContact OG1-NH1 3.1Å
308	R	81.2	Confident	81.2	Confident	76 Å²	76	42.1 Å²	42.1	29%	0.287	23%	0.231	S	C	.	.	H	α-helix	trans	-59	-43.8	174	177.4	56.1	-173.7	153.5	14.3	111.2	N304 P305 R310 E311 D313 A314 E318	N304-R308 WeakPolarHBondContact O-CB 3.38Å; N304-R308 PolarHBondContact O-N 2.99Å; P305-R308 PolarHBondContact O-N 2.93Å; R308-R310 PolarHBondContact O-N 3.3Å; R308-E311 WeakPolarHBondContact CD-OE2 3.31Å; R308-E311 IonicContact CZ-OE2 2.62Å; R308-E311 IonicContact NE-OE2 3.85Å; R308-E311 IonicContact NH1-OE2 3.69Å; R308-E311 PolarHBondContact NH1-OE2 3.22Å; R308-E311 PolarHBondContact O-N 2.97Å; R308-E311 VanDerWaalsContact O-N 3.08Å; R308-D313 IonicContact CZ-OD2 3.99Å; R308-D313 IonicContact NH1-OD2 3.68Å; R308-D313 PolarHBondContact NH1-OD2 3.36Å; R308-D313 PolarHBondContact NH2-O 2.89Å; R308-D313 IonicContact NH2-OD2 2.77Å; R308-D313 PolarHBondContact NH2-OD2 3.44Å; R308-A314 WeakPolarHBondContact O-CB 3.48Å; R308-E318 WeakPolarHBondContact CG-OE1 3.4Å; R308-E318 IonicContact CZ-OE1 3.9Å; R308-E318 IonicContact CZ-OE2 3.39Å; R308-E318 IonicContact NE-OE1 3.28Å; R308-E318 PolarHBondContact NE-OE1 2.66Å; R308-E318 IonicContact NE-OE2 3Å; R308-E318 IonicContact NH2-OE1 3.19Å; R308-E318 IonicContact NH2-OE2 3.18Å; R308-E318 PolarHBondContact NH2-OE2 3.35Å
309	A	79.1	Confident	80.8	Confident	4 Å²	4	44.3 Å²	44.3	3%	0.033	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-20.6	177.7	0	0	0	0	0	114.9	P305 T307 E318 R628	P305-A309 WeakPolarHBondContact O-CB 3.29Å; P305-A309 PolarHBondContact O-N 2.85Å; T307-A309 VanDerWaalsContact C-N 3.3Å; T307-A309 PolarHBondContact O-N 3.24Å; A309-E318 WeakPolarHBondContact CB-O 3.4Å; A309-R628 PolarHBondContact O-NH1 3.08Å; A309-R628 PolarHBondContact O-NH2 2.8Å
310	R	67.5	Low	80.6	Confident	20 Å²	20	42.6 Å²	42.6	8%	0.075	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-16.8	177.9	-69.8	173.5	-154.8	117.2	-4.4	114	I306 T307 R308 L615 N619 R628	I306-R310 VanDerWaalsContact O-CG 3.31Å; I306-R310 WeakPolarHBondContact O-CG 3.17Å; I306-R310 PolarHBondContact O-N 2.92Å; I306-R310 PolarHBondContact O-NH1 3.38Å; T307-R310 VanDerWaalsContact CA-NH1 3.29Å; T307-R310 PolarHBondContact O-N 2.86Å; T307-R310 VanDerWaalsContact O-N 3.14Å; T307-R310 PolarHBondContact OG1-NH1 3.13Å; T307-R310 VanDerWaalsContact OG1-NH1 3.1Å; R308-R310 PolarHBondContact O-N 3.3Å; R310-L615 VanDerWaalsContact NH1-CD1 3.33Å; R310-N619 PolarHBondContact NH2-ND2 2.64Å; R310-N619 PolarHBondContact NH2-OD1 2.71Å; R310-R628 PolarHBondContact O-NH1 2.92Å
311	E	70.4	Confident	80.4	Confident	26 Å²	26	39.9 Å²	39.9	12%	0.121	22%	0.218	C	C	.	.	S	Bend	trans	-64.6	152	-179.9	-64.2	-179.7	141.9	0	0	110.6	R308 D313 A314 R628 R632	R308-E311 WeakPolarHBondContact CD-OE2 3.31Å; R308-E311 IonicContact CZ-OE2 2.62Å; R308-E311 IonicContact NE-OE2 3.85Å; R308-E311 IonicContact NH1-OE2 3.69Å; R308-E311 PolarHBondContact NH1-OE2 3.22Å; R308-E311 PolarHBondContact O-N 2.97Å; R308-E311 VanDerWaalsContact O-N 3.08Å; E311-D313 VanDerWaalsContact C-N 3.3Å; E311-D313 PolarHBondContact O-N 3.17Å; E311-A314 VanDerWaalsContact O-CB 3.27Å; E311-A314 WeakPolarHBondContact O-CB 3.31Å; E311-A314 PolarHBondContact O-N 3.41Å; E311-R628 PolarHBondContact O-NH1 3.12Å; E311-R632 WeakPolarHBondContact OE1-CD 3.37Å; E311-R632 IonicContact OE1-CZ 3.86Å; E311-R632 IonicContact OE1-NE 2.74Å; E311-R632 IonicContact OE1-NH1 3.72Å; E311-R632 PolarHBondContact OE1-NH1 3.14Å
312	K	68.3	Low	80.1	Confident	106 Å²	106	39.5 Å²	39.5	46%	0.461	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-27.7	-173.1	-169	-173.6	-172.3	171.8	0	111.9	E634	K312-E634 IonicContact NZ-OE1 2.61Å; K312-E634 PolarHBondContact NZ-OE1 2.73Å; K312-E634 IonicContact NZ-OE2 3.64Å; K312-E634 PolarHBondContact NZ-OE2 3.02Å
313	D	75.1	Confident	79.9	Confident	95 Å²	95	40.9 Å²	40.9	51%	0.508	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	6.7	176.3	58.5	-71.8	0	0	0	113.6	R308 E311	R308-D313 IonicContact CZ-OD2 3.99Å; R308-D313 IonicContact NH1-OD2 3.68Å; R308-D313 PolarHBondContact NH1-OD2 3.36Å; R308-D313 PolarHBondContact NH2-O 2.89Å; R308-D313 IonicContact NH2-OD2 2.77Å; R308-D313 PolarHBondContact NH2-OD2 3.44Å; E311-D313 VanDerWaalsContact C-N 3.3Å; E311-D313 PolarHBondContact O-N 3.17Å
314	A	77.6	Confident	79.7	Confident	8 Å²	8	44.9 Å²	44.9	7%	0.066	24%	0.241	C	C	.	.			trans	-66.7	132.9	175.6	0	0	0	0	0	111.5	R308 E311 E318 K319	R308-A314 WeakPolarHBondContact O-CB 3.48Å; E311-A314 VanDerWaalsContact O-CB 3.27Å; E311-A314 WeakPolarHBondContact O-CB 3.31Å; E311-A314 PolarHBondContact O-N 3.41Å; A314-E318 HydrophobicContact CB-CB 4.4Å; A314-K319 HydrophobicContact CB-CG 4.15Å; A314-K319 VanDerWaalsContact O-CE 3.24Å; A314-K319 WeakPolarHBondContact O-CE 3.29Å
315	T	82.8	Confident	79.6	Confident	75 Å²	75	41.3 Å²	41.3	46%	0.46	22%	0.222	S	C	.	.			trans	-66.1	154.5	175.7	60	0	0	0	0	111.5	G317 E318 K319	T315-G317 PolarHBondContact O-N 2.99Å; T315-E318 WeakPolarHBondContact CB-OE2 3.44Å; T315-E318 WeakPolarHBondContact CG2-OE2 3.12Å; T315-E318 PolarHBondContact N-OE2 3.32Å; T315-E318 WeakPolarHBondContact O-CB 3.45Å; T315-E318 PolarHBondContact O-N 3.29Å; T315-E318 VanDerWaalsContact OG1-CD 3.32Å; T315-E318 VanDerWaalsContact OG1-CG 3.22Å; T315-E318 WeakPolarHBondContact OG1-CG 3.5Å; T315-E318 PolarHBondContact OG1-N 2.83Å; T315-E318 PolarHBondContact OG1-OE2 3.43Å; T315-K319 WeakPolarHBondContact O-CG 3.14Å; T315-K319 PolarHBondContact O-N 2.9Å
316	P	78.7	Confident	79.5	Confident	84 Å²	84	41 Å²	41	55%	0.545	22%	0.22	S	C	.	.	H	α-helix	trans	-54.1	-39.2	178.5	-27.7	35.9	0	0	0	113.5	K319 A320	P316-K319 WeakPolarHBondContact O-CB 3.36Å; P316-K319 PolarHBondContact O-N 3.4Å; P316-A320 WeakPolarHBondContact O-CB 3.47Å; P316-A320 PolarHBondContact O-N 3.32Å
317	G	79.1	Confident	79.5	Confident	36 Å²	36	45 Å²	45	37%	0.371	24%	0.239	S	C	.	.	H	α-helix	trans	-64.3	-39.3	175	0	0	0	0	0	113.9	T315 L321	T315-G317 PolarHBondContact O-N 2.99Å; G317-L321 VanDerWaalsContact O-CB 3.29Å; G317-L321 WeakPolarHBondContact O-CB 2.95Å; G317-L321 PolarHBondContact O-N 3.11Å
318	E	82.7	Confident	79.7	Confident	54 Å²	54	43.5 Å²	43.5	25%	0.252	23%	0.228	S	C	.	.	H	α-helix	trans	-64.4	-41.4	172.4	-72.5	168.3	119.9	0	0	111.5	R308 A309 A314 T315 G322	R308-E318 WeakPolarHBondContact CG-OE1 3.4Å; R308-E318 IonicContact CZ-OE1 3.9Å; R308-E318 IonicContact CZ-OE2 3.39Å; R308-E318 IonicContact NE-OE1 3.28Å; R308-E318 PolarHBondContact NE-OE1 2.66Å; R308-E318 IonicContact NE-OE2 3Å; R308-E318 IonicContact NH2-OE1 3.19Å; R308-E318 IonicContact NH2-OE2 3.18Å; R308-E318 PolarHBondContact NH2-OE2 3.35Å; A309-E318 WeakPolarHBondContact CB-O 3.4Å; A314-E318 HydrophobicContact CB-CB 4.4Å; T315-E318 WeakPolarHBondContact CB-OE2 3.44Å; T315-E318 WeakPolarHBondContact CG2-OE2 3.12Å; T315-E318 PolarHBondContact N-OE2 3.32Å; T315-E318 WeakPolarHBondContact O-CB 3.45Å; T315-E318 PolarHBondContact O-N 3.29Å; T315-E318 VanDerWaalsContact OG1-CD 3.32Å; T315-E318 VanDerWaalsContact OG1-CG 3.22Å; T315-E318 WeakPolarHBondContact OG1-CG 3.5Å; T315-E318 PolarHBondContact OG1-N 2.83Å; T315-E318 PolarHBondContact OG1-OE2 3.43Å; E318-G322 PolarHBondContact O-N 3.23Å
319	K	81.1	Confident	79.9	Confident	46 Å²	46	40.1 Å²	40.1	20%	0.2	22%	0.216	C	C	.	.	H	α-helix	trans	-61.6	-50.1	176.5	-62.5	-179	-164.7	177.2	0	111.7	A314 T315 P316 G322 S323 E697	A314-K319 HydrophobicContact CB-CG 4.15Å; A314-K319 VanDerWaalsContact O-CE 3.24Å; A314-K319 WeakPolarHBondContact O-CE 3.29Å; T315-K319 WeakPolarHBondContact O-CG 3.14Å; T315-K319 PolarHBondContact O-N 2.9Å; P316-K319 WeakPolarHBondContact O-CB 3.36Å; P316-K319 PolarHBondContact O-N 3.4Å; K319-G322 PolarHBondContact O-N 2.96Å; K319-S323 PolarHBondContact O-N 3.34Å; K319-E697 WeakPolarHBondContact CD-OE1 3.21Å; K319-E697 WeakPolarHBondContact CD-OE2 3.19Å; K319-E697 IonicContact NZ-OE1 3.6Å; K319-E697 PolarHBondContact NZ-OE1 2.9Å; K319-E697 IonicContact NZ-OE2 2.68Å
320	A	82.1	Confident	80.1	Confident	11 Å²	11	42 Å²	42	9%	0.091	23%	0.225	C	C	.	.	H	α-helix	trans	-60.7	-46.3	179.3	0	0	0	0	0	111.5	P316 G322 S323 R324 P699 I708	P316-A320 WeakPolarHBondContact O-CB 3.47Å; P316-A320 PolarHBondContact O-N 3.32Å; A320-G322 VanDerWaalsContact C-N 3.33Å; A320-G322 PolarHBondContact O-N 2.84Å; A320-S323 PolarHBondContact O-N 3.04Å; A320-R324 WeakPolarHBondContact O-CG 3.25Å; A320-R324 PolarHBondContact O-N 3.29Å; A320-P699 HydrophobicContact CB-CG 4.41Å; A320-I708 HydrophobicContact CB-CD1 3.78Å
321	L	83.4	Confident	81	Confident	25 Å²	25	45.7 Å²	45.7	13%	0.131	25%	0.25	C	C	.	.	H	α-helix	trans	-56.5	-45.7	174.1	177.3	61.6	0	0	0	111.7	G317 M325 I708 R711	G317-L321 VanDerWaalsContact O-CB 3.29Å; G317-L321 WeakPolarHBondContact O-CB 2.95Å; G317-L321 PolarHBondContact O-N 3.11Å; L321-M325 HydrophobicContact CD1-CE 4.02Å; L321-M325 HydrophobicContact CD1-CG 4.17Å; L321-M325 WeakPolarHBondContact O-CB 3.41Å; L321-M325 WeakPolarHBondContact O-CG 3.34Å; L321-M325 PolarHBondContact O-N 2.74Å; L321-I708 HydrophobicContact CB-CG1 4.11Å; L321-I708 HydrophobicContact CD1-CB 4.43Å; L321-I708 HydrophobicContact CD1-CG1 4.21Å; L321-I708 HydrophobicContact CD1-CG2 4.13Å; L321-R711 HydrophobicContact CD1-CB 4.01Å
322	G	83.1	Confident	81.7	Confident	2 Å²	2	46.9 Å²	46.9	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-66.1	-37.3	178.2	0	0	0	0	0	114.1	E318 K319 A320 S326	E318-G322 PolarHBondContact O-N 3.23Å; K319-G322 PolarHBondContact O-N 2.96Å; A320-G322 VanDerWaalsContact C-N 3.33Å; A320-G322 PolarHBondContact O-N 2.84Å; G322-S326 WeakPolarHBondContact O-CB 3.25Å; G322-S326 PolarHBondContact O-N 3.47Å
323	S	80.9	Confident	82.5	Confident	29 Å²	29	42 Å²	42	20%	0.203	24%	0.236	C	C	.	.	H	α-helix	trans	-62.3	-55	174.4	-162.1	0	0	0	0	110.4	K319 A320 M325 S326 E327	K319-S323 PolarHBondContact O-N 3.34Å; A320-S323 PolarHBondContact O-N 3.04Å; S323-M325 VanDerWaalsContact C-N 3.29Å; S323-M325 PolarHBondContact O-N 3.46Å; S323-S326 CarbonylContact O-C 3.56Å; S323-S326 WeakPolarHBondContact O-CA 3.11Å; S323-S326 WeakPolarHBondContact O-CB 3.34Å; S323-S326 PolarHBondContact O-N 3.13Å; S323-E327 WeakPolarHBondContact CB-OE1 3.16Å; S323-E327 WeakPolarHBondContact O-CG 3.49Å; S323-E327 PolarHBondContact O-N 2.84Å; S323-E327 PolarHBondContact OG-OE1 3.06Å
324	R	83.4	Confident	83.1	Confident	94 Å²	94	44.5 Å²	44.5	36%	0.355	24%	0.242	S	C	.	.	H	α-helix	trans	-61.1	-35.2	-179.7	-58.9	-52.2	-174.7	110.2	-0.5	112.5	A320 E327 N328 D698 I708 V712	A320-R324 WeakPolarHBondContact O-CG 3.25Å; A320-R324 PolarHBondContact O-N 3.29Å; R324-E327 WeakPolarHBondContact CD-OE2 3.31Å; R324-E327 PolarHBondContact N-OE1 3.06Å; R324-N328 VanDerWaalsContact O-CB 3.3Å; R324-N328 WeakPolarHBondContact O-CB 3.32Å; R324-N328 PolarHBondContact O-N 2.69Å; R324-D698 IonicContact CZ-OD1 3.87Å; R324-D698 IonicContact NH2-OD1 2.77Å; R324-D698 PolarHBondContact NH2-OD1 2.93Å; R324-I708 HydrophobicContact CB-CG2 3.76Å; R324-I708 HydrophobicContact CG-CG2 3.75Å; R324-V712 HydrophobicContact CB-CG2 4.24Å
325	M	84.7	Confident	83.6	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-66.2	-39	171.8	-74.8	-69.4	-174.6	0	0	113	Y302 I306 L321 S323 N328 L329 R711 V712 A715	Y302-M325 HydrophobicContact CD1-CB 4.47Å; Y302-M325 HydrophobicContact CD1-SD 4.39Å; Y302-M325 HydrophobicContact CE1-SD 4.18Å; I306-M325 HydrophobicContact CD1-CB 4.18Å; I306-M325 HydrophobicContact CG1-CB 3.79Å; L321-M325 HydrophobicContact CD1-CE 4.02Å; L321-M325 HydrophobicContact CD1-CG 4.17Å; L321-M325 WeakPolarHBondContact O-CB 3.41Å; L321-M325 WeakPolarHBondContact O-CG 3.34Å; L321-M325 PolarHBondContact O-N 2.74Å; S323-M325 VanDerWaalsContact C-N 3.29Å; S323-M325 PolarHBondContact O-N 3.46Å; M325-N328 PolarHBondContact O-N 2.76Å; M325-L329 WeakPolarHBondContact O-CB 3.39Å; M325-L329 PolarHBondContact O-N 2.98Å; M325-R711 HydrophobicContact CE-CB 3.92Å; M325-R711 WeakPolarHBondContact CE-O 3.24Å; M325-V712 HydrophobicContact CE-CB 4.48Å; M325-V712 HydrophobicContact CE-CG2 3.92Å; M325-V712 HydrophobicContact CG-CG2 4.2Å; M325-V712 HydrophobicContact SD-CB 4.5Å; M325-V712 HydrophobicContact SD-CG2 3.79Å; M325-A715 HydrophobicContact CE-CB 4.29Å; M325-A715 HydrophobicContact SD-CB 4.35Å
326	S	83.3	Confident	83.9	Confident	14 Å²	14	45.3 Å²	45.3	10%	0.098	24%	0.242	C	C	.	.	H	α-helix	trans	-69.5	-41.4	176.6	-165.9	0	0	0	0	112.1	G322 S323 N328 L329 M330	G322-S326 WeakPolarHBondContact O-CB 3.25Å; G322-S326 PolarHBondContact O-N 3.47Å; S323-S326 CarbonylContact O-C 3.56Å; S323-S326 WeakPolarHBondContact O-CA 3.11Å; S323-S326 WeakPolarHBondContact O-CB 3.34Å; S323-S326 PolarHBondContact O-N 3.13Å; S326-N328 VanDerWaalsContact C-N 3.34Å; S326-L329 PolarHBondContact O-N 3.26Å; S326-M330 WeakPolarHBondContact O-CB 3.27Å; S326-M330 PolarHBondContact O-N 2.87Å
327	E	83.3	Confident	84.4	Confident	86 Å²	86	42.3 Å²	42.3	40%	0.402	22%	0.22	S	C	.	.	H	α-helix	trans	-61	-42.4	173.4	-68.1	153.9	-135.1	0	0	111.5	S323 R324 T331	S323-E327 WeakPolarHBondContact CB-OE1 3.16Å; S323-E327 WeakPolarHBondContact O-CG 3.49Å; S323-E327 PolarHBondContact O-N 2.84Å; S323-E327 PolarHBondContact OG-OE1 3.06Å; R324-E327 WeakPolarHBondContact CD-OE2 3.31Å; R324-E327 PolarHBondContact N-OE1 3.06Å; E327-T331 WeakPolarHBondContact O-CB 3.33Å; E327-T331 PolarHBondContact O-N 3.42Å; E327-T331 PolarHBondContact O-OG1 3.26Å
328	N	86.5	Confident	84.9	Confident	22 Å²	22	41.9 Å²	41.9	12%	0.118	21%	0.21	C	C	.	.	H	α-helix	trans	-63.8	-49.9	176.4	-164	-85.7	0	0	0	111.7	Y302 R324 M325 S326 M330 T331 L332 V712 Q716	Y302-N328 PolarHBondContact OH-OD1 2.79Å; R324-N328 VanDerWaalsContact O-CB 3.3Å; R324-N328 WeakPolarHBondContact O-CB 3.32Å; R324-N328 PolarHBondContact O-N 2.69Å; M325-N328 PolarHBondContact O-N 2.76Å; S326-N328 VanDerWaalsContact C-N 3.34Å; N328-M330 VanDerWaalsContact C-N 3.34Å; N328-M330 PolarHBondContact O-N 3.27Å; N328-T331 WeakPolarHBondContact O-CB 3.43Å; N328-T331 PolarHBondContact O-N 3.32Å; N328-T331 VanDerWaalsContact O-N 3.09Å; N328-L332 WeakPolarHBondContact O-CG 3.28Å; N328-L332 PolarHBondContact O-N 2.94Å; N328-V712 HydrophobicContact CB-CG1 3.88Å; N328-V712 WeakPolarHBondContact ND2-CG1 3.3Å; N328-Q716 PolarHBondContact ND2-NE2 3.41Å; N328-Q716 WeakPolarHBondContact OD1-CG 3.09Å; N328-Q716 PolarHBondContact OD1-NE2 3.21Å
329	L	85.4	Confident	85.1	Confident	6 Å²	6	42.4 Å²	42.4	3%	0.031	21%	0.209	C	C	.	.	H	α-helix	trans	-58.2	-45.5	177.6	-179.4	58.1	0	0	0	111.7	L276 L292 F298 Y302 I306 M325 S326 T331 L332 I333	L276-L329 HydrophobicContact CD2-CD2 4.29Å; L292-L329 HydrophobicContact CD2-CD1 3.85Å; F298-L329 HydrophobicContact CE2-CD1 3.94Å; F298-L329 HydrophobicContact CE2-CD2 4.08Å; F298-L329 HydrophobicContact CZ-CD2 4.13Å; Y302-L329 HydrophobicContact CD1-CB 3.84Å; Y302-L329 HydrophobicContact CD1-CD1 4.37Å; Y302-L329 HydrophobicContact CD1-CD2 4.24Å; Y302-L329 HydrophobicContact CD1-CG 4.37Å; Y302-L329 HydrophobicContact CE1-CB 3.86Å; I306-L329 HydrophobicContact CD1-CD2 4.27Å; M325-L329 WeakPolarHBondContact O-CB 3.39Å; M325-L329 PolarHBondContact O-N 2.98Å; S326-L329 PolarHBondContact O-N 3.26Å; L329-T331 VanDerWaalsContact C-N 3.3Å; L329-T331 PolarHBondContact O-N 3.42Å; L329-L332 PolarHBondContact O-N 2.95Å; L329-I333 HydrophobicContact CD1-CD1 3.65Å; L329-I333 HydrophobicContact CD1-CG1 4.32Å; L329-I333 HydrophobicContact CG-CD1 3.87Å; L329-I333 WeakPolarHBondContact O-CB 3.4Å; L329-I333 WeakPolarHBondContact O-CG1 3.39Å; L329-I333 PolarHBondContact O-N 3.18Å
330	M	82.5	Confident	85.4	Confident	43 Å²	43	41 Å²	41	21%	0.212	20%	0.203	C	C	.	.	H	α-helix	trans	-63.2	-36.9	176.6	-170.5	62.8	-175.4	0	0	111.6	S326 N328 I333 K334 F337 T620	S326-M330 WeakPolarHBondContact O-CB 3.27Å; S326-M330 PolarHBondContact O-N 2.87Å; N328-M330 VanDerWaalsContact C-N 3.34Å; N328-M330 PolarHBondContact O-N 3.27Å; M330-I333 PolarHBondContact O-N 2.93Å; M330-K334 VanDerWaalsContact O-CB 3.27Å; M330-K334 WeakPolarHBondContact O-CB 3.36Å; M330-K334 PolarHBondContact O-N 2.82Å; M330-F337 HydrophobicContact CE-CD1 4.12Å; M330-F337 HydrophobicContact CE-CE1 4.15Å; M330-T620 WeakPolarHBondContact CE-O 3.48Å
331	T	85.9	Confident	85.5	Confident	98 Å²	98	42.1 Å²	42.1	60%	0.601	21%	0.209	S	C	*	.	H	α-helix	trans	-65.2	-40.2	176.6	-60	0	0	0	0	112.2	E327 N328 L329	E327-T331 WeakPolarHBondContact O-CB 3.33Å; E327-T331 PolarHBondContact O-N 3.42Å; E327-T331 PolarHBondContact O-OG1 3.26Å; N328-T331 WeakPolarHBondContact O-CB 3.43Å; N328-T331 PolarHBondContact O-N 3.32Å; N328-T331 VanDerWaalsContact O-N 3.09Å; L329-T331 VanDerWaalsContact C-N 3.3Å; L329-T331 PolarHBondContact O-N 3.42Å
332	L	85	Confident	85.4	Confident	50 Å²	50	41.4 Å²	41.4	26%	0.262	20%	0.204	S	C	.	.	H	α-helix	trans	-66.4	-36.9	174.2	-66.3	171.6	0	0	0	112.6	N328 L329 P335 M719	N328-L332 WeakPolarHBondContact O-CG 3.28Å; N328-L332 PolarHBondContact O-N 2.94Å; L329-L332 PolarHBondContact O-N 2.95Å; L332-P335 WeakPolarHBondContact O-CD 3.34Å; L332-M719 HydrophobicContact CD1-SD 4.23Å
333	I	86.6	Confident	85	Confident	4 Å²	4	44.6 Å²	44.6	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-81.4	-33.4	-175.2	-77.9	173.3	0	0	0	113.1	M279 F283 L292 L329 M330 P335 Y336 F337	M279-I333 HydrophobicContact SD-CD1 3.68Å; F283-I333 HydrophobicContact CD2-CD1 3.9Å; F283-I333 HydrophobicContact CD2-CG1 4.28Å; F283-I333 HydrophobicContact CE1-CG2 3.9Å; F283-I333 HydrophobicContact CE2-CD1 3.73Å; F283-I333 HydrophobicContact CE2-CG1 4.13Å; F283-I333 HydrophobicContact CE2-CG2 3.76Å; F283-I333 HydrophobicContact CZ-CB 4.42Å; F283-I333 HydrophobicContact CZ-CD1 4.38Å; F283-I333 HydrophobicContact CZ-CG1 4.35Å; F283-I333 HydrophobicContact CZ-CG2 3.32Å; L292-I333 HydrophobicContact CD1-CD1 4.32Å; L292-I333 HydrophobicContact CD2-CG1 4.4Å; L329-I333 HydrophobicContact CD1-CD1 3.65Å; L329-I333 HydrophobicContact CD1-CG1 4.32Å; L329-I333 HydrophobicContact CG-CD1 3.87Å; L329-I333 WeakPolarHBondContact O-CB 3.4Å; L329-I333 WeakPolarHBondContact O-CG1 3.39Å; L329-I333 PolarHBondContact O-N 3.18Å; M330-I333 PolarHBondContact O-N 2.93Å; I333-P335 VanDerWaalsContact C-N 3.35Å; I333-P335 VanDerWaalsContact O-N 3.11Å; I333-Y336 WeakPolarHBondContact O-CA 3.48Å; I333-Y336 PolarHBondContact O-N 2.87Å; I333-F337 HydrophobicContact CG2-CB 3.47Å; I333-F337 VanDerWaalsContact CG2-CB 3.47Å; I333-F337 HydrophobicContact CG2-CD1 4.4Å; I333-F337 HydrophobicContact CG2-CG 3.92Å; I333-F337 WeakPolarHBondContact O-CB 3.41Å; I333-F337 PolarHBondContact O-N 3.11Å
334	K	86.6	Confident	84.7	Confident	148 Å²	148	46.5 Å²	46.5	64%	0.643	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-48	-36.7	-175	-174.5	174.1	-176.6	176.7	0	116.3	M330 Y336	M330-K334 VanDerWaalsContact O-CB 3.27Å; M330-K334 WeakPolarHBondContact O-CB 3.36Å; M330-K334 PolarHBondContact O-N 2.82Å; K334-Y336 PolarHBondContact O-N 2.99Å
335	P	88.6	Confident	84.5	Confident	53 Å²	53	43 Å²	43	34%	0.344	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-71.6	-12.3	176.6	-18.7	33.6	0	0	0	115.1	L122 R127 L332 I333	L122-P335 VanDerWaalsContact CD2-O 3.29Å; L122-P335 WeakPolarHBondContact CD2-O 3.49Å; R127-P335 PolarHBondContact NH1-O 3.44Å; L332-P335 WeakPolarHBondContact O-CD 3.34Å; I333-P335 VanDerWaalsContact C-N 3.35Å; I333-P335 VanDerWaalsContact O-N 3.11Å
336	Y	88.6	Confident	83.9	Confident	46 Å²	46	46.1 Å²	46.1	18%	0.18	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-115.4	-3.2	-177.3	-60.9	-91	0	0	0	112.7	R127 G130 V131 L291 I333 K334	R127-Y336 HydrophobicContact CB-CD1 4.3Å; R127-Y336 HydrophobicContact CB-CE1 3.79Å; R127-Y336 HydrophobicContact CG-CD1 4.45Å; R127-Y336 HydrophobicContact CG-CE1 3.73Å; G130-Y336 CarbonylContact C-O 3.56Å; G130-Y336 WeakPolarHBondContact CA-O 3.34Å; V131-Y336 PolarHBondContact N-O 3.32Å; L291-Y336 HydrophobicContact CD1-CD2 4.16Å; L291-Y336 HydrophobicContact CD1-CE2 3.71Å; L291-Y336 HydrophobicContact CD2-CD2 3.81Å; L291-Y336 HydrophobicContact CD2-CE2 4.15Å; L291-Y336 HydrophobicContact CD2-CG 4.18Å; I333-Y336 WeakPolarHBondContact O-CA 3.48Å; I333-Y336 PolarHBondContact O-N 2.87Å; K334-Y336 PolarHBondContact O-N 2.99Å
337	F	89.2	Confident	83.1	Confident	21 Å²	21	52.5 Å²	52.5	9%	0.092	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	122.2	-168.3	176.2	-98	0	0	0	111.9	V131 A133 P271 F283 M330 I333 R339 T620	V131-F337 HydrophobicContact CB-CD2 4.06Å; V131-F337 HydrophobicContact CG1-CD2 4.18Å; V131-F337 HydrophobicContact CG1-CE2 4.41Å; A133-F337 HydrophobicContact CB-CD2 4.32Å; A133-F337 HydrophobicContact CB-CE2 3.46Å; A133-F337 VanDerWaalsContact CB-CE2 3.46Å; A133-F337 HydrophobicContact CB-CZ 3.85Å; P271-F337 HydrophobicContact CB-CE2 3.73Å; P271-F337 HydrophobicContact CB-CZ 4.25Å; P271-F337 HydrophobicContact CG-CE2 3.95Å; P271-F337 HydrophobicContact CG-CZ 3.95Å; F283-F337 HydrophobicContact CE1-CB 4.15Å; F283-F337 HydrophobicContact CE1-CD2 4.47Å; F283-F337 HydrophobicContact CZ-CB 3.93Å; F283-F337 AromaticContact CZ-CD2 3.72Å; F283-F337 HydrophobicContact CZ-CD2 3.72Å; F283-F337 HydrophobicContact CZ-CG 4.13Å; M330-F337 HydrophobicContact CE-CD1 4.12Å; M330-F337 HydrophobicContact CE-CE1 4.15Å; I333-F337 HydrophobicContact CG2-CB 3.47Å; I333-F337 VanDerWaalsContact CG2-CB 3.47Å; I333-F337 HydrophobicContact CG2-CD1 4.4Å; I333-F337 HydrophobicContact CG2-CG 3.92Å; I333-F337 WeakPolarHBondContact O-CB 3.41Å; I333-F337 PolarHBondContact O-N 3.11Å; F337-R339 HydrophobicContact CE1-CB 3.67Å; F337-R339 HydrophobicContact CZ-CB 3.57Å; F337-T620 HydrophobicContact CE1-CG2 3.78Å; F337-T620 HydrophobicContact CZ-CG2 3.68Å
338	L	89.8	Confident	82	Confident	28 Å²	28	55.8 Å²	55.8	15%	0.147	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	111	174.9	179	59.7	0	0	0	110.1	F118 V131 L132 A133 R340	F118-L338 HydrophobicContact CB-CD2 3.82Å; F118-L338 HydrophobicContact CD1-CB 3.75Å; F118-L338 HydrophobicContact CD1-CD2 3.62Å; F118-L338 HydrophobicContact CD1-CG 4.35Å; F118-L338 HydrophobicContact CD2-CB 4.39Å; F118-L338 HydrophobicContact CE1-CB 3.56Å; F118-L338 HydrophobicContact CE1-CD2 4.32Å; F118-L338 HydrophobicContact CE2-CB 4.23Å; F118-L338 HydrophobicContact CG-CB 4.17Å; F118-L338 HydrophobicContact CG-CD2 3.73Å; F118-L338 HydrophobicContact CZ-CB 3.82Å; V131-L338 PolarHBondContact O-N 3.45Å; L132-L338 HydrophobicContact CD1-CB 4.28Å; L132-L338 HydrophobicContact CD1-CD2 3.95Å; L132-L338 HydrophobicContact CD1-CG 4.17Å; A133-L338 PolarHBondContact N-O 2.69Å; L338-R340 HydrophobicContact CD1-CG 4.24Å
339	R	87.6	Confident	80.5	Confident	64 Å²	64	59.6 Å²	59.6	24%	0.242	29%	0.29	C	S	.	.			trans	-121.4	144.2	165	176.5	152.6	177.5	-138.7	0.7	109.8	A133 D135 F337 T620	A133-R339 HydrophobicContact CB-CB 4.01Å; A133-R339 WeakPolarHBondContact O-CB 3.39Å; A133-R339 WeakPolarHBondContact O-CD 3.31Å; A133-R339 WeakPolarHBondContact O-CG 3.46Å; D135-R339 IonicContact OD1-CZ 3.66Å; D135-R339 IonicContact OD1-NE 2.81Å; D135-R339 PolarHBondContact OD1-NE 3.29Å; D135-R339 IonicContact OD1-NH2 3Å; D135-R339 PolarHBondContact OD1-NH2 3.05Å; F337-R339 HydrophobicContact CE1-CB 3.67Å; F337-R339 HydrophobicContact CZ-CB 3.57Å; R339-T620 HydrophobicContact CB-CG2 4.21Å; R339-T620 HydrophobicContact CG-CG2 4.2Å; R339-T620 PolarHBondContact NH1-OG1 2.91Å
340	R	87.2	Confident	78.7	Confident	17 Å²	17	64.1 Å²	64.1	6%	0.064	32%	0.318	C	S	.	.			trans	-140.5	131.7	173.6	-66.2	166.6	-71.3	-157.6	8.9	108.1	Y111 D134 D135 L138 L338 V345	Y111-R340 PolarHBondContact O-NH1 2.72Å; D134-R340 VanDerWaalsContact CG-NH2 3.26Å; D134-R340 IonicContact OD1-CZ 2.77Å; D134-R340 VanDerWaalsContact OD1-CZ 3.3Å; D134-R340 IonicContact OD1-NE 3.67Å; D134-R340 PolarHBondContact OD1-NE 3.06Å; D134-R340 IonicContact OD1-NH2 3.91Å; D134-R340 PolarHBondContact OD1-NH2 2.61Å; D134-R340 IonicContact OD2-CZ 3.41Å; D134-R340 IonicContact OD2-NE 3.51Å; D134-R340 IonicContact OD2-NH2 3.57Å; D134-R340 PolarHBondContact OD2-NH2 3.49Å; D135-R340 PolarHBondContact N-O 2.82Å; L138-R340 WeakPolarHBondContact CD1-O 3.31Å; L338-R340 HydrophobicContact CD1-CG 4.24Å; R340-V345 HydrophobicContact CB-CG2 4.31Å
341	T	83.3	Confident	76.6	Confident	35 Å²	35	64.4 Å²	64.4	22%	0.215	33%	0.332	C	S	.	.			trans	-85	154.3	175.4	64.1	0	0	0	0	112.7	D135 S343 E344 V345	D135-T341 WeakPolarHBondContact OD2-CA 3.48Å; D135-T341 WeakPolarHBondContact OD2-CB 3.37Å; T341-S343 PolarHBondContact O-N 3.08Å; T341-S343 VanDerWaalsContact O-N 3.16Å; T341-E344 VanDerWaalsContact CB-OE1 3.27Å; T341-E344 WeakPolarHBondContact CB-OE1 3.26Å; T341-E344 VanDerWaalsContact CG2-OE1 3.32Å; T341-E344 WeakPolarHBondContact CG2-OE1 3.47Å; T341-E344 PolarHBondContact N-OE1 2.7Å; T341-E344 PolarHBondContact O-N 2.99Å; T341-E344 VanDerWaalsContact O-N 3.17Å; T341-E344 WeakPolarHBondContact OG1-CG 3.35Å; T341-E344 PolarHBondContact OG1-N 2.84Å; T341-E344 PolarHBondContact OG1-OE1 3.02Å; T341-V345 WeakPolarHBondContact O-CG2 3.21Å; T341-V345 PolarHBondContact O-N 3.22Å
342	K	81.4	Confident	74.4	Confident	10 Å²	10	63.1 Å²	63.1	4%	0.043	34%	0.338	C	S	.	.	H	α-helix	trans	-51.7	-38	171.7	-66.1	176	-174.8	179.7	0	111.7	D135 M136 L138 Q346 L376 D579 Y582	D135-K342 HydrophobicContact CB-CG 3.97Å; D135-K342 PolarHBondContact OD2-N 3.04Å; M136-K342 WeakPolarHBondContact O-CE 3.44Å; M136-K342 PolarHBondContact O-NZ 3.39Å; L138-K342 HydrophobicContact CD2-CG 4.23Å; L138-K342 HydrophobicContact CG-CG 4.37Å; K342-Q346 WeakPolarHBondContact O-CG 3.18Å; K342-Q346 PolarHBondContact O-N 3.1Å; K342-L376 HydrophobicContact CB-CD1 4.27Å; K342-L376 HydrophobicContact CD-CD1 4.1Å; K342-L376 HydrophobicContact CG-CD1 4.29Å; K342-D579 IonicContact NZ-OD1 2.7Å; K342-D579 PolarHBondContact NZ-OD1 2.88Å; K342-D579 IonicContact NZ-OD2 3.79Å; K342-D579 PolarHBondContact NZ-OD2 2.94Å; K342-Y582 HydrophobicContact CD-CD1 4.03Å; K342-Y582 HydrophobicContact CD-CE1 3.69Å; K342-Y582 PolarHBondContact NZ-O 3.07Å
343	S	74.4	Confident	72.3	Confident	69 Å²	69	69.9 Å²	69.9	48%	0.483	37%	0.366	S	S	.	.	H	α-helix	trans	-67.9	-41	-179.8	-60.4	0	0	0	0	113.5	T341 K347	T341-S343 PolarHBondContact O-N 3.08Å; T341-S343 VanDerWaalsContact O-N 3.16Å; S343-K347 WeakPolarHBondContact O-CB 3.38Å; S343-K347 VanDerWaalsContact O-CG 3.28Å; S343-K347 WeakPolarHBondContact O-CG 3.22Å; S343-K347 PolarHBondContact O-N 3.02Å
344	E	76.2	Confident	70	Confident	69 Å²	69	78.5 Å²	78.5	32%	0.322	41%	0.406	S	S	.	.	H	α-helix	trans	-65.8	-44.4	176.4	-74.2	158.4	-105.6	0	0	112.5	T341 Q346 K347 K348	T341-E344 VanDerWaalsContact CB-OE1 3.27Å; T341-E344 WeakPolarHBondContact CB-OE1 3.26Å; T341-E344 VanDerWaalsContact CG2-OE1 3.32Å; T341-E344 WeakPolarHBondContact CG2-OE1 3.47Å; T341-E344 PolarHBondContact N-OE1 2.7Å; T341-E344 PolarHBondContact O-N 2.99Å; T341-E344 VanDerWaalsContact O-N 3.17Å; T341-E344 WeakPolarHBondContact OG1-CG 3.35Å; T341-E344 PolarHBondContact OG1-N 2.84Å; T341-E344 PolarHBondContact OG1-OE1 3.02Å; E344-Q346 PolarHBondContact O-N 3.28Å; E344-K347 PolarHBondContact O-N 3.22Å; E344-K347 VanDerWaalsContact O-N 3.16Å; E344-K348 PolarHBondContact O-N 3.38Å
345	V	77.6	Confident	67.5	Low	19 Å²	19	75.6 Å²	75.6	12%	0.115	41%	0.409	C	S	.	.	H	α-helix	trans	-60.6	-35.6	-178.2	177.7	0	0	0	0	110.5	Y111 L138 R340 T341 M373	Y111-V345 HydrophobicContact CD1-CG1 3.47Å; Y111-V345 VanDerWaalsContact CD1-CG1 3.47Å; Y111-V345 HydrophobicContact CE1-CG1 3.75Å; Y111-V345 HydrophobicContact CG-CG1 4.06Å; Y111-V345 HydrophobicContact CG-CG2 4.31Å; L138-V345 HydrophobicContact CD1-CG2 4.34Å; R340-V345 HydrophobicContact CB-CG2 4.31Å; T341-V345 WeakPolarHBondContact O-CG2 3.21Å; T341-V345 PolarHBondContact O-N 3.22Å; V345-M373 HydrophobicContact CG1-CE 4.42Å; V345-M373 HydrophobicContact CG1-SD 3.49Å; V345-M373 WeakPolarHBondContact CG1-SD 3.42Å
346	Q	72.1	Confident	65.2	Low	66 Å²	66	81.7 Å²	81.7	31%	0.308	44%	0.439	S	S	.	.	H	α-helix	trans	-70.9	-50.5	170.9	-67.7	-175.6	0.4	0	0	113.1	K342 E344 K348 K349 T350 L376	K342-Q346 WeakPolarHBondContact O-CG 3.18Å; K342-Q346 PolarHBondContact O-N 3.1Å; E344-Q346 PolarHBondContact O-N 3.28Å; Q346-K348 VanDerWaalsContact C-N 3.32Å; Q346-K348 PolarHBondContact O-N 2.96Å; Q346-K349 VanDerWaalsContact O-CB 3.3Å; Q346-K349 WeakPolarHBondContact O-CB 3.43Å; Q346-K349 PolarHBondContact O-N 3.29Å; Q346-T350 PolarHBondContact O-N 3.46Å; Q346-L376 VanDerWaalsContact NE2-CB 3.33Å
347	K	66.7	Low	62.4	Low	148 Å²	148	84.9 Å²	84.9	64%	0.643	47%	0.468	S	S	*	.	H	α-helix	trans	-58.9	-38.8	-176.4	-77.2	173.7	179.7	-179.2	0	113.2	S343 E344 K349 T350 G351	S343-K347 WeakPolarHBondContact O-CB 3.38Å; S343-K347 VanDerWaalsContact O-CG 3.28Å; S343-K347 WeakPolarHBondContact O-CG 3.22Å; S343-K347 PolarHBondContact O-N 3.02Å; E344-K347 PolarHBondContact O-N 3.22Å; E344-K347 VanDerWaalsContact O-N 3.16Å; K347-K349 PolarHBondContact O-N 2.99Å; K347-T350 PolarHBondContact O-N 3.06Å; K347-T350 VanDerWaalsContact O-N 3.15Å; K347-T350 PolarHBondContact O-OG1 2.84Å; K347-G351 PolarHBondContact O-N 3.05Å; K347-G351 VanDerWaalsContact O-N 3.09Å
348	K	59.8	Low	59.6	Low	156 Å²	156	92.4 Å²	92.4	68%	0.678	50%	0.503	S	S	*	.	H	α-helix	trans	-61	-26.7	176.8	-75.7	176.8	176.2	170.8	0	112.5	E344 Q346	E344-K348 PolarHBondContact O-N 3.38Å; Q346-K348 VanDerWaalsContact C-N 3.32Å; Q346-K348 PolarHBondContact O-N 2.96Å
349	K	54.8	Low	57	Low	102 Å²	102	97.7 Å²	97.7	44%	0.443	54%	0.54	S	S	.	.	H	α-helix	trans	-80.9	-22.3	178.4	-140.7	169.4	-173.3	170.3	0	113.6	Q346 K347 M373	Q346-K349 VanDerWaalsContact O-CB 3.3Å; Q346-K349 WeakPolarHBondContact O-CB 3.43Å; Q346-K349 PolarHBondContact O-N 3.29Å; K347-K349 PolarHBondContact O-N 2.99Å; K349-M373 VanDerWaalsContact NZ-N 3.19Å; K349-M373 PolarHBondContact NZ-O 3.03Å
350	T	48.3	Very low	54.3	Low	101 Å²	101	102.3 Å²	102.3	62%	0.62	57%	0.569	S	S	*	*	H	α-helix	trans	-90.8	-34.7	175.2	47	0	0	0	0	113.1	Q346 K347 G352 K353	Q346-T350 PolarHBondContact O-N 3.46Å; K347-T350 PolarHBondContact O-N 3.06Å; K347-T350 VanDerWaalsContact O-N 3.15Å; K347-T350 PolarHBondContact O-OG1 2.84Å; T350-G352 PolarHBondContact O-N 2.93Å; T350-K353 PolarHBondContact O-N 3.29Å
351	G	37.8	Very low	52	Low	49 Å²	49	107 Å²	107	51%	0.505	60%	0.595	S	S	.	*	H	α-helix	trans	-62.4	-26.4	-179.6	0	0	0	0	0	114.4	K347 K353 E354	K347-G351 PolarHBondContact O-N 3.05Å; K347-G351 VanDerWaalsContact O-N 3.09Å; G351-K353 PolarHBondContact O-N 3.41Å; G351-E354 PolarHBondContact O-N 3.48Å
352	G	40.5	Very low	50.1	Low	71 Å²	71	112.8 Å²	112.8	73%	0.732	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	14.1	178.8	0	0	0	0	0	116.4	T350	T350-G352 PolarHBondContact O-N 2.93Å
353	K	41.4	Very low	48	Very low	192 Å²	192	121.4 Å²	121.4	84%	0.835	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.7	-3.8	175.6	-71.2	-159.3	172	-163.5	0	115.3	T350 G351	T350-K353 PolarHBondContact O-N 3.29Å; G351-K353 PolarHBondContact O-N 3.41Å
354	E	38	Very low	45.8	Very low	185 Å²	185	125.7 Å²	125.7	86%	0.864	68%	0.677	S	S	*	*			trans	-132.1	65.4	-176.4	-68.4	-175.8	171.3	0	0	111.4	G351	G351-E354 PolarHBondContact O-N 3.48Å
355	A	34.5	Very low	43.9	Very low	86 Å²	86	128 Å²	128	71%	0.711	70%	0.699	S	S	*	*	S	Bend	trans	-139.9	129.3	164.5	0	0	0	0	0	109	S357	A355-S357 PolarHBondContact O-N 2.99Å
356	N	39.3	Very low	41.6	Very low	181 Å²	181	135.4 Å²	135.4	97%	0.968	73%	0.732	S	S	*	*			trans	-70.3	125.7	-173.9	-70	-30	0	0	0	112
357	S	31.3	Very low	39.9	Very low	114 Å²	114	138.1 Å²	138.1	80%	0.797	76%	0.755	S	S	*	*			trans	-144.3	145.2	156.1	50.3	0	0	0	0	108.9	A355	A355-S357 PolarHBondContact O-N 2.99Å
358	E	29.8	Very low	38.6	Very low	178 Å²	178	136.9 Å²	136.9	83%	0.832	76%	0.76	S	S	*	*			trans	-71.1	158	-178.9	-66.2	-178.5	130.4	0	0	111	D360	E358-D360 PolarHBondContact O-N 3.02Å
359	P	35.5	Very low	37.9	Very low	140 Å²	140	133 Å²	133	91%	0.909	75%	0.752	S	S	*	*			trans	-77.3	66.6	-177.8	33.8	-37.1	0	0	0	111.5
360	D	29.8	Very low	37.8	Very low	161 Å²	161	129 Å²	129	86%	0.861	74%	0.741	S	S	*	*			trans	-78.4	153.2	172.8	-151.1	-7.4	0	0	0	111.3	E358	E358-D360 PolarHBondContact O-N 3.02Å
361	N	39.6	Very low	38.3	Very low	114 Å²	114	125.4 Å²	125.4	61%	0.61	72%	0.721	S	S	*	*			trans	-106.4	151.6	-151.4	-169.8	18.6	0	0	0	113.5
362	H	43.1	Very low	39.5	Very low	158 Å²	158	128.6 Å²	128.6	73%	0.731	73%	0.731	S	S	*	*			trans	62.2	78.3	173	-57.9	-56.7	0	0	0	118
363	Q	36.4	Very low	40.6	Very low	190 Å²	190	126 Å²	126	89%	0.888	70%	0.7	S	S	*	*			trans	-148.2	132.8	133.4	-114.8	158.5	67.4	0	0	109.9	P365	Q363-P365 WeakPolarHBondContact O-CD 3.49Å
364	N	29.5	Very low	41.8	Very low	159 Å²	159	120 Å²	120	85%	0.85	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-68.4	121.5	173	-85	-4.5	0	0	0	108.5	Q366	N364-Q366 PolarHBondContact O-N 3.41Å
365	P	35.4	Very low	43.2	Very low	119 Å²	119	120.2 Å²	120.2	77%	0.773	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-65	119.6	162.6	28.5	-31.4	0	0	0	107.4	Q363	Q363-P365 WeakPolarHBondContact O-CD 3.49Å
366	Q	30.8	Very low	44.9	Very low	174 Å²	174	116.8 Å²	116.8	81%	0.813	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-56.6	136.4	166.6	-78	-177.7	-48.6	0	0	108.3	N364 T368	N364-Q366 PolarHBondContact O-N 3.41Å; Q366-T368 PolarHBondContact O-N 2.78Å; Q366-T368 VanDerWaalsContact O-N 3.13Å
367	P	36.1	Very low	46.7	Very low	122 Å²	122	109.4 Å²	109.4	79%	0.792	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-61.3	120.4	170.3	27	-32.4	0	0	0	107.6	S369	P367-S369 PolarHBondContact O-N 3.05Å
368	T	39.6	Very low	49.1	Very low	123 Å²	123	106.8 Å²	106.8	76%	0.755	58%	0.582	S	S	*	*			trans	-71.3	83.3	176.3	53.4	0	0	0	0	108.7	Q366 G370	Q366-T368 PolarHBondContact O-N 2.78Å; Q366-T368 VanDerWaalsContact O-N 3.13Å; T368-G370 PolarHBondContact O-N 3.28Å
369	S	43.6	Very low	51.8	Low	73 Å²	73	100.7 Å²	100.7	51%	0.51	55%	0.553	S	S	.	*			trans	-60.5	126.3	176.2	-160.8	0	0	0	0	108.9	D106 R113 P367	D106-S369 VanDerWaalsContact OD2-CB 3.23Å; D106-S369 WeakPolarHBondContact OD2-CB 3.37Å; D106-S369 PolarHBondContact OD2-OG 3Å; R113-S369 VanDerWaalsContact CZ-O 3.27Å; R113-S369 PolarHBondContact NH1-O 3Å; R113-S369 PolarHBondContact NH2-O 3.18Å; P367-S369 PolarHBondContact O-N 3.05Å
370	G	52.9	Low	54.2	Low	20 Å²	20	94.7 Å²	94.7	21%	0.206	51%	0.513	C	S	.	.	S	Bend	trans	158.8	145.3	-170.6	0	0	0	0	0	113	D106 R113 T368 V372	D106-G370 CarbonylContact O-C 3.55Å; R113-G370 VanDerWaalsContact NH2-CA 3.3Å; T368-G370 PolarHBondContact O-N 3.28Å; G370-V372 PolarHBondContact O-N 3.48Å
371	A	59.1	Low	56.9	Low	25 Å²	25	87.2 Å²	87.2	21%	0.207	47%	0.473	C	S	.	.			trans	-60.1	128.7	-176.9	0	0	0	0	0	111.4	D106 R107 Y109 M373	D106-A371 PolarHBondContact O-N 3.4Å; R107-A371 WeakPolarHBondContact O-CB 3.28Å; Y109-A371 HydrophobicContact CD1-CB 3.59Å; Y109-A371 VanDerWaalsContact CD1-O 3.28Å; Y109-A371 WeakPolarHBondContact CD1-O 3.33Å; Y109-A371 HydrophobicContact CE1-CB 3.7Å; A371-M373 PolarHBondContact O-N 2.88Å
372	V	63.7	Low	59.3	Low	116 Å²	116	81.9 Å²	81.9	70%	0.703	45%	0.445	S	S	*	.			trans	-85.4	100.4	178.3	-178.6	0	0	0	0	108.8	G370 P374	G370-V372 PolarHBondContact O-N 3.48Å; V372-P374 WeakPolarHBondContact O-CD 3.41Å
373	M	64	Low	61.5	Low	16 Å²	16	74.4 Å²	74.4	8%	0.079	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-48.1	124.8	176.1	-171.1	-158.6	179.5	0	0	111.4	Y109 Y111 L138 V345 K349 A371 L376 I584	Y109-M373 HydrophobicContact CD1-CB 3.85Å; Y109-M373 HydrophobicContact CD2-CB 4.19Å; Y109-M373 HydrophobicContact CD2-CG 4.1Å; Y109-M373 VanDerWaalsContact CE1-CA 3.45Å; Y109-M373 HydrophobicContact CE1-CB 4.04Å; Y109-M373 HydrophobicContact CE2-CB 4.36Å; Y109-M373 HydrophobicContact CE2-CG 4.04Å; Y109-M373 HydrophobicContact CG-CB 3.93Å; Y109-M373 HydrophobicContact CG-CG 4.36Å; Y111-M373 HydrophobicContact CD1-SD 4.49Å; Y111-M373 HydrophobicContact CE1-CE 4.5Å; Y111-M373 HydrophobicContact CE1-CG 4.23Å; Y111-M373 HydrophobicContact CE1-SD 3.74Å; L138-M373 HydrophobicContact CD2-CE 3.99Å; V345-M373 HydrophobicContact CG1-CE 4.42Å; V345-M373 HydrophobicContact CG1-SD 3.49Å; V345-M373 WeakPolarHBondContact CG1-SD 3.42Å; K349-M373 VanDerWaalsContact NZ-N 3.19Å; K349-M373 PolarHBondContact NZ-O 3.03Å; A371-M373 PolarHBondContact O-N 2.88Å; M373-L376 HydrophobicContact CE-CG 4.46Å; M373-I584 HydrophobicContact CE-CD1 3.85Å; M373-I584 HydrophobicContact CE-CG1 4.05Å
374	P	65.6	Low	64	Low	65 Å²	65	65.3 Å²	65.3	42%	0.422	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-57.3	143.7	174.1	-25.5	34.5	0	0	0	111.8	Y109 V372 L376	Y109-P374 WeakPolarHBondContact OH-CD 2.95Å; V372-P374 WeakPolarHBondContact O-CD 3.41Å; P374-L376 PolarHBondContact O-N 2.55Å
375	K	67.6	Low	66.9	Low	190 Å²	190	57.8 Å²	57.8	83%	0.826	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-66.2	117.5	167.6	-65	-180	-179.4	178.8	0	107.7
376	L	70.9	Confident	69.4	Low	14 Å²	14	52.1 Å²	52.1	7%	0.073	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-64.9	147	165	-50.2	170.3	0	0	0	107.9	K342 Q346 M373 P374 Y582 I584	K342-L376 HydrophobicContact CB-CD1 4.27Å; K342-L376 HydrophobicContact CD-CD1 4.1Å; K342-L376 HydrophobicContact CG-CD1 4.29Å; Q346-L376 VanDerWaalsContact NE2-CB 3.33Å; M373-L376 HydrophobicContact CE-CG 4.46Å; P374-L376 PolarHBondContact O-N 2.55Å; L376-Y582 HydrophobicContact CB-CE2 4.03Å; L376-Y582 HydrophobicContact CD1-CE1 4.33Å; L376-I584 HydrophobicContact CD2-CB 4.41Å; L376-I584 HydrophobicContact CD2-CG1 4.05Å
377	T	76.8	Confident	72.1	Confident	26 Å²	26	47 Å²	47	16%	0.16	26%	0.264	C	S	.	.			trans	-69.1	177.8	175.8	53.1	0	0	0	0	112.4	K379 Y582 Q586 T587 E588	T377-K379 PolarHBondContact O-N 3.3Å; T377-Y582 WeakPolarHBondContact O-CE2 3.37Å; T377-Y582 PolarHBondContact O-OH 2.69Å; T377-Q586 WeakPolarHBondContact OG1-CG 3.39Å; T377-T587 WeakPolarHBondContact CG2-O 3.46Å; T377-E588 VanDerWaalsContact CB-O 3.22Å; T377-E588 WeakPolarHBondContact CB-O 3.4Å; T377-E588 PolarHBondContact OG1-O 3.16Å
378	R	80.6	Confident	74.5	Confident	59 Å²	59	41.8 Å²	41.8	22%	0.223	23%	0.23	C	C	.	.			trans	-74	126.7	178.4	-171.2	-178.9	158	174.6	-6.1	110.2	N380 N589 V590 R662 D664	R378-N380 PolarHBondContact NE-OD1 2.93Å; R378-N380 PolarHBondContact NH2-OD1 2.7Å; R378-N589 HydrophobicContact CB-CB 4.41Å; R378-N589 WeakPolarHBondContact CB-OD1 3.42Å; R378-N589 PolarHBondContact N-OD1 3.38Å; R378-N589 CarbonylContact O-C 3.08Å; R378-N589 WeakPolarHBondContact O-CA 3.32Å; R378-V590 PolarHBondContact O-N 2.82Å; R378-R662 VanDerWaalsContact NH2-C 3.33Å; R378-R662 PolarHBondContact NH2-O 2.81Å; R378-D664 IonicContact CZ-OD1 3.96Å; R378-D664 IonicContact NH1-OD1 3.57Å; R378-D664 PolarHBondContact NH1-OD1 3.47Å; R378-D664 IonicContact NH1-OD2 3.51Å
379	K	86.3	Confident	76.8	Confident	50 Å²	50	37 Å²	37	22%	0.217	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	138.5	165	-159.5	-158.3	70.8	149.6	0	109.3	T377 D381 V578 Y582 V590 I592 D686	T377-K379 PolarHBondContact O-N 3.3Å; K379-D381 IonicContact NZ-OD2 2.76Å; K379-D381 PolarHBondContact NZ-OD2 2.78Å; K379-V578 HydrophobicContact CD-CG1 4.34Å; K379-Y582 HydrophobicContact CB-CD1 4.42Å; K379-Y582 HydrophobicContact CB-CD2 4.23Å; K379-Y582 HydrophobicContact CB-CE1 4.18Å; K379-Y582 HydrophobicContact CB-CE2 4.01Å; K379-Y582 HydrophobicContact CB-CG 4.45Å; K379-Y582 HydrophobicContact CD-CD1 4.13Å; K379-Y582 HydrophobicContact CD-CE1 4.44Å; K379-Y582 HydrophobicContact CD-CG 4.46Å; K379-Y582 HydrophobicContact CG-CD1 4.3Å; K379-Y582 HydrophobicContact CG-CD2 4.38Å; K379-Y582 HydrophobicContact CG-CG 4.24Å; K379-V590 CarbonylContact C-O 3.5Å; K379-V590 WeakPolarHBondContact CA-O 3.12Å; K379-I592 HydrophobicContact CD-CD1 3.75Å; K379-I592 HydrophobicContact CG-CD1 3.45Å; K379-I592 VanDerWaalsContact CG-CD1 3.45Å; K379-D686 VanDerWaalsContact CE-CG 3.48Å; K379-D686 WeakPolarHBondContact CE-OD1 3.46Å; K379-D686 WeakPolarHBondContact CE-OD2 3.3Å; K379-D686 IonicContact NZ-OD1 2.97Å; K379-D686 PolarHBondContact NZ-OD1 2.67Å; K379-D686 IonicContact NZ-OD2 2.7Å
380	N	86.2	Confident	78.7	Confident	14 Å²	14	36.6 Å²	36.6	8%	0.075	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	115.2	168.8	-62.3	-46.4	0	0	0	109.5	R378 V590 V591 I592 L667	R378-N380 PolarHBondContact NE-OD1 2.93Å; R378-N380 PolarHBondContact NH2-OD1 2.7Å; N380-V590 PolarHBondContact N-O 3.12Å; N380-V591 HydrophobicContact CB-CG2 4.48Å; N380-V591 WeakPolarHBondContact O-CA 3.43Å; N380-I592 WeakPolarHBondContact O-CD1 3.39Å; N380-I592 PolarHBondContact O-N 3.19Å; N380-L667 WeakPolarHBondContact ND2-CD2 3.43Å
381	D	87.6	Confident	80.1	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.021	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	106.5	-178.4	-152.2	-39.3	0	0	0	110.4	K379 I592 R594 H685 D686	K379-D381 IonicContact NZ-OD2 2.76Å; K379-D381 PolarHBondContact NZ-OD2 2.78Å; D381-I592 HydrophobicContact CB-CD1 4.4Å; D381-R594 IonicContact OD1-CZ 3.71Å; D381-R594 IonicContact OD1-NE 3.3Å; D381-R594 PolarHBondContact OD1-NE 2.89Å; D381-R594 IonicContact OD1-NH2 3.83Å; D381-R594 PolarHBondContact OD1-NH2 3.26Å; D381-R594 IonicContact OD2-CZ 2.72Å; D381-R594 IonicContact OD2-NE 3.03Å; D381-R594 IonicContact OD2-NH2 3.57Å; D381-R594 PolarHBondContact OD2-NH2 3.47Å; D381-H685 HydrophobicContact CB-CB 4.01Å; D381-H685 WeakPolarHBondContact O-CB 3.4Å; D381-H685 PolarHBondContact O-N 2.9Å; D381-H685 IonicContact OD1-CD2 2.86Å; D381-H685 IonicContact OD2-CD2 2.76Å; D381-D686 VanDerWaalsContact CB-OD2 3.28Å; D381-D686 WeakPolarHBondContact CB-OD2 3.37Å; D381-D686 PolarHBondContact N-OD2 3.32Å
382	L	89	Confident	81.4	Confident	3 Å²	3	37 Å²	37	2%	0.016	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	135	-173.2	-58.2	179.1	0	0	0	111.3	V591 I592 Y593 R594 I671 I682	L382-V591 HydrophobicContact CD1-CG1 3.79Å; L382-V591 HydrophobicContact CG-CG1 4.28Å; L382-I592 WeakPolarHBondContact CA-O 3.2Å; L382-I592 WeakPolarHBondContact CB-O 3.34Å; L382-I592 PolarHBondContact N-O 3.12Å; L382-Y593 HydrophobicContact CD1-CE1 4.39Å; L382-Y593 CarbonylContact O-C 3.54Å; L382-Y593 WeakPolarHBondContact O-CA 3.5Å; L382-R594 PolarHBondContact O-N 2.94Å; L382-I671 HydrophobicContact CD1-CD1 4.48Å; L382-I671 HydrophobicContact CD1-CG1 4.5Å; L382-I682 HydrophobicContact CB-CG2 4.24Å; L382-I682 HydrophobicContact CD2-CG2 4.14Å
383	I	89.5	Confident	82.4	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	121.6	172.2	-54.3	152.9	0	0	0	106.9	W385 I596 Y606 L653 I682 S683 H685	I383-W385 HydrophobicContact CG2-CD2 4.17Å; I383-W385 HydrophobicContact CG2-CZ2 3.86Å; I383-I596 HydrophobicContact CG2-CD1 3.58Å; I383-I596 HydrophobicContact CG2-CG1 4.17Å; I383-Y606 HydrophobicContact CD1-CE1 4.13Å; I383-Y606 HydrophobicContact CD1-CE2 4.35Å; I383-Y606 WeakPolarHBondContact CD1-OH 3.43Å; I383-L653 HydrophobicContact CD1-CD1 4.32Å; I383-I682 VanDerWaalsContact O-CA 3.31Å; I383-I682 WeakPolarHBondContact O-CA 2.87Å; I383-S683 WeakPolarHBondContact CB-O 3.43Å; I383-S683 PolarHBondContact N-O 3.34Å; I383-S683 PolarHBondContact O-N 2.84Å; I383-H685 HydrophobicContact CD1-CB 3.98Å; I383-H685 HydrophobicContact CG1-CB 3.94Å
384	V	89.9	Confident	83.3	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	114.5	175	-177.5	0	0	0	0	108.8	T386 F475 Y593 R594 L595 I596 M679	V384-T386 HydrophobicContact CG1-CG2 4.1Å; V384-T386 PolarHBondContact O-N 3.18Å; V384-F475 HydrophobicContact CB-CE1 4.31Å; V384-F475 HydrophobicContact CG1-CD1 4.21Å; V384-F475 HydrophobicContact CG1-CE1 3.69Å; V384-F475 HydrophobicContact CG1-CE2 4.23Å; V384-F475 HydrophobicContact CG1-CZ 3.72Å; V384-F475 HydrophobicContact CG2-CE1 4.33Å; V384-F475 HydrophobicContact CG2-CZ 4.4Å; V384-Y593 HydrophobicContact CG2-CD1 4.33Å; V384-R594 PolarHBondContact N-O 3.38Å; V384-L595 HydrophobicContact CB-CD2 4.01Å; V384-L595 HydrophobicContact CG1-CD2 4.44Å; V384-L595 HydrophobicContact CG2-CD2 4.48Å; V384-I596 PolarHBondContact O-N 3.2Å; V384-I596 VanDerWaalsContact O-N 3.13Å; V384-M679 HydrophobicContact CG1-CB 4.31Å; V384-M679 HydrophobicContact CG1-CE 3.53Å; V384-M679 HydrophobicContact CG1-SD 4.32Å
385	W	88.9	Confident	84.1	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	110.9	179.2	-63.1	96.8	0	0	0	109.2	I383 I596 E603 Y606 S647 T649 Q650 F680 G681 S683	I383-W385 HydrophobicContact CG2-CD2 4.17Å; I383-W385 HydrophobicContact CG2-CZ2 3.86Å; W385-I596 HydrophobicContact CE3-CB 4.21Å; W385-I596 HydrophobicContact CE3-CG2 4.09Å; W385-I596 HydrophobicContact CH2-CD1 4.42Å; W385-I596 HydrophobicContact CZ3-CB 4.23Å; W385-I596 HydrophobicContact CZ3-CG2 3.72Å; W385-E603 HydrophobicContact CH2-CG 4.07Å; W385-E603 HydrophobicContact CZ3-CB 4.19Å; W385-E603 HydrophobicContact CZ3-CG 3.77Å; W385-Y606 HydrophobicContact CH2-CD1 4.31Å; W385-S647 VanDerWaalsContact CZ3-OG 3.31Å; W385-S647 WeakPolarHBondContact CZ3-OG 3.23Å; W385-T649 HydrophobicContact CH2-CG2 3.94Å; W385-T649 HydrophobicContact CZ2-CG2 4.14Å; W385-Q650 HydrophobicContact CB-CG 4.48Å; W385-Q650 HydrophobicContact CD2-CB 3.85Å; W385-Q650 HydrophobicContact CD2-CG 4.18Å; W385-Q650 HydrophobicContact CG-CB 3.96Å; W385-Q650 HydrophobicContact CG-CG 3.76Å; W385-Q650 HydrophobicContact CZ2-CB 4.15Å; W385-F680 HydrophobicContact CB-CB 4.01Å; W385-F680 HydrophobicContact CB-CD1 4.08Å; W385-F680 PolarHBondContact O-N 3.42Å; W385-G681 PolarHBondContact N-O 3.3Å; W385-S683 PolarHBondContact NE1-OG 2.93Å
386	T	89.4	Confident	84.8	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.006	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	147.3	-174.5	58	0	0	0	0	111.2	V384 F475 I596 T597 C598	V384-T386 HydrophobicContact CG1-CG2 4.1Å; V384-T386 PolarHBondContact O-N 3.18Å; T386-F475 HydrophobicContact CG2-CB 4.3Å; T386-F475 HydrophobicContact CG2-CD1 4.21Å; T386-F475 HydrophobicContact CG2-CG 4.24Å; T386-I596 PolarHBondContact N-O 3.48Å; T386-I596 PolarHBondContact OG1-O 3.41Å; T386-T597 WeakPolarHBondContact O-CA 3.39Å; T386-C598 PolarHBondContact O-N 3.45Å; T386-C598 PolarHBondContact O-SG 2.9Å
387	Y	87.7	Confident	85.3	Confident	65 Å²	65	28.9 Å²	28.9	26%	0.255	15%	0.148	S	C	.	.	P	Polyproline II helix	trans	-82.6	149.4	173.9	-61.4	-77.8	0	0	0	111	H678 F680	Y387-H678 AromaticContact CD2-CE1 3.62Å; Y387-H678 AromaticContact CD2-ND1 3.31Å; Y387-H678 VanDerWaalsContact CD2-ND1 3.31Å; Y387-H678 WeakPolarHBondContact CD2-ND1 3.18Å; Y387-H678 WeakPolarHBondContact CD2-O 3.47Å; Y387-H678 AromaticContact CE2-CE1 3.8Å; Y387-H678 AromaticContact CE2-ND1 3.56Å; Y387-F680 HydrophobicContact CE1-CB 3.97Å; Y387-F680 AromaticContact CE1-CD2 3.93Å; Y387-F680 HydrophobicContact CE1-CD2 3.93Å; Y387-F680 HydrophobicContact CE1-CG 4.39Å; Y387-F680 HydrophobicContact CE2-CB 4.22Å
388	L	86.1	Confident	85.5	Confident	14 Å²	14	31.7 Å²	31.7	7%	0.073	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-73.7	138.4	168.7	-158.7	60.9	0	0	0	109.3	Q392 E393 Y396 T597 T600 P644	L388-Q392 HydrophobicContact CD1-CB 3.54Å; L388-Q392 HydrophobicContact CD1-CG 4.23Å; L388-Q392 HydrophobicContact CD2-CB 4.3Å; L388-Q392 HydrophobicContact CG-CB 3.53Å; L388-E393 HydrophobicContact CD2-CB 4.24Å; L388-Y396 HydrophobicContact CD2-CD2 4.41Å; L388-Y396 HydrophobicContact CD2-CG 4.4Å; L388-T597 HydrophobicContact CD1-CG2 4.26Å; L388-T600 HydrophobicContact CD1-CG2 4.28Å; L388-T600 HydrophobicContact CD2-CG2 4.15Å; L388-P644 HydrophobicContact CB-CB 4.37Å
389	S	86.6	Confident	85.3	Confident	23 Å²	23	29.6 Å²	29.6	16%	0.161	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-64.7	154.4	172.9	-176.9	0	0	0	0	110.4	V391 Q392 E393 S468	S389-V391 VanDerWaalsContact C-N 3.25Å; S389-V391 PolarHBondContact O-N 2.81Å; S389-Q392 VanDerWaalsContact CB-OE1 3.29Å; S389-Q392 CarbonylContact O-C 3.6Å; S389-Q392 WeakPolarHBondContact O-CA 3.32Å; S389-Q392 WeakPolarHBondContact O-CB 3.49Å; S389-Q392 PolarHBondContact O-N 2.98Å; S389-E393 PolarHBondContact O-N 3.45Å; S389-S468 PolarHBondContact OG-O 3.43Å
390	A	83.8	Confident	84.8	Confident	64 Å²	64	29.3 Å²	29.3	53%	0.529	15%	0.152	S	C	.	.	H	α-helix	trans	-57	-40.6	178.3	0	0	0	0	0	112	E393 D394	A390-E393 PolarHBondContact O-N 3.08Å; A390-D394 PolarHBondContact O-N 2.98Å
391	V	83	Confident	84.3	Confident	54 Å²	54	31.7 Å²	31.7	33%	0.327	17%	0.17	S	C	.	.	H	α-helix	trans	-63.3	-42.3	175.7	-179.2	0	0	0	0	111.2	S389 I395 L442	S389-V391 VanDerWaalsContact C-N 3.25Å; S389-V391 PolarHBondContact O-N 2.81Å; V391-I395 HydrophobicContact CG1-CD1 4.02Å; V391-I395 VanDerWaalsContact O-CG1 3.26Å; V391-I395 WeakPolarHBondContact O-CG1 3.38Å; V391-I395 PolarHBondContact O-N 2.9Å; V391-L442 HydrophobicContact CG1-CD2 3.51Å
392	Q	86.7	Confident	83.7	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-65.8	-40.3	174.2	-71.7	172	-61.2	0	0	111.8	L388 S389 I395 Y396 L425 C426 P429 E469	L388-Q392 HydrophobicContact CD1-CB 3.54Å; L388-Q392 HydrophobicContact CD1-CG 4.23Å; L388-Q392 HydrophobicContact CD2-CB 4.3Å; L388-Q392 HydrophobicContact CG-CB 3.53Å; S389-Q392 VanDerWaalsContact CB-OE1 3.29Å; S389-Q392 CarbonylContact O-C 3.6Å; S389-Q392 WeakPolarHBondContact O-CA 3.32Å; S389-Q392 WeakPolarHBondContact O-CB 3.49Å; S389-Q392 PolarHBondContact O-N 2.98Å; Q392-I395 PolarHBondContact O-N 2.86Å; Q392-Y396 WeakPolarHBondContact O-CB 3.43Å; Q392-Y396 PolarHBondContact O-N 3.29Å; Q392-L425 HydrophobicContact CG-CD1 4.46Å; Q392-L425 PolarHBondContact NE2-O 3.13Å; Q392-C426 PolarHBondContact NE2-O 3.42Å; Q392-P429 HydrophobicContact CG-CG 3.66Å; Q392-E469 WeakPolarHBondContact CG-O 3.3Å
393	E	84.8	Confident	82.3	Confident	18 Å²	18	39.8 Å²	39.8	8%	0.084	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-46.2	178.4	-174	-179.4	178.1	0	0	111	L388 S389 A390 Y396 R397 P644 R645	L388-E393 HydrophobicContact CD2-CB 4.24Å; S389-E393 PolarHBondContact O-N 3.45Å; A390-E393 PolarHBondContact O-N 3.08Å; E393-Y396 PolarHBondContact O-N 3.2Å; E393-R397 WeakPolarHBondContact O-CB 3.2Å; E393-R397 VanDerWaalsContact O-CG 3.23Å; E393-R397 WeakPolarHBondContact O-CG 3.38Å; E393-R397 PolarHBondContact O-N 3.36Å; E393-R397 IonicContact OE1-CZ 3.99Å; E393-R397 VanDerWaalsContact OE1-CZ 3.28Å; E393-R397 IonicContact OE1-NE 3.43Å; E393-R397 PolarHBondContact OE1-NE 3.02Å; E393-R397 IonicContact OE1-NH2 3.75Å; E393-R397 PolarHBondContact OE1-NH2 3.22Å; E393-P644 HydrophobicContact CG-CG 4.06Å; E393-P644 WeakPolarHBondContact OE1-CG 3.49Å; E393-R645 IonicContact OE1-NH1 3.18Å; E393-R645 PolarHBondContact OE1-NH1 2.99Å; E393-R645 IonicContact OE2-CZ 3.52Å; E393-R645 VanDerWaalsContact OE2-CZ 3.31Å; E393-R645 IonicContact OE2-NH1 2.73Å; E393-R645 PolarHBondContact OE2-NH1 2.97Å; E393-R645 VanDerWaalsContact OE2-NH1 3.08Å; E393-R645 IonicContact OE2-NH2 2.71Å; E393-R645 PolarHBondContact OE2-NH2 3.4Å
394	D	82.6	Confident	81.1	Confident	95 Å²	95	42.5 Å²	42.5	51%	0.508	23%	0.225	S	C	.	.	H	α-helix	trans	-63.8	-45.5	178.4	-75.9	-29	0	0	0	112	A390 R397 Q398	A390-D394 PolarHBondContact O-N 2.98Å; D394-R397 PolarHBondContact O-N 3.28Å; D394-Q398 WeakPolarHBondContact O-CB 3.05Å; D394-Q398 VanDerWaalsContact O-CG 3.24Å; D394-Q398 WeakPolarHBondContact O-CG 3.39Å; D394-Q398 PolarHBondContact O-N 3.02Å
395	I	82	Confident	79.8	Confident	5 Å²	5	42.7 Å²	42.7	3%	0.026	23%	0.226	C	C	.	.	H	α-helix	trans	-66.3	-40.8	177.9	-61.8	169.7	0	0	0	111	V391 Q392 R397 Q398 F399 L425 P429 L432 F440 L442	V391-I395 HydrophobicContact CG1-CD1 4.02Å; V391-I395 VanDerWaalsContact O-CG1 3.26Å; V391-I395 WeakPolarHBondContact O-CG1 3.38Å; V391-I395 PolarHBondContact O-N 2.9Å; Q392-I395 PolarHBondContact O-N 2.86Å; I395-R397 VanDerWaalsContact C-N 3.34Å; I395-R397 PolarHBondContact O-N 3.03Å; I395-Q398 PolarHBondContact O-N 3.44Å; I395-F399 WeakPolarHBondContact O-CB 3.31Å; I395-F399 PolarHBondContact O-N 2.87Å; I395-L425 HydrophobicContact CB-CD1 4.12Å; I395-L425 HydrophobicContact CB-CD2 4.14Å; I395-L425 HydrophobicContact CG2-CD1 3.87Å; I395-L425 HydrophobicContact CG2-CD2 3.7Å; I395-L425 HydrophobicContact CG2-CG 4.47Å; I395-P429 HydrophobicContact CD1-CB 4.29Å; I395-L432 HydrophobicContact CG2-CD1 4.46Å; I395-F440 HydrophobicContact CD1-CB 4.38Å; I395-F440 HydrophobicContact CG1-CB 4.18Å; I395-F440 HydrophobicContact CG2-CB 4.41Å; I395-F440 HydrophobicContact CG2-CD1 4.19Å; I395-F440 HydrophobicContact CG2-CD2 3.96Å; I395-F440 HydrophobicContact CG2-CE1 4.5Å; I395-F440 HydrophobicContact CG2-CE2 4.29Å; I395-F440 HydrophobicContact CG2-CG 3.93Å; I395-L442 HydrophobicContact CD1-CD1 3.84Å; I395-L442 HydrophobicContact CD1-CD2 3.95Å; I395-L442 HydrophobicContact CD1-CG 3.95Å
396	Y	82.7	Confident	78.5	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-66.1	-38.8	-179.5	-164.7	-72.3	0	0	0	111	L388 Q392 E393 I400 L422 L425 T600 V601 L641	L388-Y396 HydrophobicContact CD2-CD2 4.41Å; L388-Y396 HydrophobicContact CD2-CG 4.4Å; Q392-Y396 WeakPolarHBondContact O-CB 3.43Å; Q392-Y396 PolarHBondContact O-N 3.29Å; E393-Y396 PolarHBondContact O-N 3.2Å; Y396-I400 HydrophobicContact CD1-CD1 3.67Å; Y396-I400 HydrophobicContact CD1-CG1 4.5Å; Y396-I400 HydrophobicContact CE1-CD1 3.3Å; Y396-I400 HydrophobicContact CE1-CG1 4.43Å; Y396-I400 PolarHBondContact O-N 3.13Å; Y396-L422 HydrophobicContact CD1-CD2 4.42Å; Y396-L422 HydrophobicContact CD2-CD2 3.91Å; Y396-L422 HydrophobicContact CE1-CD2 4.24Å; Y396-L422 HydrophobicContact CE2-CB 4.36Å; Y396-L422 HydrophobicContact CE2-CD2 3.69Å; Y396-L422 HydrophobicContact CG-CD2 4.27Å; Y396-L425 HydrophobicContact CD2-CD2 3.98Å; Y396-L425 HydrophobicContact CD2-CG 4.47Å; Y396-L425 HydrophobicContact CG-CD2 4.26Å; Y396-T600 HydrophobicContact CE2-CG2 4.19Å; Y396-V601 PolarHBondContact OH-N 3.26Å; Y396-L641 HydrophobicContact CD1-CD1 3.97Å; Y396-L641 HydrophobicContact CD1-CD2 4.08Å; Y396-L641 HydrophobicContact CD1-CG 4.42Å; Y396-L641 HydrophobicContact CE1-CB 4.19Å; Y396-L641 HydrophobicContact CE1-CD1 3.73Å; Y396-L641 HydrophobicContact CE1-CD2 4.48Å; Y396-L641 HydrophobicContact CE1-CG 4.34Å
397	R	82.3	Confident	77	Confident	112 Å²	112	53.4 Å²	53.4	42%	0.423	28%	0.275	S	S	.	.	H	α-helix	trans	-66.4	-43.4	172.2	-72.8	176.5	-175.5	-65.2	-2.8	112	E393 D394 I395 S401 L641	E393-R397 WeakPolarHBondContact O-CB 3.2Å; E393-R397 VanDerWaalsContact O-CG 3.23Å; E393-R397 WeakPolarHBondContact O-CG 3.38Å; E393-R397 PolarHBondContact O-N 3.36Å; E393-R397 IonicContact OE1-CZ 3.99Å; E393-R397 VanDerWaalsContact OE1-CZ 3.28Å; E393-R397 IonicContact OE1-NE 3.43Å; E393-R397 PolarHBondContact OE1-NE 3.02Å; E393-R397 IonicContact OE1-NH2 3.75Å; E393-R397 PolarHBondContact OE1-NH2 3.22Å; D394-R397 PolarHBondContact O-N 3.28Å; I395-R397 VanDerWaalsContact C-N 3.34Å; I395-R397 PolarHBondContact O-N 3.03Å; R397-S401 WeakPolarHBondContact O-CB 3.45Å; R397-S401 PolarHBondContact O-N 3.14Å; R397-S401 VanDerWaalsContact O-N 3.09Å; R397-L641 HydrophobicContact CG-CD2 3.64Å
398	Q	79	Confident	75.4	Confident	85 Å²	85	51.8 Å²	51.8	40%	0.397	27%	0.27	S	S	.	.	H	α-helix	trans	-61.6	-48.1	176.2	-75.1	172.5	45.9	0	0	111.4	D394 I395 I400 S401 L402 F440	D394-Q398 WeakPolarHBondContact O-CB 3.05Å; D394-Q398 VanDerWaalsContact O-CG 3.24Å; D394-Q398 WeakPolarHBondContact O-CG 3.39Å; D394-Q398 PolarHBondContact O-N 3.02Å; I395-Q398 PolarHBondContact O-N 3.44Å; Q398-I400 PolarHBondContact O-N 3.36Å; Q398-S401 WeakPolarHBondContact O-CA 2.99Å; Q398-S401 WeakPolarHBondContact O-CB 3.2Å; Q398-S401 PolarHBondContact O-N 3.38Å; Q398-S401 PolarHBondContact O-OG 2.87Å; Q398-L402 PolarHBondContact O-N 3.03Å; Q398-F440 HydrophobicContact CB-CD1 4.43Å; Q398-F440 HydrophobicContact CB-CE1 4.28Å
399	F	78.1	Confident	73.7	Confident	15 Å²	15	55 Å²	55	7%	0.066	29%	0.287	C	S	.	.	H	α-helix	trans	-56.8	-52.8	179	-173.1	-99.2	0	0	0	112	I395 S401 L402 I405 E418 I421 L422 F440	I395-F399 WeakPolarHBondContact O-CB 3.31Å; I395-F399 PolarHBondContact O-N 2.87Å; F399-S401 PolarHBondContact O-N 3.02Å; F399-L402 HydrophobicContact CD2-CD1 4.13Å; F399-L402 VanDerWaalsContact O-CB 3.29Å; F399-L402 WeakPolarHBondContact O-CB 3.37Å; F399-L402 VanDerWaalsContact O-CG 3.31Å; F399-L402 WeakPolarHBondContact O-CG 3.43Å; F399-L402 PolarHBondContact O-N 3.32Å; F399-I405 HydrophobicContact CD1-CD1 3.5Å; F399-I405 VanDerWaalsContact CD1-CD1 3.5Å; F399-I405 HydrophobicContact CD2-CD1 4.05Å; F399-I405 HydrophobicContact CE1-CD1 3.21Å; F399-I405 HydrophobicContact CE2-CD1 3.77Å; F399-I405 HydrophobicContact CG-CD1 3.93Å; F399-I405 HydrophobicContact CZ-CD1 3.36Å; F399-I405 WeakPolarHBondContact O-CD1 3.48Å; F399-E418 HydrophobicContact CE1-CB 4.38Å; F399-E418 HydrophobicContact CZ-CB 4.3Å; F399-I421 HydrophobicContact CD2-CG2 4.18Å; F399-I421 HydrophobicContact CE1-CG2 4.22Å; F399-I421 HydrophobicContact CE2-CB 4.3Å; F399-I421 HydrophobicContact CE2-CD1 4.42Å; F399-I421 HydrophobicContact CE2-CG2 3.46Å; F399-I421 VanDerWaalsContact CE2-CG2 3.46Å; F399-I421 HydrophobicContact CZ-CB 3.88Å; F399-I421 HydrophobicContact CZ-CD1 4.26Å; F399-I421 HydrophobicContact CZ-CG2 3.47Å; F399-I421 VanDerWaalsContact CZ-CG2 3.47Å; F399-L422 HydrophobicContact CD1-CD2 3.45Å; F399-L422 VanDerWaalsContact CD1-CD2 3.45Å; F399-L422 HydrophobicContact CD1-CG 3.97Å; F399-L422 HydrophobicContact CE1-CD1 4.44Å; F399-L422 HydrophobicContact CE1-CD2 3.79Å; F399-L422 HydrophobicContact CE1-CG 3.75Å; F399-L422 HydrophobicContact CG-CD2 4.39Å; F399-F440 HydrophobicContact CD2-CZ 4.23Å
400	I	76	Confident	71.9	Confident	43 Å²	43	62 Å²	62	22%	0.221	32%	0.32	C	S	.	.	H	α-helix	trans	-62.9	-24.1	176.7	-71.3	174.9	0	0	0	112.5	Y396 Q398 L402 L641	Y396-I400 HydrophobicContact CD1-CD1 3.67Å; Y396-I400 HydrophobicContact CD1-CG1 4.5Å; Y396-I400 HydrophobicContact CE1-CD1 3.3Å; Y396-I400 HydrophobicContact CE1-CG1 4.43Å; Y396-I400 PolarHBondContact O-N 3.13Å; Q398-I400 PolarHBondContact O-N 3.36Å; I400-L402 VanDerWaalsContact C-N 3.29Å; I400-L402 PolarHBondContact O-N 3.22Å; I400-L641 HydrophobicContact CD1-CB 4.2Å
401	S	74.9	Confident	70.2	Confident	65 Å²	65	62 Å²	62	46%	0.455	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-8.5	175.7	82.4	0	0	0	0	114.6	R397 Q398 F399 K406	R397-S401 WeakPolarHBondContact O-CB 3.45Å; R397-S401 PolarHBondContact O-N 3.14Å; R397-S401 VanDerWaalsContact O-N 3.09Å; Q398-S401 WeakPolarHBondContact O-CA 2.99Å; Q398-S401 WeakPolarHBondContact O-CB 3.2Å; Q398-S401 PolarHBondContact O-N 3.38Å; Q398-S401 PolarHBondContact O-OG 2.87Å; F399-S401 PolarHBondContact O-N 3.02Å; S401-K406 WeakPolarHBondContact O-CE 3.37Å; S401-K406 PolarHBondContact O-NZ 3.08Å
402	L	75.6	Confident	68.2	Low	58 Å²	58	65.8 Å²	65.8	30%	0.304	34%	0.336	S	S	.	.			trans	-70.3	130.2	179.8	-61.9	171.2	0	0	0	111.3	Q398 F399 I400 H404 I405 K406	Q398-L402 PolarHBondContact O-N 3.03Å; F399-L402 HydrophobicContact CD2-CD1 4.13Å; F399-L402 VanDerWaalsContact O-CB 3.29Å; F399-L402 WeakPolarHBondContact O-CB 3.37Å; F399-L402 VanDerWaalsContact O-CG 3.31Å; F399-L402 WeakPolarHBondContact O-CG 3.43Å; F399-L402 PolarHBondContact O-N 3.32Å; I400-L402 VanDerWaalsContact C-N 3.29Å; I400-L402 PolarHBondContact O-N 3.22Å; L402-H404 VanDerWaalsContact C-N 3.32Å; L402-H404 PolarHBondContact O-N 2.92Å; L402-I405 HydrophobicContact CB-CG1 4.24Å; L402-I405 PolarHBondContact O-N 2.9Å; L402-I405 VanDerWaalsContact O-N 3.08Å; L402-K406 PolarHBondContact O-N 2.98Å
403	D	59.3	Low	66.4	Low	118 Å²	118	72.8 Å²	72.8	63%	0.631	37%	0.367	S	S	*	.	H	α-helix	trans	-67.1	-30.6	-172.1	-66.6	-50.3	0	0	0	113.5	I405 K406 E407	D403-I405 VanDerWaalsContact C-N 3.25Å; D403-I405 PolarHBondContact O-N 2.97Å; D403-K406 WeakPolarHBondContact O-CB 3.43Å; D403-K406 PolarHBondContact O-N 2.69Å; D403-K406 VanDerWaalsContact O-N 3.17Å; D403-K406 IonicContact OD1-NZ 3.43Å; D403-K406 PolarHBondContact OD1-NZ 3.48Å; D403-E407 PolarHBondContact O-N 2.78Å
404	H	63.8	Low	64.9	Low	57 Å²	57	75.6 Å²	75.6	26%	0.264	39%	0.389	S	S	.	.	H	α-helix	trans	-63.2	-31.4	173.5	71.9	-100.3	0	0	0	112.4	L402 E407 L408 L897	L402-H404 VanDerWaalsContact C-N 3.32Å; L402-H404 PolarHBondContact O-N 2.92Å; H404-E407 PolarHBondContact O-N 3.21Å; H404-L408 WeakPolarHBondContact O-CB 3.44Å; H404-L408 VanDerWaalsContact O-CG 3.24Å; H404-L408 WeakPolarHBondContact O-CG 3.48Å; H404-L408 PolarHBondContact O-N 3.43Å; H404-L897 WeakPolarHBondContact ND1-CD2 3.44Å
405	I	62.5	Low	64	Low	5 Å²	5	72.4 Å²	72.4	3%	0.026	37%	0.373	C	S	.	.	H	α-helix	trans	-72.9	-39.5	175.6	-55.6	-165.4	0	0	0	109.9	F399 L402 D403 E407 L408 L409	F399-I405 HydrophobicContact CD1-CD1 3.5Å; F399-I405 VanDerWaalsContact CD1-CD1 3.5Å; F399-I405 HydrophobicContact CD2-CD1 4.05Å; F399-I405 HydrophobicContact CE1-CD1 3.21Å; F399-I405 HydrophobicContact CE2-CD1 3.77Å; F399-I405 HydrophobicContact CG-CD1 3.93Å; F399-I405 HydrophobicContact CZ-CD1 3.36Å; F399-I405 WeakPolarHBondContact O-CD1 3.48Å; L402-I405 HydrophobicContact CB-CG1 4.24Å; L402-I405 PolarHBondContact O-N 2.9Å; L402-I405 VanDerWaalsContact O-N 3.08Å; D403-I405 VanDerWaalsContact C-N 3.25Å; D403-I405 PolarHBondContact O-N 2.97Å; I405-E407 VanDerWaalsContact C-N 3.27Å; I405-E407 PolarHBondContact O-N 2.94Å; I405-L408 PolarHBondContact O-N 2.99Å; I405-L409 HydrophobicContact CG2-CD1 4.19Å; I405-L409 HydrophobicContact CG2-CG 4.43Å; I405-L409 WeakPolarHBondContact O-CB 3.15Å; I405-L409 WeakPolarHBondContact O-CG 3.12Å; I405-L409 PolarHBondContact O-N 3.11Å
406	K	61.7	Low	63.2	Low	94 Å²	94	76.6 Å²	76.6	41%	0.409	40%	0.395	S	S	.	.	H	α-helix	trans	-61.4	-37.3	172.8	-57.4	171	-156.3	154.4	0	111.5	S401 L402 D403 M410	S401-K406 WeakPolarHBondContact O-CE 3.37Å; S401-K406 PolarHBondContact O-NZ 3.08Å; L402-K406 PolarHBondContact O-N 2.98Å; D403-K406 WeakPolarHBondContact O-CB 3.43Å; D403-K406 PolarHBondContact O-N 2.69Å; D403-K406 VanDerWaalsContact O-N 3.17Å; D403-K406 IonicContact OD1-NZ 3.43Å; D403-K406 PolarHBondContact OD1-NZ 3.48Å; K406-M410 VanDerWaalsContact O-CG 3.23Å; K406-M410 WeakPolarHBondContact O-CG 3.44Å; K406-M410 PolarHBondContact O-N 3.39Å
407	E	57.3	Low	62.4	Low	132 Å²	132	78.8 Å²	78.8	62%	0.617	41%	0.413	S	S	*	.	H	α-helix	trans	-70.8	-40.3	174.7	-170.8	174.3	-174	0	0	112.4	D403 H404 I405 L409 M410 T411	D403-E407 PolarHBondContact O-N 2.78Å; H404-E407 PolarHBondContact O-N 3.21Å; I405-E407 VanDerWaalsContact C-N 3.27Å; I405-E407 PolarHBondContact O-N 2.94Å; E407-L409 VanDerWaalsContact C-N 3.31Å; E407-L409 PolarHBondContact O-N 2.89Å; E407-M410 CarbonylContact O-C 3.6Å; E407-M410 PolarHBondContact O-N 3.03Å; E407-T411 HydrophobicContact CG-CG2 4.33Å; E407-T411 WeakPolarHBondContact O-CB 3.46Å; E407-T411 WeakPolarHBondContact O-CG2 3.49Å; E407-T411 PolarHBondContact O-N 2.74Å; E407-T411 PolarHBondContact O-OG1 2.69Å
408	L	55.5	Low	61.8	Low	30 Å²	30	74.4 Å²	74.4	16%	0.157	40%	0.397	C	S	.	.	H	α-helix	trans	-62.8	-36.2	172.7	-74	167.6	0	0	0	112.2	H404 I405 M410 T411 K413 E418	H404-L408 WeakPolarHBondContact O-CB 3.44Å; H404-L408 VanDerWaalsContact O-CG 3.24Å; H404-L408 WeakPolarHBondContact O-CG 3.48Å; H404-L408 PolarHBondContact O-N 3.43Å; I405-L408 PolarHBondContact O-N 2.99Å; L408-M410 PolarHBondContact O-N 2.82Å; L408-T411 WeakPolarHBondContact CA-OG1 3.42Å; L408-T411 PolarHBondContact O-N 2.79Å; L408-K413 HydrophobicContact CD2-CB 3.84Å; L408-K413 HydrophobicContact CD2-CD 3.64Å; L408-K413 HydrophobicContact CD2-CG 4.33Å; L408-E418 HydrophobicContact CD1-CG 4.19Å; L408-E418 WeakPolarHBondContact CD1-OE1 3.46Å
409	L	49.7	Very low	61.6	Low	82 Å²	82	70.5 Å²	70.5	43%	0.429	38%	0.379	S	S	.	.	H	α-helix	trans	-69.7	-18.7	173.1	-67.1	170.6	0	0	0	113.9	I405 E407 F639	I405-L409 HydrophobicContact CG2-CD1 4.19Å; I405-L409 HydrophobicContact CG2-CG 4.43Å; I405-L409 WeakPolarHBondContact O-CB 3.15Å; I405-L409 WeakPolarHBondContact O-CG 3.12Å; I405-L409 PolarHBondContact O-N 3.11Å; E407-L409 VanDerWaalsContact C-N 3.31Å; E407-L409 PolarHBondContact O-N 2.89Å; L409-F639 HydrophobicContact CD1-CB 3.95Å; L409-F639 HydrophobicContact CD1-CG 4.4Å; L409-F639 HydrophobicContact CD2-CB 3.72Å; L409-F639 HydrophobicContact CD2-CD1 3.99Å; L409-F639 HydrophobicContact CD2-CD2 3.22Å; L409-F639 HydrophobicContact CD2-CE1 4.4Å; L409-F639 HydrophobicContact CD2-CE2 3.73Å; L409-F639 HydrophobicContact CD2-CG 3.37Å; L409-F639 HydrophobicContact CD2-CZ 4.28Å; L409-F639 HydrophobicContact CG-CB 4.5Å; L409-F639 HydrophobicContact CG-CG 4.45Å
410	M	48.9	Very low	61.5	Low	171 Å²	171	73.1 Å²	73.1	84%	0.842	39%	0.394	S	S	*	.	H	α-helix	trans	-100.5	-5.9	176.8	-67.5	-70.6	-173.4	0	0	113.3	K406 E407 L408	K406-M410 VanDerWaalsContact O-CG 3.23Å; K406-M410 WeakPolarHBondContact O-CG 3.44Å; K406-M410 PolarHBondContact O-N 3.39Å; E407-M410 CarbonylContact O-C 3.6Å; E407-M410 PolarHBondContact O-N 3.03Å; L408-M410 PolarHBondContact O-N 2.82Å
411	T	47.5	Very low	61.7	Low	63 Å²	63	72.9 Å²	72.9	39%	0.387	39%	0.393	S	S	.	.	S	Bend	trans	-117.4	166.1	-177.2	53.7	0	0	0	0	111.9	E407 L408 K413	E407-T411 HydrophobicContact CG-CG2 4.33Å; E407-T411 WeakPolarHBondContact O-CB 3.46Å; E407-T411 WeakPolarHBondContact O-CG2 3.49Å; E407-T411 PolarHBondContact O-N 2.74Å; E407-T411 PolarHBondContact O-OG1 2.69Å; L408-T411 WeakPolarHBondContact CA-OG1 3.42Å; L408-T411 PolarHBondContact O-N 2.79Å; T411-K413 VanDerWaalsContact C-N 3.28Å; T411-K413 PolarHBondContact O-N 3.06Å
412	T	40.4	Very low	62	Low	133 Å²	133	69.9 Å²	69.9	82%	0.816	37%	0.371	S	S	*	.	S	Bend	trans	-91.1	26.8	-175.5	60.1	0	0	0	0	113.5
413	K	49.6	Very low	62.5	Low	147 Å²	147	67.4 Å²	67.4	64%	0.639	36%	0.358	S	S	*	.	S	Bend	trans	-79.3	157	171.4	-73	-176.6	174.4	-178.3	0	109.9	L408 T411 P415	L408-K413 HydrophobicContact CD2-CB 3.84Å; L408-K413 HydrophobicContact CD2-CD 3.64Å; L408-K413 HydrophobicContact CD2-CG 4.33Å; T411-K413 VanDerWaalsContact C-N 3.28Å; T411-K413 PolarHBondContact O-N 3.06Å; K413-P415 WeakPolarHBondContact O-CD 3.4Å
414	S	53.4	Low	63.8	Low	78 Å²	78	63.4 Å²	63.4	55%	0.545	34%	0.335	S	S	.	.			trans	-78	116.3	178.5	-172.7	0	0	0	0	110.4	L416	S414-L416 PolarHBondContact O-N 3.41Å; S414-L416 WeakPolarHBondContact OG-CD1 3.3Å; S414-L416 WeakPolarHBondContact OG-CG 3.45Å
415	P	64.3	Low	64.8	Low	27 Å²	27	60.8 Å²	60.8	18%	0.175	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	33.2	-171.8	40.6	-38	0	0	0	112.1	K413 E418 L419 F639	K413-P415 WeakPolarHBondContact O-CD 3.4Å; P415-E418 WeakPolarHBondContact CA-OE2 3.28Å; P415-L419 WeakPolarHBondContact O-CD1 3.21Å; P415-L419 VanDerWaalsContact O-CG 3.32Å; P415-L419 WeakPolarHBondContact O-CG 3.35Å; P415-L419 PolarHBondContact O-N 2.96Å; P415-F639 HydrophobicContact CB-CE1 4.38Å; P415-F639 HydrophobicContact CB-CE2 4.27Å; P415-F639 HydrophobicContact CB-CZ 3.63Å; P415-F639 HydrophobicContact CG-CE2 4.08Å; P415-F639 HydrophobicContact CG-CZ 3.79Å
416	L	64.3	Low	66	Low	94 Å²	94	60.6 Å²	60.6	49%	0.492	32%	0.322	S	S	.	.	H	α-helix	trans	-80.3	-30.5	-173.1	-69.1	175.4	0	0	0	112.5	S414 L419 N420	S414-L416 PolarHBondContact O-N 3.41Å; S414-L416 WeakPolarHBondContact OG-CD1 3.3Å; S414-L416 WeakPolarHBondContact OG-CG 3.45Å; L416-L419 HydrophobicContact CD2-CD1 4.19Å; L416-L419 PolarHBondContact O-N 3.5Å; L416-N420 PolarHBondContact O-N 2.87Å; L416-N420 PolarHBondContact O-ND2 3.43Å
417	A	65.9	Low	67.1	Low	46 Å²	46	56.1 Å²	56.1	38%	0.38	30%	0.303	S	S	.	.	H	α-helix	trans	-64.2	-44.3	176.3	0	0	0	0	0	110.6	L419 N420 I421	A417-L419 PolarHBondContact O-N 2.91Å; A417-N420 PolarHBondContact O-N 3.18Å; A417-I421 WeakPolarHBondContact O-CG1 3.42Å; A417-I421 PolarHBondContact O-N 3.05Å
418	E	70.7	Confident	68.5	Low	19 Å²	19	49.9 Å²	49.9	9%	0.089	27%	0.274	C	S	.	.	H	α-helix	trans	-66.9	-37.7	179.4	-59.4	70	-155.3	0	0	111.3	F399 L408 P415 I421 L422 F639	F399-E418 HydrophobicContact CE1-CB 4.38Å; F399-E418 HydrophobicContact CZ-CB 4.3Å; L408-E418 HydrophobicContact CD1-CG 4.19Å; L408-E418 WeakPolarHBondContact CD1-OE1 3.46Å; P415-E418 WeakPolarHBondContact CA-OE2 3.28Å; E418-I421 PolarHBondContact O-N 3.07Å; E418-L422 WeakPolarHBondContact O-CG 3.21Å; E418-L422 PolarHBondContact O-N 2.99Å; E418-F639 HydrophobicContact CB-CE1 4.43Å
419	L	74.4	Confident	69.8	Low	4 Å²	4	48.5 Å²	48.5	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-64.5	-39.4	172.4	-73.1	165.8	0	0	0	112.2	P415 L416 A417 L422 K423 W569 V601 L638 F639	P415-L419 WeakPolarHBondContact O-CD1 3.21Å; P415-L419 VanDerWaalsContact O-CG 3.32Å; P415-L419 WeakPolarHBondContact O-CG 3.35Å; P415-L419 PolarHBondContact O-N 2.96Å; L416-L419 HydrophobicContact CD2-CD1 4.19Å; L416-L419 PolarHBondContact O-N 3.5Å; A417-L419 PolarHBondContact O-N 2.91Å; L419-L422 PolarHBondContact O-N 2.85Å; L419-K423 PolarHBondContact O-N 2.97Å; L419-W569 HydrophobicContact CB-CZ2 4.22Å; L419-W569 HydrophobicContact CD1-CH2 4.1Å; L419-W569 HydrophobicContact CD1-CZ2 4.24Å; L419-V601 HydrophobicContact CD2-CG2 3.54Å; L419-L638 HydrophobicContact CD1-CD1 4.26Å; L419-L638 HydrophobicContact CD2-CB 4.35Å; L419-F639 HydrophobicContact CD1-CE1 4.35Å; L419-F639 HydrophobicContact CD1-CE2 4.37Å; L419-F639 HydrophobicContact CD1-CZ 3.68Å; L419-F639 HydrophobicContact CD2-CD1 4.18Å; L419-F639 HydrophobicContact CD2-CE1 3.53Å; L419-F639 HydrophobicContact CD2-CE2 4.23Å; L419-F639 HydrophobicContact CD2-CZ 3.55Å; L419-F639 HydrophobicContact CG-CE1 3.57Å; L419-F639 HydrophobicContact CG-CE2 4.39Å; L419-F639 HydrophobicContact CG-CZ 3.41Å; L419-F639 VanDerWaalsContact CG-CZ 3.41Å
420	N	75.9	Confident	71	Confident	70 Å²	70	47.5 Å²	47.5	37%	0.374	26%	0.257	S	S	.	.	H	α-helix	trans	-68.1	-36	175.3	-75.1	-24.9	0	0	0	111.8	L416 A417 K423 K424	L416-N420 PolarHBondContact O-N 2.87Å; L416-N420 PolarHBondContact O-ND2 3.43Å; A417-N420 PolarHBondContact O-N 3.18Å; N420-K423 PolarHBondContact O-N 2.7Å; N420-K424 WeakPolarHBondContact O-CG 3.38Å; N420-K424 PolarHBondContact O-N 2.66Å
421	I	80.2	Confident	72.3	Confident	38 Å²	38	40.2 Å²	40.2	20%	0.195	22%	0.221	C	C	.	.	H	α-helix	trans	-64.8	-44.9	171.9	-68.7	164.4	0	0	0	111.3	F399 A417 E418 K423 K424 L425 L432	F399-I421 HydrophobicContact CD2-CG2 4.18Å; F399-I421 HydrophobicContact CE1-CG2 4.22Å; F399-I421 HydrophobicContact CE2-CB 4.3Å; F399-I421 HydrophobicContact CE2-CD1 4.42Å; F399-I421 HydrophobicContact CE2-CG2 3.46Å; F399-I421 VanDerWaalsContact CE2-CG2 3.46Å; F399-I421 HydrophobicContact CZ-CB 3.88Å; F399-I421 HydrophobicContact CZ-CD1 4.26Å; F399-I421 HydrophobicContact CZ-CG2 3.47Å; F399-I421 VanDerWaalsContact CZ-CG2 3.47Å; A417-I421 WeakPolarHBondContact O-CG1 3.42Å; A417-I421 PolarHBondContact O-N 3.05Å; E418-I421 PolarHBondContact O-N 3.07Å; I421-K423 VanDerWaalsContact C-N 3.31Å; I421-K423 PolarHBondContact O-N 2.76Å; I421-K424 WeakPolarHBondContact O-CB 3.4Å; I421-K424 PolarHBondContact O-N 3.49Å; I421-L425 PolarHBondContact O-N 3.41Å; I421-L432 HydrophobicContact CG2-CD2 3.82Å
422	L	82.1	Confident	73.5	Confident	1 Å²	1	38 Å²	38	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-61.4	-38	174.6	-73.3	176.9	0	0	0	112.1	Y396 F399 E418 L419 L425 C426 V601 F639	Y396-L422 HydrophobicContact CD1-CD2 4.42Å; Y396-L422 HydrophobicContact CD2-CD2 3.91Å; Y396-L422 HydrophobicContact CE1-CD2 4.24Å; Y396-L422 HydrophobicContact CE2-CB 4.36Å; Y396-L422 HydrophobicContact CE2-CD2 3.69Å; Y396-L422 HydrophobicContact CG-CD2 4.27Å; F399-L422 HydrophobicContact CD1-CD2 3.45Å; F399-L422 VanDerWaalsContact CD1-CD2 3.45Å; F399-L422 HydrophobicContact CD1-CG 3.97Å; F399-L422 HydrophobicContact CE1-CD1 4.44Å; F399-L422 HydrophobicContact CE1-CD2 3.79Å; F399-L422 HydrophobicContact CE1-CG 3.75Å; F399-L422 HydrophobicContact CG-CD2 4.39Å; E418-L422 WeakPolarHBondContact O-CG 3.21Å; E418-L422 PolarHBondContact O-N 2.99Å; L419-L422 PolarHBondContact O-N 2.85Å; L422-L425 PolarHBondContact O-N 3.06Å; L422-C426 PolarHBondContact O-N 3.22Å; L422-C426 VanDerWaalsContact O-N 3.08Å; L422-C426 PolarHBondContact O-SG 3.36Å; L422-V601 HydrophobicContact CB-CB 4.35Å; L422-V601 HydrophobicContact CB-CG1 3.87Å; L422-F639 HydrophobicContact CD1-CD1 4.22Å
423	K	85.8	Confident	74.6	Confident	7 Å²	7	33.6 Å²	33.6	3%	0.03	18%	0.181	C	C	.	.	H	α-helix	trans	-66.5	-48.8	174.7	-172.9	178.8	172.8	-176.9	0	111.9	L419 N420 I421 L425 C426 D427 D566 P567 I605	L419-K423 PolarHBondContact O-N 2.97Å; N420-K423 PolarHBondContact O-N 2.7Å; I421-K423 VanDerWaalsContact C-N 3.31Å; I421-K423 PolarHBondContact O-N 2.76Å; K423-L425 PolarHBondContact O-N 3.03Å; K423-C426 PolarHBondContact O-N 3.29Å; K423-C426 VanDerWaalsContact O-N 3.08Å; K423-D427 PolarHBondContact O-N 3.04Å; K423-D427 VanDerWaalsContact O-N 3.14Å; K423-D566 WeakPolarHBondContact CE-OD2 3.16Å; K423-D566 IonicContact NZ-OD2 2.71Å; K423-D566 PolarHBondContact NZ-OD2 2.84Å; K423-P567 PolarHBondContact NZ-O 2.85Å; K423-I605 HydrophobicContact CD-CD1 4.43Å
424	K	86.1	Confident	74.9	Confident	34 Å²	34	28 Å²	28	15%	0.148	16%	0.163	C	C	.	.	H	α-helix	trans	-49	-44.8	171.8	-76	173.3	176.5	-174.4	0	110.8	N420 I421 D427 H428 L431 L432 Y496 E890	N420-K424 WeakPolarHBondContact O-CG 3.38Å; N420-K424 PolarHBondContact O-N 2.66Å; I421-K424 WeakPolarHBondContact O-CB 3.4Å; I421-K424 PolarHBondContact O-N 3.49Å; K424-D427 PolarHBondContact O-N 3.39Å; K424-H428 PolarHBondContact O-N 2.92Å; K424-H428 VanDerWaalsContact O-O 3.12Å; K424-L431 HydrophobicContact CB-CB 3.93Å; K424-L431 HydrophobicContact CG-CB 4.25Å; K424-L431 WeakPolarHBondContact O-CD1 3.36Å; K424-L432 HydrophobicContact CB-CD2 4.17Å; K424-Y496 HydrophobicContact CG-CE1 4.06Å; K424-Y496 HydrophobicContact CG-CE2 4.37Å; K424-E890 IonicContact NZ-OE1 2.71Å; K424-E890 PolarHBondContact NZ-OE1 3.07Å; K424-E890 IonicContact NZ-OE2 3.74Å; K424-E890 PolarHBondContact NZ-OE2 3.22Å
425	L	85.5	Confident	74.8	Confident	2 Å²	2	28.8 Å²	28.8	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-68.1	-36.6	180	-178.9	58.7	0	0	0	113.9	Q392 I395 Y396 I421 L422 K423 D427 P429 L432	Q392-L425 HydrophobicContact CG-CD1 4.46Å; Q392-L425 PolarHBondContact NE2-O 3.13Å; I395-L425 HydrophobicContact CB-CD1 4.12Å; I395-L425 HydrophobicContact CB-CD2 4.14Å; I395-L425 HydrophobicContact CG2-CD1 3.87Å; I395-L425 HydrophobicContact CG2-CD2 3.7Å; I395-L425 HydrophobicContact CG2-CG 4.47Å; Y396-L425 HydrophobicContact CD2-CD2 3.98Å; Y396-L425 HydrophobicContact CD2-CG 4.47Å; Y396-L425 HydrophobicContact CG-CD2 4.26Å; I421-L425 PolarHBondContact O-N 3.41Å; L422-L425 PolarHBondContact O-N 3.06Å; K423-L425 PolarHBondContact O-N 3.03Å; L425-D427 VanDerWaalsContact C-N 3.28Å; L425-D427 PolarHBondContact O-N 3.18Å; L425-P429 HydrophobicContact CD1-CB 4.3Å; L425-P429 HydrophobicContact CD1-CG 4.28Å; L425-L432 HydrophobicContact CD1-CD1 4.39Å
426	C	86.3	Confident	74.3	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.4	-34.3	174.8	-65.1	0	0	0	0	112	Q392 L422 K423 T597 E602	Q392-C426 PolarHBondContact NE2-O 3.42Å; L422-C426 PolarHBondContact O-N 3.22Å; L422-C426 VanDerWaalsContact O-N 3.08Å; L422-C426 PolarHBondContact O-SG 3.36Å; K423-C426 PolarHBondContact O-N 3.29Å; K423-C426 VanDerWaalsContact O-N 3.08Å; C426-T597 WeakPolarHBondContact CB-OG1 3.24Å; C426-E602 HydrophobicContact CB-CG 3.89Å
427	D	86.3	Confident	74	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-72.6	-59.2	175.3	-82.2	-17.1	0	0	0	112.7	K423 K424 L425 L431 S470 K472 Y496 V499 Y565 D566	K423-D427 PolarHBondContact O-N 3.04Å; K423-D427 VanDerWaalsContact O-N 3.14Å; K424-D427 PolarHBondContact O-N 3.39Å; L425-D427 VanDerWaalsContact C-N 3.28Å; L425-D427 PolarHBondContact O-N 3.18Å; D427-L431 HydrophobicContact CB-CD1 3.57Å; D427-S470 WeakPolarHBondContact O-CB 3.41Å; D427-S470 PolarHBondContact O-OG 2.92Å; D427-K472 IonicContact OD1-NZ 3.08Å; D427-K472 PolarHBondContact OD1-NZ 3.04Å; D427-Y496 VanDerWaalsContact OD2-CD2 3.31Å; D427-Y496 WeakPolarHBondContact OD2-CD2 3.33Å; D427-Y496 WeakPolarHBondContact OD2-CE2 3.41Å; D427-V499 HydrophobicContact CB-CG2 4.47Å; D427-Y565 HydrophobicContact CB-CE1 3.85Å; D427-Y565 PolarHBondContact O-OH 3.35Å; D427-Y565 WeakPolarHBondContact OD1-CD1 3.39Å; D427-Y565 VanDerWaalsContact OD1-CE1 3.3Å; D427-Y565 WeakPolarHBondContact OD1-CE1 3.4Å; D427-D566 VanDerWaalsContact OD1-CB 3.32Å; D427-D566 WeakPolarHBondContact OD1-CB 3Å; D427-D566 WeakPolarHBondContact OD2-CB 3.28Å
428	H	86.3	Confident	73.4	Confident	2 Å²	2	25.2 Å²	25.2	1%	0.009	15%	0.145	C	C	.	.			trans	-165.8	132.5	177.8	-165.5	-78.6	0	0	0	111.7	K424 R430 L431 L466 E469	K424-H428 PolarHBondContact O-N 2.92Å; K424-H428 VanDerWaalsContact O-O 3.12Å; H428-R430 VanDerWaalsContact C-N 3.29Å; H428-R430 PolarHBondContact ND1-N 3.22Å; H428-R430 PolarHBondContact O-N 3.28Å; H428-R430 VanDerWaalsContact O-N 3.16Å; H428-L431 HydrophobicContact CB-CD1 4.24Å; H428-L431 HydrophobicContact CB-CG 4.09Å; H428-L431 WeakPolarHBondContact O-CB 3.34Å; H428-L431 WeakPolarHBondContact O-CG 2.86Å; H428-L431 PolarHBondContact O-N 3.48Å; H428-L466 PolarHBondContact NE2-O 3.47Å; H428-L466 VanDerWaalsContact NE2-O 3.14Å; H428-E469 IonicContact CE1-OE2 3.69Å; H428-E469 PolarHBondContact CE1-OE2 3.48Å; H428-E469 IonicContact ND1-OE2 2.67Å; H428-E469 IonicContact NE2-OE2 2.94Å
429	P	81.8	Confident	72.6	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-53.1	-40	-178.5	-28.3	34.6	0	0	0	114.8	Q392 I395 L425 L431 L432 L442 E469	Q392-P429 HydrophobicContact CG-CG 3.66Å; I395-P429 HydrophobicContact CD1-CB 4.29Å; L425-P429 HydrophobicContact CD1-CB 4.3Å; L425-P429 HydrophobicContact CD1-CG 4.28Å; P429-L431 PolarHBondContact O-N 3.03Å; P429-L432 WeakPolarHBondContact O-CB 3.37Å; P429-L432 VanDerWaalsContact O-CG 3.31Å; P429-L432 WeakPolarHBondContact O-CG 3.36Å; P429-L432 PolarHBondContact O-N 2.76Å; P429-L432 VanDerWaalsContact O-N 3.11Å; P429-L442 HydrophobicContact CB-CD1 3.86Å; P429-E469 VanDerWaalsContact CD-O 3.28Å; P429-E469 WeakPolarHBondContact CD-O 3.44Å; P429-E469 HydrophobicContact CG-CB 4.27Å; P429-E469 WeakPolarHBondContact CG-O 3.31Å
430	R	76.3	Confident	71.6	Confident	62 Å²	62	31.3 Å²	31.3	23%	0.234	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-71	13.2	176	-62.5	177.9	-179.5	-88	-11.7	116.1	H428 I437 E469	H428-R430 VanDerWaalsContact C-N 3.29Å; H428-R430 PolarHBondContact ND1-N 3.22Å; H428-R430 PolarHBondContact O-N 3.28Å; H428-R430 VanDerWaalsContact O-N 3.16Å; R430-I437 HydrophobicContact CB-CD1 4.43Å; R430-I437 HydrophobicContact CG-CD1 4.35Å; R430-E469 WeakPolarHBondContact CD-OE2 3.45Å; R430-E469 VanDerWaalsContact CG-OE2 3.3Å; R430-E469 WeakPolarHBondContact CG-OE2 3.36Å; R430-E469 IonicContact CZ-OE1 2.65Å; R430-E469 VanDerWaalsContact NE-CD 3.35Å; R430-E469 IonicContact NE-OE1 3.31Å; R430-E469 PolarHBondContact NE-OE1 3.2Å; R430-E469 IonicContact NE-OE2 2.72Å; R430-E469 PolarHBondContact NE-OE2 3.1Å; R430-E469 IonicContact NH2-OE1 3.39Å; R430-E469 PolarHBondContact NH2-OE1 2.72Å
431	L	75.8	Confident	70.5	Confident	18 Å²	18	30.7 Å²	30.7	9%	0.094	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-87.1	-9.2	163.5	-61.6	178.4	0	0	0	112.8	K424 D427 H428 P429 Y496 T498 V499	K424-L431 HydrophobicContact CB-CB 3.93Å; K424-L431 HydrophobicContact CG-CB 4.25Å; K424-L431 WeakPolarHBondContact O-CD1 3.36Å; D427-L431 HydrophobicContact CB-CD1 3.57Å; H428-L431 HydrophobicContact CB-CD1 4.24Å; H428-L431 HydrophobicContact CB-CG 4.09Å; H428-L431 WeakPolarHBondContact O-CB 3.34Å; H428-L431 WeakPolarHBondContact O-CG 2.86Å; H428-L431 PolarHBondContact O-N 3.48Å; P429-L431 PolarHBondContact O-N 3.03Å; L431-Y496 HydrophobicContact CD1-CD2 3.96Å; L431-Y496 HydrophobicContact CD1-CG 4.33Å; L431-T498 WeakPolarHBondContact CD2-OG1 3.43Å; L431-V499 HydrophobicContact CD1-CG2 3.66Å; L431-V499 HydrophobicContact CD2-CG2 3.97Å; L431-V499 HydrophobicContact CG-CG2 4.35Å
432	L	72.4	Confident	69.2	Low	17 Å²	17	30.1 Å²	30.1	9%	0.089	18%	0.18	C	C	.	.	S	Bend	trans	-78.8	158.6	171.2	-55.1	-179.2	0	0	0	110.6	I395 I421 K424 L425 P429 A436 I437 F440	I395-L432 HydrophobicContact CG2-CD1 4.46Å; I421-L432 HydrophobicContact CG2-CD2 3.82Å; K424-L432 HydrophobicContact CB-CD2 4.17Å; L425-L432 HydrophobicContact CD1-CD1 4.39Å; P429-L432 WeakPolarHBondContact O-CB 3.37Å; P429-L432 VanDerWaalsContact O-CG 3.31Å; P429-L432 WeakPolarHBondContact O-CG 3.36Å; P429-L432 PolarHBondContact O-N 2.76Å; P429-L432 VanDerWaalsContact O-N 3.11Å; L432-A436 HydrophobicContact CB-CB 3.97Å; L432-I437 WeakPolarHBondContact O-CD1 3.37Å; L432-F440 HydrophobicContact CD1-CD2 4.33Å; L432-F440 HydrophobicContact CD1-CE2 4.38Å
433	S	62.6	Low	67.5	Low	39 Å²	39	34.4 Å²	34.4	27%	0.273	20%	0.202	S	C	.	.			trans	-65.1	156.8	-180	68.5	0	0	0	0	112.2	N435 A436 I437	S433-N435 PolarHBondContact O-N 2.92Å; S433-N435 VanDerWaalsContact O-N 3.17Å; S433-A436 WeakPolarHBondContact O-CA 3.32Å; S433-A436 WeakPolarHBondContact O-CB 3.34Å; S433-A436 PolarHBondContact O-N 3.31Å; S433-A436 PolarHBondContact OG-N 3.23Å; S433-I437 WeakPolarHBondContact O-CG1 3.39Å; S433-I437 PolarHBondContact O-N 3.15Å
434	A	56.3	Low	65.5	Low	30 Å²	30	42.5 Å²	42.5	25%	0.248	24%	0.241	C	C	.	.	H	α-helix	trans	-50.6	-41.1	177	0	0	0	0	0	112.7	A436 I437 A438 V455	A434-A436 PolarHBondContact O-N 2.8Å; A434-I437 PolarHBondContact O-N 3.46Å; A434-A438 PolarHBondContact O-N 3.26Å; A434-V455 HydrophobicContact CB-CB 3.98Å; A434-V455 HydrophobicContact CB-CG1 3.61Å
435	N	51.3	Low	63.1	Low	95 Å²	95	47.4 Å²	47.4	51%	0.508	27%	0.268	S	S	.	.	H	α-helix	trans	-68	-35.3	178.6	-65.1	-6.2	0	0	0	112.4	S433 Q439	S433-N435 PolarHBondContact O-N 2.92Å; S433-N435 VanDerWaalsContact O-N 3.17Å; N435-Q439 WeakPolarHBondContact O-CB 3.5Å; N435-Q439 VanDerWaalsContact O-CG 3.28Å; N435-Q439 WeakPolarHBondContact O-CG 3.36Å; N435-Q439 PolarHBondContact O-N 3.19Å
436	A	54.2	Low	60.7	Low	11 Å²	11	53.3 Å²	53.3	9%	0.091	31%	0.307	C	S	.	.	H	α-helix	trans	-70.3	-41.5	172.8	0	0	0	0	0	111.7	L432 S433 A434 A438 Q439 F440	L432-A436 HydrophobicContact CB-CB 3.97Å; S433-A436 WeakPolarHBondContact O-CA 3.32Å; S433-A436 WeakPolarHBondContact O-CB 3.34Å; S433-A436 PolarHBondContact O-N 3.31Å; S433-A436 PolarHBondContact OG-N 3.23Å; A434-A436 PolarHBondContact O-N 2.8Å; A436-A438 VanDerWaalsContact C-N 3.28Å; A436-A438 PolarHBondContact O-N 2.72Å; A436-Q439 PolarHBondContact O-N 2.9Å; A436-F440 HydrophobicContact CB-CD2 4.27Å; A436-F440 HydrophobicContact CB-CE2 4.21Å; A436-F440 WeakPolarHBondContact O-CB 3.42Å; A436-F440 WeakPolarHBondContact O-CD2 3.43Å; A436-F440 PolarHBondContact O-N 3.36Å
437	I	56.8	Low	58.3	Low	14 Å²	14	62.5 Å²	62.5	7%	0.072	35%	0.35	C	S	.	.	H	α-helix	trans	-57.2	-43.4	174.6	-67.5	170.8	0	0	0	110.4	R430 L432 S433 A434 G441 L442	R430-I437 HydrophobicContact CB-CD1 4.43Å; R430-I437 HydrophobicContact CG-CD1 4.35Å; L432-I437 WeakPolarHBondContact O-CD1 3.37Å; S433-I437 WeakPolarHBondContact O-CG1 3.39Å; S433-I437 PolarHBondContact O-N 3.15Å; A434-I437 PolarHBondContact O-N 3.46Å; I437-G441 PolarHBondContact O-N 2.73Å; I437-L442 HydrophobicContact CB-CD1 4.45Å; I437-L442 HydrophobicContact CG1-CD1 4.26Å; I437-L442 HydrophobicContact CG2-CB 3.68Å; I437-L442 HydrophobicContact CG2-CD1 4.2Å; I437-L442 PolarHBondContact O-N 2.99Å; I437-L442 VanDerWaalsContact O-N 3.09Å
438	A	54.5	Low	55.9	Low	66 Å²	66	65.9 Å²	65.9	55%	0.545	39%	0.385	S	S	.	.	H	α-helix	trans	-67.1	-45	174.5	0	0	0	0	0	113	A434 A436 F440 G441	A434-A438 PolarHBondContact O-N 3.26Å; A436-A438 VanDerWaalsContact C-N 3.28Å; A436-A438 PolarHBondContact O-N 2.72Å; A438-F440 VanDerWaalsContact C-N 3.35Å; A438-F440 PolarHBondContact O-N 2.82Å; A438-G441 PolarHBondContact O-N 3.38Å
439	Q	53.1	Low	53.6	Low	115 Å²	115	74.5 Å²	74.5	54%	0.537	43%	0.425	S	S	.	.	H	α-helix	trans	-63.4	-36.4	178.3	-78.2	178.6	5.8	0	0	113.2	N435 A436 G441	N435-Q439 WeakPolarHBondContact O-CB 3.5Å; N435-Q439 VanDerWaalsContact O-CG 3.28Å; N435-Q439 WeakPolarHBondContact O-CG 3.36Å; N435-Q439 PolarHBondContact O-N 3.19Å; A436-Q439 PolarHBondContact O-N 2.9Å; Q439-G441 VanDerWaalsContact C-N 3.3Å; Q439-G441 PolarHBondContact O-N 3.07Å
440	F	55	Low	51.6	Low	37 Å²	37	81.7 Å²	81.7	16%	0.162	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	7.1	177.7	-65	-57.1	0	0	0	114	I395 Q398 F399 L432 A436 A438 L442	I395-F440 HydrophobicContact CD1-CB 4.38Å; I395-F440 HydrophobicContact CG1-CB 4.18Å; I395-F440 HydrophobicContact CG2-CB 4.41Å; I395-F440 HydrophobicContact CG2-CD1 4.19Å; I395-F440 HydrophobicContact CG2-CD2 3.96Å; I395-F440 HydrophobicContact CG2-CE1 4.5Å; I395-F440 HydrophobicContact CG2-CE2 4.29Å; I395-F440 HydrophobicContact CG2-CG 3.93Å; Q398-F440 HydrophobicContact CB-CD1 4.43Å; Q398-F440 HydrophobicContact CB-CE1 4.28Å; F399-F440 HydrophobicContact CD2-CZ 4.23Å; L432-F440 HydrophobicContact CD1-CD2 4.33Å; L432-F440 HydrophobicContact CD1-CE2 4.38Å; A436-F440 HydrophobicContact CB-CD2 4.27Å; A436-F440 HydrophobicContact CB-CE2 4.21Å; A436-F440 WeakPolarHBondContact O-CB 3.42Å; A436-F440 WeakPolarHBondContact O-CD2 3.43Å; A436-F440 PolarHBondContact O-N 3.36Å; A438-F440 VanDerWaalsContact C-N 3.35Å; A438-F440 PolarHBondContact O-N 2.82Å; F440-L442 PolarHBondContact O-N 2.89Å
441	G	52	Low	49.5	Very low	56 Å²	56	84.1 Å²	84.1	58%	0.577	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	27.5	171.4	0	0	0	0	0	115	I437 A438 Q439 D443	I437-G441 PolarHBondContact O-N 2.73Å; A438-G441 PolarHBondContact O-N 3.38Å; Q439-G441 VanDerWaalsContact C-N 3.3Å; Q439-G441 PolarHBondContact O-N 3.07Å; G441-D443 PolarHBondContact O-N 2.79Å
442	L	52.3	Low	47.9	Very low	26 Å²	26	92.5 Å²	92.5	14%	0.136	52%	0.52	C	S	.	.			trans	-75.8	-9.2	177.6	-78.8	174	0	0	0	113.8	V391 I395 P429 I437 F440	V391-L442 HydrophobicContact CG1-CD2 3.51Å; I395-L442 HydrophobicContact CD1-CD1 3.84Å; I395-L442 HydrophobicContact CD1-CD2 3.95Å; I395-L442 HydrophobicContact CD1-CG 3.95Å; P429-L442 HydrophobicContact CB-CD1 3.86Å; I437-L442 HydrophobicContact CB-CD1 4.45Å; I437-L442 HydrophobicContact CG1-CD1 4.26Å; I437-L442 HydrophobicContact CG2-CB 3.68Å; I437-L442 HydrophobicContact CG2-CD1 4.2Å; I437-L442 PolarHBondContact O-N 2.99Å; I437-L442 VanDerWaalsContact O-N 3.09Å; F440-L442 PolarHBondContact O-N 2.89Å
443	D	47.7	Very low	46.3	Very low	91 Å²	91	97.2 Å²	97.2	49%	0.487	55%	0.55	S	S	.	.			trans	-102.4	131	177.9	-124.9	-40.9	0	0	0	111.6	G441	G441-D443 PolarHBondContact O-N 2.79Å
444	Q	42.2	Very low	45.2	Very low	178 Å²	178	99.7 Å²	99.7	83%	0.832	56%	0.56	S	S	*	*			trans	-104.8	4	-177.3	-65.9	-168.5	14.8	0	0	113.9	P446	Q444-P446 VanDerWaalsContact O-CD 3.3Å; Q444-P446 WeakPolarHBondContact O-CD 3.45Å
445	N	36.8	Very low	44.7	Very low	137 Å²	137	102 Å²	102	73%	0.733	57%	0.571	S	S	*	*			trans	-116.7	83.3	179.3	-73.8	-24.7	0	0	0	111.8	E447	N445-E447 PolarHBondContact O-N 3.01Å
446	P	35.3	Very low	44.3	Very low	126 Å²	126	104.4 Å²	104.4	82%	0.818	58%	0.577	S	S	*	*			trans	-79.7	7.9	177.1	34.3	-37	0	0	0	114.3	Q444	Q444-P446 VanDerWaalsContact O-CD 3.3Å; Q444-P446 WeakPolarHBondContact O-CD 3.45Å
447	E	35.8	Very low	44	Very low	192 Å²	192	105.8 Å²	105.8	90%	0.897	59%	0.586	S	S	*	*			trans	-125.2	73.7	-176.4	-66.7	-171.7	175.9	0	0	111.2	N445	N445-E447 PolarHBondContact O-N 3.01Å
448	G	34.7	Very low	44	Very low	72 Å²	72	107.6 Å²	107.6	74%	0.742	60%	0.595	S	S	*	*			trans	-158.3	111.3	172.2	0	0	0	0	0	110.7
449	E	38.8	Very low	43.8	Very low	183 Å²	183	107.4 Å²	107.4	86%	0.855	59%	0.594	S	S	*	*			trans	-82.5	135	-176.1	-64.5	-175.3	137.9	0	0	112.5
450	N	39.2	Very low	43.9	Very low	150 Å²	150	107.8 Å²	107.8	80%	0.802	60%	0.599	S	S	*	*			trans	58.9	85.9	153.4	-53.7	-37.2	0	0	0	119.1
451	D	33	Very low	44.5	Very low	113 Å²	113	107.6 Å²	107.6	60%	0.604	60%	0.601	S	S	*	*				-154.6	118.2	125.6	-150.7	-43.5	0	0	0	110.5	T453	D451-T453 PolarHBondContact O-N 3.3Å; D451-T453 PolarHBondContact OD1-N 3.32Å; D451-T453 PolarHBondContact OD1-OG1 3.29Å
452	E	41.9	Very low	45.6	Very low	194 Å²	194	107.6 Å²	107.6	91%	0.907	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-12.4	-179.3	-68.9	-173.3	128.7	0	0	112.8
453	T	38.5	Very low	46.7	Very low	117 Å²	117	108 Å²	108	72%	0.718	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-22.2	-172.4	59.4	0	0	0	0	115	D451	D451-T453 PolarHBondContact O-N 3.3Å; D451-T453 PolarHBondContact OD1-N 3.32Å; D451-T453 PolarHBondContact OD1-OG1 3.29Å
454	D	39.8	Very low	48.1	Very low	90 Å²	90	111.5 Å²	111.5	48%	0.481	61%	0.608	S	S	.	*	S	Bend	trans	-99.8	-2.9	-167.8	-146.8	13	0	0	0	114.2	K456 S457	D454-K456 VanDerWaalsContact C-N 3.27Å; D454-K456 PolarHBondContact O-N 3.21Å; D454-S457 WeakPolarHBondContact O-CB 3.49Å; D454-S457 PolarHBondContact O-N 2.88Å; D454-S457 WeakPolarHBondContact OD1-CB 3.45Å; D454-S457 PolarHBondContact OD1-OG 3.42Å
455	V	44.9	Very low	49.8	Very low	80 Å²	80	105.7 Å²	105.7	49%	0.485	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.9	-19.5	-176	-161.9	0	0	0	0	113.4	A434 S457	A434-V455 HydrophobicContact CB-CB 3.98Å; A434-V455 HydrophobicContact CB-CG1 3.61Å; V455-S457 PolarHBondContact O-N 3.5Å
456	K	43.4	Very low	51.9	Low	144 Å²	144	99.2 Å²	99.2	63%	0.626	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-1.2	169.1	-66.4	-168.9	-176.7	-176.5	0	112.8	D454 I458 E887	D454-K456 VanDerWaalsContact C-N 3.27Å; D454-K456 PolarHBondContact O-N 3.21Å; K456-I458 PolarHBondContact O-N 2.96Å; K456-I458 VanDerWaalsContact O-N 3.11Å; K456-E887 IonicContact NZ-OE1 2.8Å; K456-E887 PolarHBondContact NZ-OE1 2.95Å; K456-E887 IonicContact NZ-OE2 2.86Å; K456-E887 PolarHBondContact NZ-OE2 3.32Å
457	S	47.3	Very low	54.1	Low	41 Å²	41	94.2 Å²	94.2	29%	0.287	52%	0.516	S	S	.	.			trans	-80.6	92.8	-173.1	-161.8	0	0	0	0	113	D454 V455 A459 N460	D454-S457 WeakPolarHBondContact O-CB 3.49Å; D454-S457 PolarHBondContact O-N 2.88Å; D454-S457 WeakPolarHBondContact OD1-CB 3.45Å; D454-S457 PolarHBondContact OD1-OG 3.42Å; V455-S457 PolarHBondContact O-N 3.5Å; S457-A459 PolarHBondContact O-N 3.17Å; S457-A459 WeakPolarHBondContact OG-CB 3.38Å; S457-N460 PolarHBondContact O-N 3.32Å
458	I	56.8	Low	56.4	Low	51 Å²	51	88.3 Å²	88.3	26%	0.262	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-52.2	-24.2	171	-60	166.1	0	0	0	111.4	K456 N460 V461 L466 D501 I502 R505	K456-I458 PolarHBondContact O-N 2.96Å; K456-I458 VanDerWaalsContact O-N 3.11Å; I458-N460 VanDerWaalsContact C-N 3.29Å; I458-N460 PolarHBondContact O-N 2.62Å; I458-V461 PolarHBondContact O-N 3.4Å; I458-L466 HydrophobicContact CG2-CD1 4.12Å; I458-D501 HydrophobicContact CD1-CB 4.28Å; I458-I502 HydrophobicContact CD1-CG1 4.05Å; I458-I502 HydrophobicContact CG2-CG1 4.47Å; I458-R505 PolarHBondContact O-NH1 3.1Å
459	A	51.5	Low	58.8	Low	63 Å²	63	85.2 Å²	85.2	52%	0.521	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-48.5	-45	-179	0	0	0	0	0	113.7	S457 V461 R505	S457-A459 PolarHBondContact O-N 3.17Å; S457-A459 WeakPolarHBondContact OG-CB 3.38Å; A459-V461 VanDerWaalsContact C-N 3.35Å; A459-V461 PolarHBondContact O-N 2.91Å; A459-R505 VanDerWaalsContact CA-NH1 3.32Å; A459-R505 PolarHBondContact O-NH1 2.98Å
460	N	55.8	Low	61.1	Low	123 Å²	123	76.5 Å²	76.5	66%	0.658	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-81.6	-4.2	-165.3	-65.9	-23.9	0	0	0	115.3	S457 I458	S457-N460 PolarHBondContact O-N 3.32Å; I458-N460 VanDerWaalsContact C-N 3.29Å; I458-N460 PolarHBondContact O-N 2.62Å
461	V	65.7	Low	63.3	Low	32 Å²	32	70.1 Å²	70.1	19%	0.194	39%	0.391	C	S	.	.	S	Bend	trans	-103.9	149.4	-178	179.7	0	0	0	0	111.2	I458 A459 T465 L466 R505	I458-V461 PolarHBondContact O-N 3.4Å; A459-V461 VanDerWaalsContact C-N 3.35Å; A459-V461 PolarHBondContact O-N 2.91Å; V461-T465 HydrophobicContact CG1-CG2 4.05Å; V461-L466 HydrophobicContact CB-CD2 4.44Å; V461-L466 HydrophobicContact CG1-CD2 3.99Å; V461-L466 HydrophobicContact CG1-CG 4.07Å; V461-R505 PolarHBondContact O-NH2 2.67Å
462	S	75.2	Confident	66	Low	56 Å²	56	64.7 Å²	64.7	39%	0.392	36%	0.362	S	S	.	.			trans	-73.8	145	-179.3	96.4	0	0	0	0	112.5	E464 T465 L466	S462-E464 PolarHBondContact O-N 3.32Å; S462-E464 PolarHBondContact OG-N 3.28Å; S462-T465 WeakPolarHBondContact O-CB 3.42Å; S462-T465 PolarHBondContact O-N 3.16Å; S462-T465 PolarHBondContact OG-N 2.85Å; S462-T465 PolarHBondContact OG-OG1 3.26Å; S462-L466 PolarHBondContact O-N 3.29Å; S462-L466 VanDerWaalsContact O-N 3.15Å
463	D	75.9	Confident	68.3	Low	35 Å²	35	55.6 Å²	55.6	19%	0.187	32%	0.32	C	S	.	.	H	α-helix	trans	-59.5	-35.3	176.9	-73.5	16.9	0	0	0	111.7	I467 R505 N509	D463-I467 WeakPolarHBondContact O-CD1 3.22Å; D463-I467 WeakPolarHBondContact O-CG1 3.41Å; D463-I467 PolarHBondContact O-N 2.99Å; D463-I467 VanDerWaalsContact O-N 3.1Å; D463-R505 IonicContact OD1-CZ 3.2Å; D463-R505 IonicContact OD1-NE 3.15Å; D463-R505 PolarHBondContact OD1-NE 2.82Å; D463-R505 IonicContact OD1-NH2 2.7Å; D463-R505 PolarHBondContact OD1-NH2 3.13Å; D463-N509 PolarHBondContact OD2-ND2 2.9Å
464	E	76.4	Confident	70.7	Confident	164 Å²	164	53.3 Å²	53.3	77%	0.766	31%	0.305	S	S	*	.	H	α-helix	trans	-67.3	-39.3	178.3	-62.2	-176.4	173.8	0	0	111.8	S462 I467 S468	S462-E464 PolarHBondContact O-N 3.32Å; S462-E464 PolarHBondContact OG-N 3.28Å; E464-I467 PolarHBondContact O-N 3.16Å; E464-S468 PolarHBondContact O-N 2.74Å; E464-S468 PolarHBondContact O-OG 3.14Å
465	T	79	Confident	73.1	Confident	56 Å²	56	49.4 Å²	49.4	34%	0.344	28%	0.284	S	S	.	.	H	α-helix	trans	-61.3	-53.4	175.1	-50.3	0	0	0	0	110.6	V461 S462 I467 S468 E469	V461-T465 HydrophobicContact CG1-CG2 4.05Å; S462-T465 WeakPolarHBondContact O-CB 3.42Å; S462-T465 PolarHBondContact O-N 3.16Å; S462-T465 PolarHBondContact OG-N 2.85Å; S462-T465 PolarHBondContact OG-OG1 3.26Å; T465-I467 VanDerWaalsContact C-N 3.26Å; T465-I467 PolarHBondContact O-N 2.72Å; T465-S468 PolarHBondContact O-N 3.17Å; T465-S468 PolarHBondContact O-OG 3.42Å; T465-E469 HydrophobicContact CG2-CG 4.45Å; T465-E469 WeakPolarHBondContact O-CG 3.46Å; T465-E469 PolarHBondContact O-N 2.88Å
466	L	80.2	Confident	75.3	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-55.3	-41.9	179.1	-64.7	173.9	0	0	0	111.8	H428 I458 V461 S462 E469 I506	H428-L466 PolarHBondContact NE2-O 3.47Å; H428-L466 VanDerWaalsContact NE2-O 3.14Å; I458-L466 HydrophobicContact CG2-CD1 4.12Å; V461-L466 HydrophobicContact CB-CD2 4.44Å; V461-L466 HydrophobicContact CG1-CD2 3.99Å; V461-L466 HydrophobicContact CG1-CG 4.07Å; S462-L466 PolarHBondContact O-N 3.29Å; S462-L466 VanDerWaalsContact O-N 3.15Å; L466-E469 PolarHBondContact O-N 3.4Å; L466-I506 HydrophobicContact CB-CD1 4.35Å
467	I	82.8	Confident	77.5	Confident	22 Å²	22	38.9 Å²	38.9	11%	0.113	23%	0.232	C	C	.	.	H	α-helix	trans	-64.9	-43.5	177.3	-66.2	168.2	0	0	0	111.1	D463 E464 T465 E469 S470 V474 L477 I506 R510	D463-I467 WeakPolarHBondContact O-CD1 3.22Å; D463-I467 WeakPolarHBondContact O-CG1 3.41Å; D463-I467 PolarHBondContact O-N 2.99Å; D463-I467 VanDerWaalsContact O-N 3.1Å; E464-I467 PolarHBondContact O-N 3.16Å; T465-I467 VanDerWaalsContact C-N 3.26Å; T465-I467 PolarHBondContact O-N 2.72Å; I467-E469 VanDerWaalsContact C-N 3.3Å; I467-E469 PolarHBondContact O-N 3.34Å; I467-S470 PolarHBondContact O-N 3.34Å; I467-V474 HydrophobicContact CG2-CG2 3.99Å; I467-V474 WeakPolarHBondContact O-CG2 3.36Å; I467-L477 HydrophobicContact CB-CD1 4.48Å; I467-L477 HydrophobicContact CD1-CD1 3.55Å; I467-L477 HydrophobicContact CG1-CD1 3.49Å; I467-L477 VanDerWaalsContact CG1-CD1 3.49Å; I467-L477 HydrophobicContact CG2-CD1 4.23Å; I467-I506 HydrophobicContact CD1-CG2 3.99Å; I467-I506 HydrophobicContact CG1-CD1 3.98Å; I467-I506 HydrophobicContact CG1-CG2 4.48Å; I467-R510 VanDerWaalsContact CD1-NH2 3.35Å
468	S	83.6	Confident	79.5	Confident	67 Å²	67	38.8 Å²	38.8	47%	0.469	23%	0.234	S	C	.	.	H	α-helix	trans	-68.3	-25.8	178.4	72	0	0	0	0	114.2	S389 E464 T465 S470	S389-S468 PolarHBondContact OG-O 3.43Å; E464-S468 PolarHBondContact O-N 2.74Å; E464-S468 PolarHBondContact O-OG 3.14Å; T465-S468 PolarHBondContact O-N 3.17Å; T465-S468 PolarHBondContact O-OG 3.42Å; S468-S470 VanDerWaalsContact C-N 3.32Å; S468-S470 PolarHBondContact O-N 3.17Å
469	E	84	Confident	81.1	Confident	8 Å²	8	36.4 Å²	36.4	4%	0.037	22%	0.221	C	C	.	.	H	α-helix	trans	-68.5	-24.1	179.4	-77.6	178	-169.4	0	0	113.1	Q392 H428 P429 R430 T465 L466 I467	Q392-E469 WeakPolarHBondContact CG-O 3.3Å; H428-E469 IonicContact CE1-OE2 3.69Å; H428-E469 PolarHBondContact CE1-OE2 3.48Å; H428-E469 IonicContact ND1-OE2 2.67Å; H428-E469 IonicContact NE2-OE2 2.94Å; P429-E469 VanDerWaalsContact CD-O 3.28Å; P429-E469 WeakPolarHBondContact CD-O 3.44Å; P429-E469 HydrophobicContact CG-CB 4.27Å; P429-E469 WeakPolarHBondContact CG-O 3.31Å; R430-E469 WeakPolarHBondContact CD-OE2 3.45Å; R430-E469 VanDerWaalsContact CG-OE2 3.3Å; R430-E469 WeakPolarHBondContact CG-OE2 3.36Å; R430-E469 IonicContact CZ-OE1 2.65Å; R430-E469 VanDerWaalsContact NE-CD 3.35Å; R430-E469 IonicContact NE-OE1 3.31Å; R430-E469 PolarHBondContact NE-OE1 3.2Å; R430-E469 IonicContact NE-OE2 2.72Å; R430-E469 PolarHBondContact NE-OE2 3.1Å; R430-E469 IonicContact NH2-OE1 3.39Å; R430-E469 PolarHBondContact NH2-OE1 2.72Å; T465-E469 HydrophobicContact CG2-CG 4.45Å; T465-E469 WeakPolarHBondContact O-CG 3.46Å; T465-E469 PolarHBondContact O-N 2.88Å; L466-E469 PolarHBondContact O-N 3.4Å; I467-E469 VanDerWaalsContact C-N 3.3Å; I467-E469 PolarHBondContact O-N 3.34Å
470	S	87.9	Confident	83	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.197	C	C	.	.			trans	-130.3	119.3	-178.7	173.1	0	0	0	0	114.4	D427 I467 S468 K472 L473 V474 Y565	D427-S470 WeakPolarHBondContact O-CB 3.41Å; D427-S470 PolarHBondContact O-OG 2.92Å; I467-S470 PolarHBondContact O-N 3.34Å; S468-S470 VanDerWaalsContact C-N 3.32Å; S468-S470 PolarHBondContact O-N 3.17Å; S470-K472 VanDerWaalsContact C-N 3.31Å; S470-K472 PolarHBondContact O-N 3.01Å; S470-L473 WeakPolarHBondContact O-CB 3.48Å; S470-L473 PolarHBondContact O-N 2.95Å; S470-L473 PolarHBondContact OG-N 3.12Å; S470-V474 PolarHBondContact O-N 3.07Å; S470-V474 VanDerWaalsContact O-N 3.07Å; S470-Y565 PolarHBondContact OG-OH 3.29Å
471	G	86.2	Confident	84.6	Confident	15 Å²	15	30 Å²	30	16%	0.155	18%	0.177	C	C	.	.	H	α-helix	trans	-62.4	-34.1	177.8	0	0	0	0	0	113.8	F475	G471-F475 PolarHBondContact O-N 2.77Å
472	K	89.5	Confident	85.7	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.6	-40.9	171.3	-70	-168.4	-175.9	-173.1	0	112	D427 S470 F475 L476 Y565 L595 T597 E602	D427-K472 IonicContact OD1-NZ 3.08Å; D427-K472 PolarHBondContact OD1-NZ 3.04Å; S470-K472 VanDerWaalsContact C-N 3.31Å; S470-K472 PolarHBondContact O-N 3.01Å; K472-F475 PolarHBondContact O-N 2.95Å; K472-L476 WeakPolarHBondContact O-CB 3.14Å; K472-L476 PolarHBondContact O-N 3Å; K472-Y565 HydrophobicContact CB-CE2 3.68Å; K472-Y565 WeakPolarHBondContact CB-OH 3.5Å; K472-Y565 HydrophobicContact CD-CD1 4.43Å; K472-Y565 HydrophobicContact CD-CE1 4.01Å; K472-Y565 HydrophobicContact CD-CE2 4.2Å; K472-Y565 PolarHBondContact NZ-O 3.44Å; K472-L595 HydrophobicContact CD-CB 4.48Å; K472-T597 HydrophobicContact CG-CG2 3.99Å; K472-E602 WeakPolarHBondContact CE-OE2 3.35Å; K472-E602 IonicContact NZ-OE1 3.96Å; K472-E602 PolarHBondContact NZ-OE1 2.76Å; K472-E602 IonicContact NZ-OE2 2.77Å; K472-E602 PolarHBondContact NZ-OE2 3.09Å
473	L	88.9	Confident	86.3	Confident	3 Å²	3	29.1 Å²	29.1	2%	0.016	16%	0.162	C	C	.	.	H	α-helix	trans	-70	-39.9	-177.3	-174.3	57.1	0	0	0	111.9	S470 F475 L476 L477 I502 L503 I506	S470-L473 WeakPolarHBondContact O-CB 3.48Å; S470-L473 PolarHBondContact O-N 2.95Å; S470-L473 PolarHBondContact OG-N 3.12Å; L473-F475 VanDerWaalsContact C-N 3.32Å; L473-F475 PolarHBondContact O-N 3.29Å; L473-L476 PolarHBondContact O-N 3.35Å; L473-L477 HydrophobicContact CD1-CD1 4Å; L473-L477 HydrophobicContact CD1-CG 4.11Å; L473-L477 HydrophobicContact CG-CD1 4.07Å; L473-L477 WeakPolarHBondContact O-CG 3.47Å; L473-L477 PolarHBondContact O-N 2.96Å; L473-L477 VanDerWaalsContact O-N 3.11Å; L473-I502 HydrophobicContact CD2-CG2 3.91Å; L473-L503 HydrophobicContact CD1-CD2 3.53Å; L473-L503 HydrophobicContact CD1-CG 4.47Å; L473-I506 HydrophobicContact CD2-CD1 3.97Å
474	V	89.8	Confident	86.9	Confident	68 Å²	68	31.8 Å²	31.8	41%	0.412	17%	0.169	S	C	.	.	H	α-helix	trans	-52.8	-51.5	169.6	178.7	0	0	0	0	110.6	I467 S470 A478	I467-V474 HydrophobicContact CG2-CG2 3.99Å; I467-V474 WeakPolarHBondContact O-CG2 3.36Å; S470-V474 PolarHBondContact O-N 3.07Å; S470-V474 VanDerWaalsContact O-N 3.07Å; V474-A478 PolarHBondContact O-N 2.83Å
475	F	90.5	Very high	87.4	Confident	8 Å²	8	31.1 Å²	31.1	4%	0.035	17%	0.166	C	C	.	.	H	α-helix	trans	-67	-45.8	-178.3	178.8	-98.2	0	0	0	112.6	V384 T386 G471 K472 L473 L477 A478 L479 L595 L674 M677 M679	V384-F475 HydrophobicContact CB-CE1 4.31Å; V384-F475 HydrophobicContact CG1-CD1 4.21Å; V384-F475 HydrophobicContact CG1-CE1 3.69Å; V384-F475 HydrophobicContact CG1-CE2 4.23Å; V384-F475 HydrophobicContact CG1-CZ 3.72Å; V384-F475 HydrophobicContact CG2-CE1 4.33Å; V384-F475 HydrophobicContact CG2-CZ 4.4Å; T386-F475 HydrophobicContact CG2-CB 4.3Å; T386-F475 HydrophobicContact CG2-CD1 4.21Å; T386-F475 HydrophobicContact CG2-CG 4.24Å; G471-F475 PolarHBondContact O-N 2.77Å; K472-F475 PolarHBondContact O-N 2.95Å; L473-F475 VanDerWaalsContact C-N 3.32Å; L473-F475 PolarHBondContact O-N 3.29Å; F475-L477 VanDerWaalsContact C-N 3.31Å; F475-L477 PolarHBondContact O-N 3.4Å; F475-A478 PolarHBondContact O-N 3.43Å; F475-L479 HydrophobicContact CE1-CB 4.25Å; F475-L479 HydrophobicContact CE1-CD2 3.95Å; F475-L479 HydrophobicContact CZ-CB 4.34Å; F475-L479 HydrophobicContact CZ-CD2 4.39Å; F475-L479 WeakPolarHBondContact O-CB 3.34Å; F475-L479 PolarHBondContact O-N 2.57Å; F475-L595 HydrophobicContact CD1-CD1 4.45Å; F475-L595 HydrophobicContact CD1-CD2 3.69Å; F475-L595 HydrophobicContact CE1-CD2 3.68Å; F475-L674 HydrophobicContact CZ-CD2 4.3Å; F475-M677 HydrophobicContact CD2-CB 4.17Å; F475-M677 HydrophobicContact CD2-SD 4.23Å; F475-M677 HydrophobicContact CE2-CB 3.93Å; F475-M677 HydrophobicContact CE2-CG 4.38Å; F475-M677 HydrophobicContact CE2-SD 3.55Å; F475-M677 VanDerWaalsContact CE2-SD 3.55Å; F475-M677 HydrophobicContact CZ-SD 4.21Å; F475-M679 HydrophobicContact CD2-CE 4.34Å; F475-M679 HydrophobicContact CE2-CE 3.33Å; F475-M679 HydrophobicContact CZ-CE 3.54Å
476	L	91.4	Very high	87.8	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.6	-40.2	-178.1	176.5	58.9	0	0	0	112.2	K472 L473 L479 L480 V492 L503 V563 Y565 L595	K472-L476 WeakPolarHBondContact O-CB 3.14Å; K472-L476 PolarHBondContact O-N 3Å; L473-L476 PolarHBondContact O-N 3.35Å; L476-L479 PolarHBondContact O-N 2.98Å; L476-L480 HydrophobicContact CD1-CD1 3.81Å; L476-L480 HydrophobicContact CD1-CD2 4.48Å; L476-L480 HydrophobicContact CD1-CG 3.84Å; L476-L480 HydrophobicContact CD2-CD1 4.44Å; L476-L480 HydrophobicContact CG-CD1 3.85Å; L476-L480 HydrophobicContact CG-CG 4.3Å; L476-L480 WeakPolarHBondContact O-CB 3.4Å; L476-L480 VanDerWaalsContact O-CG 3.31Å; L476-L480 WeakPolarHBondContact O-CG 3.27Å; L476-L480 PolarHBondContact O-N 3.44Å; L476-V492 HydrophobicContact CD2-CG1 4.31Å; L476-L503 HydrophobicContact CD2-CD1 3.91Å; L476-L503 HydrophobicContact CD2-CD2 3.61Å; L476-L503 HydrophobicContact CD2-CG 4.42Å; L476-L503 HydrophobicContact CG-CD2 4.46Å; L476-V563 HydrophobicContact CD1-CB 4.46Å; L476-V563 HydrophobicContact CD1-CG1 3.98Å; L476-V563 HydrophobicContact CD1-CG2 4.29Å; L476-Y565 HydrophobicContact CB-CE2 4.5Å; L476-Y565 HydrophobicContact CD2-CD2 3.64Å; L476-Y565 HydrophobicContact CD2-CE2 3.85Å; L476-L595 HydrophobicContact CB-CD1 4.34Å
477	L	89.9	Confident	88.1	Confident	3 Å²	3	34.2 Å²	34.2	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-69.2	-42.8	-179.8	-68.4	168.6	0	0	0	111.8	I467 L473 F475 L479 L480 E481 I506 L507	I467-L477 HydrophobicContact CB-CD1 4.48Å; I467-L477 HydrophobicContact CD1-CD1 3.55Å; I467-L477 HydrophobicContact CG1-CD1 3.49Å; I467-L477 VanDerWaalsContact CG1-CD1 3.49Å; I467-L477 HydrophobicContact CG2-CD1 4.23Å; L473-L477 HydrophobicContact CD1-CD1 4Å; L473-L477 HydrophobicContact CD1-CG 4.11Å; L473-L477 HydrophobicContact CG-CD1 4.07Å; L473-L477 WeakPolarHBondContact O-CG 3.47Å; L473-L477 PolarHBondContact O-N 2.96Å; L473-L477 VanDerWaalsContact O-N 3.11Å; F475-L477 VanDerWaalsContact C-N 3.31Å; F475-L477 PolarHBondContact O-N 3.4Å; L477-L479 VanDerWaalsContact C-N 3.28Å; L477-L479 PolarHBondContact O-N 3.02Å; L477-L480 PolarHBondContact O-N 3.3Å; L477-E481 WeakPolarHBondContact O-CB 3.48Å; L477-E481 WeakPolarHBondContact O-CG 3.48Å; L477-E481 PolarHBondContact O-N 3.11Å; L477-I506 HydrophobicContact CD1-CG2 3.78Å; L477-I506 HydrophobicContact CD2-CG2 3.83Å; L477-L507 HydrophobicContact CD2-CD2 3.73Å; L477-L507 HydrophobicContact CD2-CG 4.31Å
478	A	89.1	Confident	88.5	Confident	40 Å²	40	35 Å²	35	33%	0.331	20%	0.197	S	C	.	.	H	α-helix	trans	-61	-37.9	173.8	0	0	0	0	0	112.2	V474 F475 R482 M677	V474-A478 PolarHBondContact O-N 2.83Å; F475-A478 PolarHBondContact O-N 3.43Å; A478-R482 PolarHBondContact O-N 3.47Å; A478-M677 HydrophobicContact CB-SD 4.21Å
479	L	90.7	Very high	88.9	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.6	-49.5	173.4	179.2	62.5	0	0	0	111.9	F475 L476 L477 E481 R482 L483 V563 Y593 L674	F475-L479 HydrophobicContact CE1-CB 4.25Å; F475-L479 HydrophobicContact CE1-CD2 3.95Å; F475-L479 HydrophobicContact CZ-CB 4.34Å; F475-L479 HydrophobicContact CZ-CD2 4.39Å; F475-L479 WeakPolarHBondContact O-CB 3.34Å; F475-L479 PolarHBondContact O-N 2.57Å; L476-L479 PolarHBondContact O-N 2.98Å; L477-L479 VanDerWaalsContact C-N 3.28Å; L477-L479 PolarHBondContact O-N 3.02Å; L479-E481 VanDerWaalsContact C-N 3.34Å; L479-E481 PolarHBondContact O-N 3.19Å; L479-R482 PolarHBondContact O-N 2.89Å; L479-L483 HydrophobicContact CD1-CD1 3.96Å; L479-L483 HydrophobicContact CD1-CG 4.01Å; L479-L483 HydrophobicContact CG-CD1 3.9Å; L479-L483 HydrophobicContact CG-CG 4.31Å; L479-L483 WeakPolarHBondContact O-CB 3.47Å; L479-L483 VanDerWaalsContact O-CG 3.31Å; L479-L483 WeakPolarHBondContact O-CG 3.4Å; L479-L483 PolarHBondContact O-N 3.24Å; L479-V563 HydrophobicContact CD2-CG2 3.97Å; L479-Y593 HydrophobicContact CD1-CE1 4.29Å; L479-Y593 HydrophobicContact CD2-CD1 4.34Å; L479-Y593 HydrophobicContact CD2-CD2 4.09Å; L479-Y593 HydrophobicContact CD2-CE2 4.46Å; L479-Y593 HydrophobicContact CD2-CG 4.02Å; L479-L674 HydrophobicContact CD1-CD2 3.77Å
480	L	91.1	Very high	89.3	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-66.6	-33.3	-178	-72.8	174.1	0	0	0	113	L476 L477 R484 T490 V492 L507 F512 V542	L476-L480 HydrophobicContact CD1-CD1 3.81Å; L476-L480 HydrophobicContact CD1-CD2 4.48Å; L476-L480 HydrophobicContact CD1-CG 3.84Å; L476-L480 HydrophobicContact CD2-CD1 4.44Å; L476-L480 HydrophobicContact CG-CD1 3.85Å; L476-L480 HydrophobicContact CG-CG 4.3Å; L476-L480 WeakPolarHBondContact O-CB 3.4Å; L476-L480 VanDerWaalsContact O-CG 3.31Å; L476-L480 WeakPolarHBondContact O-CG 3.27Å; L476-L480 PolarHBondContact O-N 3.44Å; L477-L480 PolarHBondContact O-N 3.3Å; L480-R484 WeakPolarHBondContact O-CB 3.32Å; L480-R484 PolarHBondContact O-N 3.32Å; L480-R484 VanDerWaalsContact O-N 3.07Å; L480-T490 HydrophobicContact CD2-CG2 3.78Å; L480-V492 HydrophobicContact CD1-CG2 4.38Å; L480-V492 HydrophobicContact CD2-CG2 4.1Å; L480-L507 HydrophobicContact CD1-CD1 3.94Å; L480-L507 HydrophobicContact CD1-CD2 3.96Å; L480-F512 HydrophobicContact CB-CE1 4.26Å; L480-F512 HydrophobicContact CB-CZ 4.36Å; L480-V542 HydrophobicContact CD2-CG2 4.1Å
481	E	89.9	Confident	89.6	Confident	51 Å²	51	33.9 Å²	33.9	24%	0.238	18%	0.182	C	C	.	.	H	α-helix	trans	-66.2	-45	172.9	-73.4	179.7	150.6	0	0	111.2	L477 L479 R484 E485 R510 F512	L477-E481 WeakPolarHBondContact O-CB 3.48Å; L477-E481 WeakPolarHBondContact O-CG 3.48Å; L477-E481 PolarHBondContact O-N 3.11Å; L479-E481 VanDerWaalsContact C-N 3.34Å; L479-E481 PolarHBondContact O-N 3.19Å; E481-R484 WeakPolarHBondContact O-CB 3.39Å; E481-R484 PolarHBondContact O-N 3.33Å; E481-E485 PolarHBondContact O-N 3.07Å; E481-E485 VanDerWaalsContact O-N 3.11Å; E481-R510 WeakPolarHBondContact OE1-CD 3.46Å; E481-R510 IonicContact OE1-CZ 2.7Å; E481-R510 IonicContact OE1-NE 3.28Å; E481-R510 IonicContact OE1-NH1 2.9Å; E481-R510 PolarHBondContact OE1-NH1 3.19Å; E481-R510 IonicContact OE2-NH1 3.98Å; E481-R510 PolarHBondContact OE2-NH1 3.17Å; E481-F512 HydrophobicContact CG-CE2 4.03Å; E481-F512 HydrophobicContact CG-CZ 3.7Å
482	R	87.5	Confident	90	Very high	67 Å²	67	33.1 Å²	33.1	25%	0.253	18%	0.175	S	C	.	.	H	α-helix	trans	-62.3	-47.3	174.2	-173.8	174.5	-143.7	71.9	17.4	112.7	A478 L479 R484 E485 E486 Q673 M677	A478-R482 PolarHBondContact O-N 3.47Å; L479-R482 PolarHBondContact O-N 2.89Å; R482-R484 PolarHBondContact O-N 2.71Å; R482-E485 WeakPolarHBondContact O-CA 3.27Å; R482-E485 WeakPolarHBondContact O-CB 3.12Å; R482-E485 PolarHBondContact O-N 3.26Å; R482-E486 HydrophobicContact CG-CG 4.41Å; R482-E486 WeakPolarHBondContact CG-OE1 3.3Å; R482-E486 IonicContact NE-OE1 2.62Å; R482-E486 WeakPolarHBondContact O-CG 3.3Å; R482-E486 PolarHBondContact O-N 3.3Å; R482-Q673 VanDerWaalsContact CZ-OE1 3.23Å; R482-M677 HydrophobicContact CB-CE 4.17Å
483	L	89.1	Confident	90.2	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-63	-28.8	179.3	-68.9	179.6	0	0	0	112.3	L479 E486 G487 H488 T490 R561 Y593	L479-L483 HydrophobicContact CD1-CD1 3.96Å; L479-L483 HydrophobicContact CD1-CG 4.01Å; L479-L483 HydrophobicContact CG-CD1 3.9Å; L479-L483 HydrophobicContact CG-CG 4.31Å; L479-L483 WeakPolarHBondContact O-CB 3.47Å; L479-L483 VanDerWaalsContact O-CG 3.31Å; L479-L483 WeakPolarHBondContact O-CG 3.4Å; L479-L483 PolarHBondContact O-N 3.24Å; L483-E486 WeakPolarHBondContact CD2-OE2 3.18Å; L483-G487 PolarHBondContact O-N 2.62Å; L483-H488 WeakPolarHBondContact O-CB 3.36Å; L483-H488 PolarHBondContact O-N 3.38Å; L483-T490 HydrophobicContact CD1-CG2 4.13Å; L483-R561 HydrophobicContact CD1-CB 4.08Å; L483-R561 HydrophobicContact CD1-CG 4.08Å; L483-R561 HydrophobicContact CD2-CG 3.9Å; L483-Y593 HydrophobicContact CD1-CE2 4.12Å
484	R	87.9	Confident	90.3	Very high	92 Å²	92	33 Å²	33	35%	0.347	17%	0.174	S	C	.	.	H	α-helix	trans	-69.7	-39.4	170.9	178.9	-178.8	64.9	179.9	-1.9	112.1	L480 E481 R482 G487 R510 F512	L480-R484 WeakPolarHBondContact O-CB 3.32Å; L480-R484 PolarHBondContact O-N 3.32Å; L480-R484 VanDerWaalsContact O-N 3.07Å; E481-R484 WeakPolarHBondContact O-CB 3.39Å; E481-R484 PolarHBondContact O-N 3.33Å; R482-R484 PolarHBondContact O-N 2.71Å; R484-G487 PolarHBondContact O-N 2.74Å; R484-R510 PolarHBondContact NH1-O 2.89Å; R484-F512 HydrophobicContact CB-CE1 4.03Å; R484-F512 HydrophobicContact CG-CE1 4.42Å
485	E	87.4	Confident	90.2	Very high	150 Å²	150	32.2 Å²	32.2	70%	0.701	17%	0.166	S	C	*	.	H	α-helix	trans	-68	-37	175.1	-69.7	173.7	178.1	0	0	112.2	E481 R482 G487	E481-E485 PolarHBondContact O-N 3.07Å; E481-E485 VanDerWaalsContact O-N 3.11Å; R482-E485 WeakPolarHBondContact O-CA 3.27Å; R482-E485 WeakPolarHBondContact O-CB 3.12Å; R482-E485 PolarHBondContact O-N 3.26Å; E485-G487 PolarHBondContact O-N 2.97Å
486	E	85.9	Confident	90.1	Very high	57 Å²	57	34.2 Å²	34.2	27%	0.266	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-5.1	171.3	-66.8	172.6	-171.7	0	0	113.3	R482 L483 H488 H670	R482-E486 HydrophobicContact CG-CG 4.41Å; R482-E486 WeakPolarHBondContact CG-OE1 3.3Å; R482-E486 IonicContact NE-OE1 2.62Å; R482-E486 WeakPolarHBondContact O-CG 3.3Å; R482-E486 PolarHBondContact O-N 3.3Å; L483-E486 WeakPolarHBondContact CD2-OE2 3.18Å; E486-H488 VanDerWaalsContact C-N 3.33Å; E486-H488 PolarHBondContact O-CE1 2.95Å; E486-H488 PolarHBondContact O-N 3.3Å; E486-H488 PolarHBondContact O-ND1 3.49Å; E486-H488 IonicContact OE2-CD2 2.79Å; E486-H488 PolarHBondContact OE2-CD2 3.35Å; E486-H488 VanDerWaalsContact OE2-CD2 3.29Å; E486-H488 IonicContact OE2-NE2 2.69Å; E486-H670 IonicContact OE1-CE1 2.67Å; E486-H670 IonicContact OE1-CG 3.26Å; E486-H670 IonicContact OE1-ND1 3.29Å; E486-H670 PolarHBondContact OE1-ND1 3.26Å; E486-H670 IonicContact OE2-CE1 3.3Å; E486-H670 PolarHBondContact OE2-CE1 3.36Å; E486-H670 IonicContact OE2-ND1 2.77Å; E486-H670 PolarHBondContact OE2-ND1 3.26Å
487	G	86.8	Confident	89.9	Confident	65 Å²	65	40.1 Å²	40.1	67%	0.67	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.1	22.1	179	0	0	0	0	0	114.4	L483 R484 E485	L483-G487 PolarHBondContact O-N 2.62Å; R484-G487 PolarHBondContact O-N 2.74Å; E485-G487 PolarHBondContact O-N 2.97Å
488	H	90.6	Very high	89.7	Confident	39 Å²	39	43 Å²	43	18%	0.181	21%	0.214	C	C	.	.			trans	-92.2	152.8	-173.5	-66.8	-14.5	0	0	0	113.1	L483 E486 N560 R561	L483-H488 WeakPolarHBondContact O-CB 3.36Å; L483-H488 PolarHBondContact O-N 3.38Å; E486-H488 VanDerWaalsContact C-N 3.33Å; E486-H488 PolarHBondContact O-CE1 2.95Å; E486-H488 PolarHBondContact O-N 3.3Å; E486-H488 PolarHBondContact O-ND1 3.49Å; E486-H488 IonicContact OE2-CD2 2.79Å; E486-H488 PolarHBondContact OE2-CD2 3.35Å; E486-H488 VanDerWaalsContact OE2-CD2 3.29Å; E486-H488 IonicContact OE2-NE2 2.69Å; H488-N560 WeakPolarHBondContact CB-OD1 3.3Å; H488-N560 PolarHBondContact ND1-ND2 3.1Å; H488-N560 VanDerWaalsContact ND1-ND2 3.17Å; H488-R561 HydrophobicContact CB-CG 3.9Å; H488-R561 VanDerWaalsContact CD2-CZ 3.43Å; H488-R561 PolarHBondContact CD2-NE 2.73Å; H488-R561 PolarHBondContact CD2-NH2 3.07Å; H488-R561 PolarHBondContact NE2-NH2 3.44Å
489	R	92.3	Very high	89.6	Confident	48 Å²	48	41.3 Å²	41.3	18%	0.181	20%	0.199	C	C	.	.			trans	-107.1	121	179	-75.1	-166.1	-66.9	-169.5	-5.7	110.3	F534 Q535 Y540 S541 A558 A559 N560 R561	R489-F534 HydrophobicContact CB-CZ 4.19Å; R489-F534 PolarHBondContact NH1-O 2.86Å; R489-F534 VanDerWaalsContact NH1-O 3.13Å; R489-Q535 PolarHBondContact NH1-O 2.92Å; R489-Q535 VanDerWaalsContact NH1-O 3.08Å; R489-Y540 WeakPolarHBondContact CD-O 3.41Å; R489-S541 WeakPolarHBondContact CA-O 3.45Å; R489-A558 PolarHBondContact NE-O 3.32Å; R489-A558 PolarHBondContact NH2-O 2.81Å; R489-A559 WeakPolarHBondContact O-CA 3.36Å; R489-A559 WeakPolarHBondContact O-CB 3.48Å; R489-N560 PolarHBondContact N-OD1 3.26Å; R489-N560 PolarHBondContact O-N 3.19Å; R489-N560 PolarHBondContact O-OD1 3.31Å; R489-N560 VanDerWaalsContact O-OD1 3.13Å; R489-R561 PolarHBondContact O-N 3.15Å; R489-R561 VanDerWaalsContact O-N 3.14Å
490	T	93.8	Very high	89.6	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.012	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127.9	-166.6	-50.7	0	0	0	0	112	L480 L483 V492 S541 V542 F543 R561 V563	L480-T490 HydrophobicContact CD2-CG2 3.78Å; L483-T490 HydrophobicContact CD1-CG2 4.13Å; T490-V492 HydrophobicContact CG2-CG2 4.29Å; T490-S541 PolarHBondContact N-O 2.93Å; T490-V542 WeakPolarHBondContact O-CA 3.5Å; T490-F543 PolarHBondContact O-N 2.86Å; T490-R561 WeakPolarHBondContact CA-O 2.95Å; T490-R561 HydrophobicContact CG2-CB 4.04Å; T490-V563 HydrophobicContact CG2-CG2 3.96Å
491	L	94.3	Very high	89.5	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	136.4	162.5	-51.9	-174.1	0	0	0	108.9	F493 F534 F543 L545 L556 A559 R561 V562 V563 A581	L491-F493 HydrophobicContact CB-CD2 4.46Å; L491-F493 HydrophobicContact CB-CE2 3.91Å; L491-F493 HydrophobicContact CB-CZ 4.36Å; L491-F493 HydrophobicContact CD1-CE2 3.99Å; L491-F493 HydrophobicContact CD1-CZ 3.95Å; L491-F534 HydrophobicContact CD2-CE1 3.79Å; L491-F534 HydrophobicContact CD2-CZ 3.92Å; L491-F543 HydrophobicContact CD2-CB 3.81Å; L491-F543 HydrophobicContact CD2-CD1 4.25Å; L491-F543 HydrophobicContact CD2-CG 4.45Å; L491-L545 HydrophobicContact CB-CD1 4.28Å; L491-L545 HydrophobicContact CD1-CD1 4.31Å; L491-L545 HydrophobicContact CD2-CD1 4.06Å; L491-L545 HydrophobicContact CG-CD1 4.44Å; L491-L556 HydrophobicContact CD1-CB 3.96Å; L491-L556 HydrophobicContact CD1-CD1 3.74Å; L491-L556 HydrophobicContact CD2-CB 4.41Å; L491-L556 HydrophobicContact CD2-CD1 3.96Å; L491-A559 HydrophobicContact CD1-CB 4.2Å; L491-A559 HydrophobicContact CD2-CB 3.64Å; L491-A559 HydrophobicContact CG-CB 3.55Å; L491-R561 PolarHBondContact N-O 2.83Å; L491-V562 HydrophobicContact CB-CG2 4.49Å; L491-V562 HydrophobicContact CD1-CG2 4.41Å; L491-V562 CarbonylContact O-C 3.5Å; L491-V563 PolarHBondContact O-N 3.11Å; L491-A581 HydrophobicContact CD1-CB 4.06Å
492	V	94.1	Very high	89.4	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	117.2	170.2	-176.2	0	0	0	0	108.3	L476 L480 T490 L503 V542 F543 L544 L545 V563	L476-V492 HydrophobicContact CD2-CG1 4.31Å; L480-V492 HydrophobicContact CD1-CG2 4.38Å; L480-V492 HydrophobicContact CD2-CG2 4.1Å; T490-V492 HydrophobicContact CG2-CG2 4.29Å; V492-L503 HydrophobicContact CG1-CD1 4.25Å; V492-V542 HydrophobicContact CG2-CG1 4.09Å; V492-F543 PolarHBondContact N-O 3.29Å; V492-L544 HydrophobicContact CB-CD2 3.97Å; V492-L544 HydrophobicContact CG1-CD2 4.49Å; V492-L544 HydrophobicContact CG2-CD2 4.33Å; V492-L545 PolarHBondContact O-N 3.16Å; V492-V563 HydrophobicContact CG2-CB 4.45Å
493	F	93.3	Very high	89.5	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	128.4	174.7	-65.6	-76.4	0	0	0	110.3	L491 L545 V562 V563 Y565 A577	L491-F493 HydrophobicContact CB-CD2 4.46Å; L491-F493 HydrophobicContact CB-CE2 3.91Å; L491-F493 HydrophobicContact CB-CZ 4.36Å; L491-F493 HydrophobicContact CD1-CE2 3.99Å; L491-F493 HydrophobicContact CD1-CZ 3.95Å; F493-L545 WeakPolarHBondContact CA-O 3.37Å; F493-L545 HydrophobicContact CD1-CB 3.58Å; F493-L545 HydrophobicContact CD1-CD1 4.42Å; F493-L545 HydrophobicContact CE1-CB 3.57Å; F493-L545 HydrophobicContact CE1-CD1 3.69Å; F493-L545 HydrophobicContact CE1-CG 4.16Å; F493-L545 HydrophobicContact CZ-CD1 3.87Å; F493-V562 HydrophobicContact CD2-CG1 3.76Å; F493-V562 HydrophobicContact CE2-CG1 3.72Å; F493-V563 PolarHBondContact N-O 2.91Å; F493-Y565 WeakPolarHBondContact O-CB 3.32Å; F493-Y565 PolarHBondContact O-N 2.85Å; F493-A577 HydrophobicContact CD1-CB 4.07Å; F493-A577 HydrophobicContact CD2-CB 4Å; F493-A577 HydrophobicContact CE1-CB 3.98Å; F493-A577 HydrophobicContact CE2-CB 3.9Å; F493-A577 HydrophobicContact CG-CB 4.08Å; F493-A577 HydrophobicContact CZ-CB 3.89Å
494	A	91.9	Very high	89.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	157.4	168.4	0	0	0	0	0	110.5	V499 L500 L545 T546 T547 Y565 D566	A494-V499 HydrophobicContact CB-CB 4.47Å; A494-V499 HydrophobicContact CB-CG1 4.29Å; A494-L500 HydrophobicContact CB-CD2 3.86Å; A494-L545 PolarHBondContact N-O 3.41Å; A494-T546 CarbonylContact O-C 3.59Å; A494-T546 WeakPolarHBondContact O-CA 3.45Å; A494-T547 PolarHBondContact O-N 3.03Å; A494-T547 PolarHBondContact O-OG1 3.24Å; A494-Y565 HydrophobicContact CB-CD1 4.41Å; A494-D566 WeakPolarHBondContact CA-OD1 3.37Å
495	H	87.4	Confident	89.5	Confident	51 Å²	51	41.2 Å²	41.2	24%	0.236	21%	0.205	C	C	.	.	S	Bend	trans	-82.1	-48.5	176.9	-68.7	68.4	0	0	0	112.2	T547 D566 S568	H495-T547 PolarHBondContact CE1-OG1 2.94Å; H495-T547 PolarHBondContact ND1-OG1 3.23Å; H495-D566 WeakPolarHBondContact CB-OD2 3.32Å; H495-D566 PolarHBondContact CE1-O 3.45Å; H495-D566 VanDerWaalsContact CE1-O 3.31Å; H495-D566 IonicContact CE1-OD2 3.71Å; H495-D566 IonicContact CG-OD1 2.66Å; H495-D566 IonicContact CG-OD2 2.83Å; H495-D566 PolarHBondContact N-OD1 3.17Å; H495-D566 PolarHBondContact ND1-O 3.16Å; H495-D566 IonicContact ND1-OD1 3.91Å; H495-D566 PolarHBondContact ND1-OD1 3.14Å; H495-D566 IonicContact ND1-OD2 3.18Å; H495-D566 PolarHBondContact ND1-OD2 3.37Å; H495-S568 PolarHBondContact CE1-OG 2.86Å; H495-S568 VanDerWaalsContact CE1-OG 3.23Å; H495-S568 PolarHBondContact NE2-OG 2.9Å
496	Y	87.6	Confident	89.5	Confident	50 Å²	50	34 Å²	34	20%	0.196	17%	0.171	C	C	.	.			trans	-80.9	125.3	-174.4	-53.4	-71.3	0	0	0	112.2	K424 D427 L431 T498 V499	K424-Y496 HydrophobicContact CG-CE1 4.06Å; K424-Y496 HydrophobicContact CG-CE2 4.37Å; D427-Y496 VanDerWaalsContact OD2-CD2 3.31Å; D427-Y496 WeakPolarHBondContact OD2-CD2 3.33Å; D427-Y496 WeakPolarHBondContact OD2-CE2 3.41Å; L431-Y496 HydrophobicContact CD1-CD2 3.96Å; L431-Y496 HydrophobicContact CD1-CG 4.33Å; Y496-T498 VanDerWaalsContact C-N 3.27Å; Y496-T498 PolarHBondContact O-N 3.23Å; Y496-V499 WeakPolarHBondContact O-CB 3.19Å; Y496-V499 PolarHBondContact O-N 3.42Å; Y496-V499 VanDerWaalsContact O-N 3.15Å
497	R	87.3	Confident	89.6	Confident	124 Å²	124	31.3 Å²	31.3	47%	0.468	16%	0.159	S	C	.	.	H	α-helix	trans	-61	-36.1	-179.7	-60	-175.4	-164.9	174.2	6.8	112.5	V499 L500 D501 T546	R497-V499 VanDerWaalsContact C-N 3.28Å; R497-V499 PolarHBondContact O-N 3.03Å; R497-L500 CarbonylContact O-C 3.56Å; R497-L500 WeakPolarHBondContact O-CA 3.27Å; R497-L500 VanDerWaalsContact O-CB 3.28Å; R497-L500 WeakPolarHBondContact O-CB 3.42Å; R497-L500 PolarHBondContact O-N 3.48Å; R497-D501 PolarHBondContact O-N 3.04Å; R497-D501 VanDerWaalsContact O-OD2 3.07Å; R497-T546 HydrophobicContact CG-CG2 4.3Å
498	T	85.2	Confident	89.5	Confident	64 Å²	64	30.1 Å²	30.1	39%	0.393	15%	0.146	S	C	.	.	H	α-helix	trans	-59.4	-31	175.8	32.5	0	0	0	0	113.8	L431 Y496 D501 I502	L431-T498 WeakPolarHBondContact CD2-OG1 3.43Å; Y496-T498 VanDerWaalsContact C-N 3.27Å; Y496-T498 PolarHBondContact O-N 3.23Å; T498-D501 VanDerWaalsContact CA-OD2 3.29Å; T498-D501 WeakPolarHBondContact CA-OD2 3.31Å; T498-D501 PolarHBondContact N-OD2 2.91Å; T498-D501 PolarHBondContact O-N 2.94Å; T498-I502 VanDerWaalsContact O-CG1 3.32Å; T498-I502 WeakPolarHBondContact O-CG1 3.42Å; T498-I502 PolarHBondContact O-N 3.23Å
499	V	88.3	Confident	89.3	Confident	4 Å²	4	33.3 Å²	33.3	2%	0.024	17%	0.165	C	C	.	.	H	α-helix	trans	-67.2	-40.3	169.6	177.5	0	0	0	0	110.6	D427 L431 A494 Y496 R497 D501 I502 L503 Y565	D427-V499 HydrophobicContact CB-CG2 4.47Å; L431-V499 HydrophobicContact CD1-CG2 3.66Å; L431-V499 HydrophobicContact CD2-CG2 3.97Å; L431-V499 HydrophobicContact CG-CG2 4.35Å; A494-V499 HydrophobicContact CB-CB 4.47Å; A494-V499 HydrophobicContact CB-CG1 4.29Å; Y496-V499 WeakPolarHBondContact O-CB 3.19Å; Y496-V499 PolarHBondContact O-N 3.42Å; Y496-V499 VanDerWaalsContact O-N 3.15Å; R497-V499 VanDerWaalsContact C-N 3.28Å; R497-V499 PolarHBondContact O-N 3.03Å; V499-D501 VanDerWaalsContact C-N 3.33Å; V499-I502 PolarHBondContact O-N 3.16Å; V499-L503 HydrophobicContact CG1-CD1 3.95Å; V499-L503 HydrophobicContact CG1-CG 4.4Å; V499-L503 WeakPolarHBondContact O-CB 3.33Å; V499-L503 VanDerWaalsContact O-CG 3.3Å; V499-L503 WeakPolarHBondContact O-CG 3.48Å; V499-L503 PolarHBondContact O-N 3Å; V499-Y565 HydrophobicContact CG1-CD1 3.9Å; V499-Y565 HydrophobicContact CG1-CE1 3.68Å; V499-Y565 HydrophobicContact CG1-CG 4.5Å; V499-Y565 HydrophobicContact CG2-CE1 4.32Å
500	L	90.2	Very high	88.9	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-67.9	-32.1	175.7	-52.8	-175.1	0	0	0	112	A494 R497 L503 Q504 L544 T546	A494-L500 HydrophobicContact CB-CD2 3.86Å; R497-L500 CarbonylContact O-C 3.56Å; R497-L500 WeakPolarHBondContact O-CA 3.27Å; R497-L500 VanDerWaalsContact O-CB 3.28Å; R497-L500 WeakPolarHBondContact O-CB 3.42Å; R497-L500 PolarHBondContact O-N 3.48Å; L500-L503 HydrophobicContact CD2-CD1 4.46Å; L500-Q504 WeakPolarHBondContact O-CB 3.43Å; L500-Q504 PolarHBondContact O-N 2.84Å; L500-L544 HydrophobicContact CD2-CB 4.28Å; L500-T546 HydrophobicContact CD1-CG2 3.64Å
501	D	88.8	Confident	88.4	Confident	60 Å²	60	38.3 Å²	38.3	32%	0.321	20%	0.202	S	C	.	.	H	α-helix	trans	-64.4	-48.2	172.6	-60.7	-48.8	0	0	0	111.5	I458 R497 T498 V499 Q504 R505 R516	I458-D501 HydrophobicContact CD1-CB 4.28Å; R497-D501 PolarHBondContact O-N 3.04Å; R497-D501 VanDerWaalsContact O-OD2 3.07Å; T498-D501 VanDerWaalsContact CA-OD2 3.29Å; T498-D501 WeakPolarHBondContact CA-OD2 3.31Å; T498-D501 PolarHBondContact N-OD2 2.91Å; T498-D501 PolarHBondContact O-N 2.94Å; V499-D501 VanDerWaalsContact C-N 3.33Å; D501-Q504 PolarHBondContact O-N 3.16Å; D501-R505 PolarHBondContact O-N 2.7Å; D501-R505 VanDerWaalsContact O-N 3.08Å; D501-R516 IonicContact OD1-CZ 3.8Å; D501-R516 IonicContact OD1-NH1 2.88Å; D501-R516 PolarHBondContact OD1-NH1 3.44Å; D501-R516 IonicContact OD1-NH2 2.87Å; D501-R516 PolarHBondContact OD1-NH2 3.38Å; D501-R516 IonicContact OD2-NH2 3.04Å
502	I	87.5	Confident	88	Confident	6 Å²	6	38.8 Å²	38.8	3%	0.031	20%	0.204	C	C	.	.	H	α-helix	trans	-59.8	-48.6	175.2	-68.1	166.3	0	0	0	110.7	I458 L473 T498 V499 Q504 R505 I506	I458-I502 HydrophobicContact CD1-CG1 4.05Å; I458-I502 HydrophobicContact CG2-CG1 4.47Å; L473-I502 HydrophobicContact CD2-CG2 3.91Å; T498-I502 VanDerWaalsContact O-CG1 3.32Å; T498-I502 WeakPolarHBondContact O-CG1 3.42Å; T498-I502 PolarHBondContact O-N 3.23Å; V499-I502 PolarHBondContact O-N 3.16Å; I502-Q504 PolarHBondContact O-N 2.98Å; I502-R505 PolarHBondContact O-N 3.07Å; I502-I506 HydrophobicContact CG2-CD1 3.67Å; I502-I506 WeakPolarHBondContact O-CG1 3.42Å; I502-I506 PolarHBondContact O-N 3.23Å
503	L	89.4	Confident	87.7	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.5	-43.1	178	-74.4	171.5	0	0	0	112.1	L473 L476 V492 V499 L500 R505 I506 L507 L544	L473-L503 HydrophobicContact CD1-CD2 3.53Å; L473-L503 HydrophobicContact CD1-CG 4.47Å; L476-L503 HydrophobicContact CD2-CD1 3.91Å; L476-L503 HydrophobicContact CD2-CD2 3.61Å; L476-L503 HydrophobicContact CD2-CG 4.42Å; L476-L503 HydrophobicContact CG-CD2 4.46Å; V492-L503 HydrophobicContact CG1-CD1 4.25Å; V499-L503 HydrophobicContact CG1-CD1 3.95Å; V499-L503 HydrophobicContact CG1-CG 4.4Å; V499-L503 WeakPolarHBondContact O-CB 3.33Å; V499-L503 VanDerWaalsContact O-CG 3.3Å; V499-L503 WeakPolarHBondContact O-CG 3.48Å; V499-L503 PolarHBondContact O-N 3Å; L500-L503 HydrophobicContact CD2-CD1 4.46Å; L503-R505 VanDerWaalsContact C-N 3.33Å; L503-R505 PolarHBondContact O-N 2.81Å; L503-I506 PolarHBondContact O-N 3.43Å; L503-L507 HydrophobicContact CB-CD1 4.35Å; L503-L507 WeakPolarHBondContact O-CB 3.25Å; L503-L507 WeakPolarHBondContact O-CG 3.47Å; L503-L507 PolarHBondContact O-N 3.09Å; L503-L544 HydrophobicContact CB-CD1 4.27Å; L503-L544 HydrophobicContact CB-CD2 4.45Å; L503-L544 HydrophobicContact CD1-CD2 4.47Å
504	Q	90.1	Very high	87.5	Confident	79 Å²	79	45.8 Å²	45.8	37%	0.369	24%	0.235	S	C	.	.	H	α-helix	trans	-61.2	-41	179	174.6	166.9	-9.7	0	0	112	L500 D501 I502 G508 L514 L544	L500-Q504 WeakPolarHBondContact O-CB 3.43Å; L500-Q504 PolarHBondContact O-N 2.84Å; D501-Q504 PolarHBondContact O-N 3.16Å; I502-Q504 PolarHBondContact O-N 2.98Å; Q504-G508 PolarHBondContact O-N 2.64Å; Q504-L514 HydrophobicContact CG-CD1 4Å; Q504-L514 HydrophobicContact CG-CD2 4.33Å; Q504-L544 HydrophobicContact CB-CD1 3.99Å
505	R	87.5	Confident	87.5	Confident	66 Å²	66	46.5 Å²	46.5	25%	0.249	24%	0.239	C	C	.	.	H	α-helix	trans	-62.2	-58.1	173.4	173	-180	160.7	153.4	-0.2	111.4	I458 A459 V461 D463 D501 I502 L503 L507 G508 N509	I458-R505 PolarHBondContact O-NH1 3.1Å; A459-R505 VanDerWaalsContact CA-NH1 3.32Å; A459-R505 PolarHBondContact O-NH1 2.98Å; V461-R505 PolarHBondContact O-NH2 2.67Å; D463-R505 IonicContact OD1-CZ 3.2Å; D463-R505 IonicContact OD1-NE 3.15Å; D463-R505 PolarHBondContact OD1-NE 2.82Å; D463-R505 IonicContact OD1-NH2 2.7Å; D463-R505 PolarHBondContact OD1-NH2 3.13Å; D501-R505 PolarHBondContact O-N 2.7Å; D501-R505 VanDerWaalsContact O-N 3.08Å; I502-R505 PolarHBondContact O-N 3.07Å; L503-R505 VanDerWaalsContact C-N 3.33Å; L503-R505 PolarHBondContact O-N 2.81Å; R505-L507 PolarHBondContact O-N 3.34Å; R505-G508 PolarHBondContact O-N 3.11Å; R505-N509 PolarHBondContact O-N 3.4Å
506	I	87	Confident	87.7	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.7	-42.4	-171.8	-64.5	166.4	0	0	0	111.3	L466 I467 L473 L477 I502 L503 N509 R510	L466-I506 HydrophobicContact CB-CD1 4.35Å; I467-I506 HydrophobicContact CD1-CG2 3.99Å; I467-I506 HydrophobicContact CG1-CD1 3.98Å; I467-I506 HydrophobicContact CG1-CG2 4.48Å; L473-I506 HydrophobicContact CD2-CD1 3.97Å; L477-I506 HydrophobicContact CD1-CG2 3.78Å; L477-I506 HydrophobicContact CD2-CG2 3.83Å; I502-I506 HydrophobicContact CG2-CD1 3.67Å; I502-I506 WeakPolarHBondContact O-CG1 3.42Å; I502-I506 PolarHBondContact O-N 3.23Å; L503-I506 PolarHBondContact O-N 3.43Å; I506-N509 PolarHBondContact O-N 2.97Å; I506-R510 WeakPolarHBondContact O-CB 3.27Å; I506-R510 WeakPolarHBondContact O-CG 3.46Å; I506-R510 PolarHBondContact O-N 3.08Å
507	L	87.9	Confident	87.7	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-68.6	-38	176.9	-65.9	172.6	0	0	0	111.4	L477 L480 L503 R505 R510 G511 F512 L514 V542 L544	L477-L507 HydrophobicContact CD2-CD2 3.73Å; L477-L507 HydrophobicContact CD2-CG 4.31Å; L480-L507 HydrophobicContact CD1-CD1 3.94Å; L480-L507 HydrophobicContact CD1-CD2 3.96Å; L503-L507 HydrophobicContact CB-CD1 4.35Å; L503-L507 WeakPolarHBondContact O-CB 3.25Å; L503-L507 WeakPolarHBondContact O-CG 3.47Å; L503-L507 PolarHBondContact O-N 3.09Å; R505-L507 PolarHBondContact O-N 3.34Å; L507-R510 CarbonylContact O-C 3.6Å; L507-R510 PolarHBondContact O-N 3.2Å; L507-G511 PolarHBondContact O-N 2.9Å; L507-F512 HydrophobicContact CB-CB 3.98Å; L507-F512 HydrophobicContact CB-CD2 4.16Å; L507-F512 HydrophobicContact CB-CG 4.16Å; L507-F512 HydrophobicContact CD2-CD1 4.2Å; L507-F512 HydrophobicContact CD2-CD2 3.75Å; L507-F512 HydrophobicContact CD2-CE1 4.2Å; L507-F512 HydrophobicContact CD2-CE2 3.73Å; L507-F512 HydrophobicContact CD2-CG 3.98Å; L507-F512 HydrophobicContact CD2-CZ 3.96Å; L507-F512 WeakPolarHBondContact O-CB 3.1Å; L507-F512 WeakPolarHBondContact O-CD2 3.48Å; L507-F512 PolarHBondContact O-N 3.33Å; L507-L514 HydrophobicContact CB-CD2 3.86Å; L507-V542 HydrophobicContact CD1-CG1 4.36Å; L507-L544 HydrophobicContact CD1-CD2 4.44Å
508	G	85.5	Confident	87.6	Confident	39 Å²	39	38 Å²	38	40%	0.402	21%	0.205	S	C	.	.	H	α-helix	trans	-59	-49.2	173	0	0	0	0	0	112.3	Q504 R505 R510 G511	Q504-G508 PolarHBondContact O-N 2.64Å; R505-G508 PolarHBondContact O-N 3.11Å; G508-R510 VanDerWaalsContact C-N 3.28Å; G508-R510 PolarHBondContact O-N 3.04Å; G508-G511 PolarHBondContact O-N 3.22Å
509	N	85.8	Confident	87.2	Confident	107 Å²	107	36.8 Å²	36.8	57%	0.572	21%	0.205	S	C	*	.	H	α-helix	trans	-62.4	-33.2	176.8	-69.9	-10.9	0	0	0	112.4	D463 R505 I506 G511	D463-N509 PolarHBondContact OD2-ND2 2.9Å; R505-N509 PolarHBondContact O-N 3.4Å; I506-N509 PolarHBondContact O-N 2.97Å; N509-G511 PolarHBondContact O-N 3.34Å
510	R	84.3	Confident	86.7	Confident	94 Å²	94	40.8 Å²	40.8	36%	0.355	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	14.7	173.1	-67.4	175	175.3	-131.3	4.4	114.2	I467 E481 R484 I506 L507 G508 F512	I467-R510 VanDerWaalsContact CD1-NH2 3.35Å; E481-R510 WeakPolarHBondContact OE1-CD 3.46Å; E481-R510 IonicContact OE1-CZ 2.7Å; E481-R510 IonicContact OE1-NE 3.28Å; E481-R510 IonicContact OE1-NH1 2.9Å; E481-R510 PolarHBondContact OE1-NH1 3.19Å; E481-R510 IonicContact OE2-NH1 3.98Å; E481-R510 PolarHBondContact OE2-NH1 3.17Å; R484-R510 PolarHBondContact NH1-O 2.89Å; I506-R510 WeakPolarHBondContact O-CB 3.27Å; I506-R510 WeakPolarHBondContact O-CG 3.46Å; I506-R510 PolarHBondContact O-N 3.08Å; L507-R510 CarbonylContact O-C 3.6Å; L507-R510 PolarHBondContact O-N 3.2Å; G508-R510 VanDerWaalsContact C-N 3.28Å; G508-R510 PolarHBondContact O-N 3.04Å; R510-F512 HydrophobicContact CB-CD2 3.88Å; R510-F512 HydrophobicContact CB-CE2 3.91Å; R510-F512 PolarHBondContact O-N 2.67Å
511	G	83.3	Confident	86.1	Confident	60 Å²	60	41.9 Å²	41.9	62%	0.619	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.5	16.8	171.7	0	0	0	0	0	115.6	L507 G508 N509	L507-G511 PolarHBondContact O-N 2.9Å; G508-G511 PolarHBondContact O-N 3.22Å; N509-G511 PolarHBondContact O-N 3.34Å
512	F	85.6	Confident	85	Confident	11 Å²	11	44.8 Å²	44.8	5%	0.048	26%	0.255	C	S	.	.			trans	-74.9	129.3	176.3	-72.9	-107.4	0	0	0	111.2	L480 E481 R484 L507 R510 L514 V542	L480-F512 HydrophobicContact CB-CE1 4.26Å; L480-F512 HydrophobicContact CB-CZ 4.36Å; E481-F512 HydrophobicContact CG-CE2 4.03Å; E481-F512 HydrophobicContact CG-CZ 3.7Å; R484-F512 HydrophobicContact CB-CE1 4.03Å; R484-F512 HydrophobicContact CG-CE1 4.42Å; L507-F512 HydrophobicContact CB-CB 3.98Å; L507-F512 HydrophobicContact CB-CD2 4.16Å; L507-F512 HydrophobicContact CB-CG 4.16Å; L507-F512 HydrophobicContact CD2-CD1 4.2Å; L507-F512 HydrophobicContact CD2-CD2 3.75Å; L507-F512 HydrophobicContact CD2-CE1 4.2Å; L507-F512 HydrophobicContact CD2-CE2 3.73Å; L507-F512 HydrophobicContact CD2-CG 3.98Å; L507-F512 HydrophobicContact CD2-CZ 3.96Å; L507-F512 WeakPolarHBondContact O-CB 3.1Å; L507-F512 WeakPolarHBondContact O-CD2 3.48Å; L507-F512 PolarHBondContact O-N 3.33Å; R510-F512 HydrophobicContact CB-CD2 3.88Å; R510-F512 HydrophobicContact CB-CE2 3.91Å; R510-F512 PolarHBondContact O-N 2.67Å; F512-L514 PolarHBondContact O-N 2.95Å; F512-V542 HydrophobicContact CD1-CG2 3.92Å; F512-V542 HydrophobicContact CE1-CG2 4.33Å
513	K	87.1	Confident	84.5	Confident	117 Å²	117	50 Å²	50	51%	0.509	28%	0.279	S	S	.	.			trans	-81.3	96.9	165.5	-73.6	-180	-179.7	178.6	0	108.8	R539 Y540 S541	K513-R539 VanDerWaalsContact CB-O 3.26Å; K513-R539 WeakPolarHBondContact CB-O 3.49Å; K513-R539 HydrophobicContact CD-CB 4.23Å; K513-Y540 HydrophobicContact CB-CD1 4.03Å; K513-Y540 HydrophobicContact CB-CE1 4.24Å; K513-Y540 WeakPolarHBondContact O-CA 3.43Å; K513-S541 PolarHBondContact O-N 3.22Å
514	L	90.3	Very high	83.8	Confident	29 Å²	29	53.1 Å²	53.1	15%	0.152	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	157.5	179.1	65.5	91.4	0	0	0	112.1	Q504 L507 F512 V542 L544	Q504-L514 HydrophobicContact CG-CD1 4Å; Q504-L514 HydrophobicContact CG-CD2 4.33Å; L507-L514 HydrophobicContact CB-CD2 3.86Å; F512-L514 PolarHBondContact O-N 2.95Å; L514-V542 VanDerWaalsContact CA-O 3.3Å; L514-V542 WeakPolarHBondContact CA-O 3.45Å; L514-V542 HydrophobicContact CB-CB 4.42Å; L514-L544 HydrophobicContact CD1-CD1 4.33Å
515	L	91.7	Very high	83.3	Confident	15 Å²	15	53.3 Å²	53.3	8%	0.079	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	159.3	160.9	-66.3	171	0	0	0	109	L530 R533 F534 Y540 V542 F543 L544	L515-L530 HydrophobicContact CD2-CD2 4.15Å; L515-R533 HydrophobicContact CD1-CG 4.43Å; L515-F534 HydrophobicContact CD1-CB 3.78Å; L515-F534 HydrophobicContact CD1-CD2 4.29Å; L515-Y540 HydrophobicContact CD1-CD1 4.05Å; L515-Y540 HydrophobicContact CD1-CD2 4.28Å; L515-Y540 HydrophobicContact CD1-CE1 4.46Å; L515-Y540 HydrophobicContact CD1-CG 3.95Å; L515-Y540 HydrophobicContact CD2-CD1 3.96Å; L515-Y540 HydrophobicContact CD2-CE1 3.68Å; L515-Y540 HydrophobicContact CG-CD1 3.55Å; L515-Y540 HydrophobicContact CG-CE1 3.84Å; L515-Y540 HydrophobicContact CG-CG 3.98Å; L515-V542 PolarHBondContact N-O 3.44Å; L515-F543 HydrophobicContact CB-CD2 3.76Å; L515-F543 HydrophobicContact CB-CE2 3.92Å; L515-F543 HydrophobicContact CB-CG 4.33Å; L515-F543 WeakPolarHBondContact O-CA 3.28Å; L515-L544 PolarHBondContact O-N 3.21Å
516	R	91.3	Very high	83.1	Confident	45 Å²	45	54.4 Å²	54.4	17%	0.17	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	141.8	177.1	176	172.9	171.8	165.2	-3.8	110.4	D501 D518 L544	D501-R516 IonicContact OD1-CZ 3.8Å; D501-R516 IonicContact OD1-NH1 2.88Å; D501-R516 PolarHBondContact OD1-NH1 3.44Å; D501-R516 IonicContact OD1-NH2 2.87Å; D501-R516 PolarHBondContact OD1-NH2 3.38Å; D501-R516 IonicContact OD2-NH2 3.04Å; R516-D518 IonicContact CZ-OD2 2.72Å; R516-D518 VanDerWaalsContact CZ-OD2 3.25Å; R516-D518 IonicContact NE-OD2 2.69Å; R516-D518 PolarHBondContact NE-OD2 3.35Å; R516-D518 IonicContact NH2-OD2 2.95Å; R516-D518 PolarHBondContact NH2-OD2 2.92Å; R516-L544 CarbonylContact C-O 3.43Å; R516-L544 VanDerWaalsContact CA-O 3.31Å; R516-L544 WeakPolarHBondContact CA-O 3.47Å; R516-L544 HydrophobicContact CB-CB 4.32Å; R516-L544 HydrophobicContact CG-CB 4.42Å
517	L	88.5	Confident	82.9	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	109	171.8	173.9	64.6	0	0	0	109.5	I521 R527 F543 L544 L545 T546 V549	L517-I521 HydrophobicContact CD1-CB 4.19Å; L517-I521 HydrophobicContact CD1-CD1 4.07Å; L517-I521 HydrophobicContact CD1-CG2 4.43Å; L517-R527 HydrophobicContact CD1-CB 4.25Å; L517-R527 HydrophobicContact CD1-CG 3.8Å; L517-R527 HydrophobicContact CD2-CG 3.88Å; L517-F543 HydrophobicContact CB-CE2 3.59Å; L517-F543 HydrophobicContact CB-CZ 3.88Å; L517-F543 HydrophobicContact CD2-CZ 4.33Å; L517-L544 PolarHBondContact N-O 2.89Å; L517-L545 HydrophobicContact CB-CD2 3.89Å; L517-L545 HydrophobicContact CD2-CD2 3.97Å; L517-L545 HydrophobicContact CG-CD2 4.22Å; L517-T546 PolarHBondContact O-N 3.5Å; L517-V549 HydrophobicContact CD2-CG1 3.96Å; L517-V549 HydrophobicContact CG-CG1 3.91Å
518	D	84.4	Confident	82.7	Confident	3 Å²	3	59.1 Å²	59.1	2%	0.016	33%	0.33	C	S	.	.			trans	-128.4	-168.7	177.9	68.4	27.7	0	0	0	111.6	R516 T520 T546	R516-D518 IonicContact CZ-OD2 2.72Å; R516-D518 VanDerWaalsContact CZ-OD2 3.25Å; R516-D518 IonicContact NE-OD2 2.69Å; R516-D518 PolarHBondContact NE-OD2 3.35Å; R516-D518 IonicContact NH2-OD2 2.95Å; R516-D518 PolarHBondContact NH2-OD2 2.92Å; D518-T520 PolarHBondContact O-N 3.03Å; D518-T520 VanDerWaalsContact OD1-CB 3.3Å; D518-T520 WeakPolarHBondContact OD1-CB 3.39Å; D518-T520 WeakPolarHBondContact OD1-CG2 3.41Å; D518-T520 PolarHBondContact OD1-N 3.18Å; D518-T520 PolarHBondContact OD1-OG1 2.76Å; D518-T546 HydrophobicContact CB-CG2 3.68Å
519	G	76.3	Confident	82.7	Confident	37 Å²	37	64.8 Å²	64.8	38%	0.381	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-7.6	-178.7	0	0	0	0	0	115.9
520	T	78.1	Confident	82.9	Confident	88 Å²	88	61.2 Å²	61.2	54%	0.54	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-28.4	177.6	63.8	0	0	0	0	112.5	D518 T522	D518-T520 PolarHBondContact O-N 3.03Å; D518-T520 VanDerWaalsContact OD1-CB 3.3Å; D518-T520 WeakPolarHBondContact OD1-CB 3.39Å; D518-T520 WeakPolarHBondContact OD1-CG2 3.41Å; D518-T520 PolarHBondContact OD1-N 3.18Å; D518-T520 PolarHBondContact OD1-OG1 2.76Å; T520-T522 PolarHBondContact O-N 2.83Å
521	I	76.8	Confident	83	Confident	23 Å²	23	57.7 Å²	57.7	12%	0.118	31%	0.312	C	S	.	.			trans	-80.1	86.8	-178.9	-56.6	-175.9	0	0	0	109.4	L517 E526 R527 L530	L517-I521 HydrophobicContact CD1-CB 4.19Å; L517-I521 HydrophobicContact CD1-CD1 4.07Å; L517-I521 HydrophobicContact CD1-CG2 4.43Å; I521-E526 HydrophobicContact CG2-CB 4.08Å; I521-E526 HydrophobicContact CG2-CG 3.98Å; I521-R527 HydrophobicContact CG2-CB 4.38Å; I521-R527 PolarHBondContact O-NH2 2.98Å; I521-L530 HydrophobicContact CD1-CD1 3.46Å; I521-L530 VanDerWaalsContact CD1-CD1 3.46Å
522	T	67.3	Low	83.3	Confident	121 Å²	121	58.1 Å²	58.1	74%	0.742	31%	0.306	S	S	*	.			trans	-74.5	-26.7	178.1	54.7	0	0	0	0	113	T520 I524	T520-T522 PolarHBondContact O-N 2.83Å; T522-I524 PolarHBondContact O-N 3.14Å
523	Q	75.9	Confident	83.5	Confident	115 Å²	115	63.5 Å²	63.5	54%	0.537	33%	0.326	S	S	.	.			trans	-78.8	119.3	-179.8	-62.6	-165.2	40.8	0	0	111.8	T525 E526 R527	Q523-T525 VanDerWaalsContact C-N 3.3Å; Q523-T525 PolarHBondContact O-N 2.97Å; Q523-E526 HydrophobicContact CB-CB 4.03Å; Q523-E526 PolarHBondContact O-N 3.29Å; Q523-R527 PolarHBondContact O-N 3.45Å
524	I	75.1	Confident	83.7	Confident	66 Å²	66	58 Å²	58	34%	0.338	30%	0.302	S	S	.	.	H	α-helix	trans	-64.6	-36.5	179.3	-56.7	174	0	0	0	111	T170 T522 R527 E528	T170-I524 HydrophobicContact CG2-CG2 3.88Å; T522-I524 PolarHBondContact O-N 3.14Å; I524-R527 WeakPolarHBondContact O-CB 3.3Å; I524-R527 PolarHBondContact O-N 3.21Å; I524-E528 HydrophobicContact CG2-CG 4.46Å; I524-E528 WeakPolarHBondContact O-CG 3.4Å; I524-E528 PolarHBondContact O-N 3.28Å
525	T	80.1	Confident	83.7	Confident	83 Å²	83	60.1 Å²	60.1	51%	0.509	31%	0.311	S	S	.	.	H	α-helix	trans	-63.8	-40.1	178.2	46.8	0	0	0	0	113	Q523 K529	Q523-T525 VanDerWaalsContact C-N 3.3Å; Q523-T525 PolarHBondContact O-N 2.97Å; T525-K529 WeakPolarHBondContact O-CG 3.4Å; T525-K529 PolarHBondContact O-N 3.03Å
526	E	83.4	Confident	83.6	Confident	89 Å²	89	64.6 Å²	64.6	42%	0.416	34%	0.339	S	S	.	.	H	α-helix	trans	-67.7	-43.9	175.1	-177.3	174.1	-160.2	0	0	111.4	I521 Q523 E528 K529 L530	I521-E526 HydrophobicContact CG2-CB 4.08Å; I521-E526 HydrophobicContact CG2-CG 3.98Å; Q523-E526 HydrophobicContact CB-CB 4.03Å; Q523-E526 PolarHBondContact O-N 3.29Å; E526-E528 VanDerWaalsContact C-N 3.35Å; E526-E528 PolarHBondContact O-N 3Å; E526-K529 WeakPolarHBondContact O-CB 3.42Å; E526-K529 PolarHBondContact O-N 3.48Å; E526-L530 HydrophobicContact CG-CD1 4.44Å; E526-L530 WeakPolarHBondContact O-CG 3.48Å; E526-L530 PolarHBondContact O-N 3.04Å
527	R	82.5	Confident	83.5	Confident	42 Å²	42	63.8 Å²	63.8	16%	0.158	34%	0.338	C	S	.	.	H	α-helix	trans	-56.5	-46.2	173.4	-179.5	176.6	-54.3	-154.2	1.5	112.2	L517 I521 Q523 I524 L530 I531	L517-R527 HydrophobicContact CD1-CB 4.25Å; L517-R527 HydrophobicContact CD1-CG 3.8Å; L517-R527 HydrophobicContact CD2-CG 3.88Å; I521-R527 HydrophobicContact CG2-CB 4.38Å; I521-R527 PolarHBondContact O-NH2 2.98Å; Q523-R527 PolarHBondContact O-N 3.45Å; I524-R527 WeakPolarHBondContact O-CB 3.3Å; I524-R527 PolarHBondContact O-N 3.21Å; R527-L530 PolarHBondContact O-N 2.82Å; R527-I531 HydrophobicContact CG-CD1 3.99Å; R527-I531 WeakPolarHBondContact O-CD1 3.3Å; R527-I531 VanDerWaalsContact O-CG1 3.28Å; R527-I531 WeakPolarHBondContact O-CG1 3.15Å; R527-I531 PolarHBondContact O-N 2.77Å; R527-I531 VanDerWaalsContact O-N 3.13Å
528	E	82.8	Confident	83.3	Confident	58 Å²	58	72.2 Å²	72.2	27%	0.271	38%	0.375	S	S	.	.	H	α-helix	trans	-62.9	-43.4	175.9	-72.6	-174.8	170.2	0	0	111.7	T170 K174 I524 E526 L530 I531 S532	T170-E528 PolarHBondContact OG1-OE1 3.01Å; K174-E528 IonicContact NZ-OE1 3.68Å; K174-E528 PolarHBondContact NZ-OE1 3.48Å; K174-E528 IonicContact NZ-OE2 3.34Å; K174-E528 PolarHBondContact NZ-OE2 3.33Å; I524-E528 HydrophobicContact CG2-CG 4.46Å; I524-E528 WeakPolarHBondContact O-CG 3.4Å; I524-E528 PolarHBondContact O-N 3.28Å; E526-E528 VanDerWaalsContact C-N 3.35Å; E526-E528 PolarHBondContact O-N 3Å; E528-L530 PolarHBondContact O-N 2.98Å; E528-I531 PolarHBondContact O-N 2.95Å; E528-S532 PolarHBondContact O-N 3.35Å; E528-S532 PolarHBondContact O-OG 2.77Å
529	K	87.4	Confident	83.5	Confident	157 Å²	157	79.9 Å²	79.9	68%	0.683	40%	0.404	S	S	*	.	H	α-helix	trans	-57.8	-43.7	175	-74.9	172.8	179.9	-177.4	0	112.7	T525 E526 R533	T525-K529 WeakPolarHBondContact O-CG 3.4Å; T525-K529 PolarHBondContact O-N 3.03Å; E526-K529 WeakPolarHBondContact O-CB 3.42Å; E526-K529 PolarHBondContact O-N 3.48Å; K529-R533 VanDerWaalsContact O-CB 3.3Å; K529-R533 WeakPolarHBondContact O-CB 3.46Å; K529-R533 PolarHBondContact O-N 3.18Å
530	L	88	Confident	84	Confident	32 Å²	32	79.6 Å²	79.6	17%	0.168	39%	0.391	C	S	.	.	H	α-helix	trans	-64.4	-41.6	178	-71.2	169.5	0	0	0	112.3	L515 I521 E526 R527 E528 R533 F534	L515-L530 HydrophobicContact CD2-CD2 4.15Å; I521-L530 HydrophobicContact CD1-CD1 3.46Å; I521-L530 VanDerWaalsContact CD1-CD1 3.46Å; E526-L530 HydrophobicContact CG-CD1 4.44Å; E526-L530 WeakPolarHBondContact O-CG 3.48Å; E526-L530 PolarHBondContact O-N 3.04Å; R527-L530 PolarHBondContact O-N 2.82Å; E528-L530 PolarHBondContact O-N 2.98Å; L530-R533 PolarHBondContact O-N 3.19Å; L530-F534 PolarHBondContact O-N 2.99Å
531	I	87.9	Confident	84.5	Confident	21 Å²	21	76.4 Å²	76.4	11%	0.108	37%	0.372	C	S	.	.	H	α-helix	trans	-64.1	-49	177.2	-67.2	161.6	0	0	0	110.6	R527 E528 R533 F534 Q535 I554 L556	R527-I531 HydrophobicContact CG-CD1 3.99Å; R527-I531 WeakPolarHBondContact O-CD1 3.3Å; R527-I531 VanDerWaalsContact O-CG1 3.28Å; R527-I531 WeakPolarHBondContact O-CG1 3.15Å; R527-I531 PolarHBondContact O-N 2.77Å; R527-I531 VanDerWaalsContact O-N 3.13Å; E528-I531 PolarHBondContact O-N 2.95Å; I531-R533 VanDerWaalsContact C-N 3.3Å; I531-R533 PolarHBondContact O-N 3.35Å; I531-F534 PolarHBondContact O-N 2.9Å; I531-Q535 WeakPolarHBondContact O-CG 3.45Å; I531-Q535 PolarHBondContact O-N 3.37Å; I531-I554 HydrophobicContact CD1-CB 4.38Å; I531-I554 HydrophobicContact CD1-CG2 3.54Å; I531-L556 HydrophobicContact CG2-CD2 4.1Å
532	S	88	Confident	85.3	Confident	69 Å²	69	75.4 Å²	75.4	48%	0.483	37%	0.367	S	S	.	.	H	α-helix	trans	-60.4	-39.2	177	-66.1	0	0	0	0	112.2	E528 Q535 T536	E528-S532 PolarHBondContact O-N 3.35Å; E528-S532 PolarHBondContact O-OG 2.77Å; S532-Q535 PolarHBondContact O-N 2.99Å; S532-T536 WeakPolarHBondContact O-CB 3.49Å; S532-T536 WeakPolarHBondContact O-CG2 3.5Å; S532-T536 PolarHBondContact O-N 3.09Å; S532-T536 PolarHBondContact O-OG1 3.46Å
533	R	91.1	Very high	86.5	Confident	124 Å²	124	69.6 Å²	69.6	47%	0.468	33%	0.332	S	S	.	.	H	α-helix	trans	-63	-43.2	175.9	-171.4	176.7	-172.6	152.9	4.5	112.3	L515 K529 L530 I531 T536 D537 Y540	L515-R533 HydrophobicContact CD1-CG 4.43Å; K529-R533 VanDerWaalsContact O-CB 3.3Å; K529-R533 WeakPolarHBondContact O-CB 3.46Å; K529-R533 PolarHBondContact O-N 3.18Å; L530-R533 PolarHBondContact O-N 3.19Å; I531-R533 VanDerWaalsContact C-N 3.3Å; I531-R533 PolarHBondContact O-N 3.35Å; R533-T536 PolarHBondContact O-OG1 2.95Å; R533-D537 WeakPolarHBondContact O-CB 3.41Å; R533-D537 PolarHBondContact O-N 3.42Å; R533-Y540 HydrophobicContact CG-CD2 4.46Å; R533-Y540 HydrophobicContact CG-CE2 4Å; R533-Y540 VanDerWaalsContact CZ-OH 3.28Å; R533-Y540 PolarHBondContact NE-OH 3.26Å; R533-Y540 VanDerWaalsContact NE-OH 3.11Å; R533-Y540 PolarHBondContact NH2-OH 3.32Å
534	F	91.4	Very high	87.3	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-65.9	-38.1	176.3	-177.3	-107.8	0	0	0	113	R489 L491 L515 L530 I531 F543 L556 A558 A559	R489-F534 HydrophobicContact CB-CZ 4.19Å; R489-F534 PolarHBondContact NH1-O 2.86Å; R489-F534 VanDerWaalsContact NH1-O 3.13Å; L491-F534 HydrophobicContact CD2-CE1 3.79Å; L491-F534 HydrophobicContact CD2-CZ 3.92Å; L515-F534 HydrophobicContact CD1-CB 3.78Å; L515-F534 HydrophobicContact CD1-CD2 4.29Å; L530-F534 PolarHBondContact O-N 2.99Å; I531-F534 PolarHBondContact O-N 2.9Å; F534-F543 HydrophobicContact CB-CD1 3.91Å; F534-F543 HydrophobicContact CB-CE1 3.95Å; F534-F543 AromaticContact CD1-CD1 3.67Å; F534-F543 HydrophobicContact CD1-CD1 3.67Å; F534-F543 HydrophobicContact CD1-CE1 4.28Å; F534-F543 HydrophobicContact CD2-CB 3.98Å; F534-F543 AromaticContact CD2-CD1 3.95Å; F534-F543 HydrophobicContact CD2-CD1 3.95Å; F534-F543 HydrophobicContact CD2-CG 4.24Å; F534-F543 HydrophobicContact CE1-CB 4.5Å; F534-F543 HydrophobicContact CE1-CD1 4.15Å; F534-F543 HydrophobicContact CE2-CB 3.8Å; F534-F543 HydrophobicContact CE2-CD1 4.41Å; F534-F543 HydrophobicContact CG-CB 4.41Å; F534-F543 AromaticContact CG-CD1 3.54Å; F534-F543 HydrophobicContact CG-CD1 3.54Å; F534-F543 HydrophobicContact CG-CE1 4.09Å; F534-F543 HydrophobicContact CG-CG 4.28Å; F534-F543 HydrophobicContact CZ-CB 4.06Å; F534-F543 HydrophobicContact CZ-CD1 4.49Å; F534-L556 HydrophobicContact CD1-CD2 4.11Å; F534-A558 HydrophobicContact CD1-CB 4.28Å; F534-A558 HydrophobicContact CE1-CB 4.18Å; F534-A559 HydrophobicContact CE1-CB 3.97Å; F534-A559 HydrophobicContact CZ-CB 4.08Å
535	Q	89.3	Confident	88.1	Confident	74 Å²	74	61 Å²	61	35%	0.346	29%	0.29	S	S	.	.	H	α-helix	trans	-67.2	-47	179	-69.3	-175.3	19.7	0	0	111.9	R489 I531 S532 T555 A558	R489-Q535 PolarHBondContact NH1-O 2.92Å; R489-Q535 VanDerWaalsContact NH1-O 3.08Å; I531-Q535 WeakPolarHBondContact O-CG 3.45Å; I531-Q535 PolarHBondContact O-N 3.37Å; S532-Q535 PolarHBondContact O-N 2.99Å; Q535-T555 PolarHBondContact NE2-O 3.41Å; Q535-A558 HydrophobicContact CB-CB 4.19Å; Q535-A558 HydrophobicContact CG-CB 4.02Å
536	T	89.9	Confident	88.6	Confident	110 Å²	110	57.3 Å²	57.3	68%	0.675	27%	0.268	S	S	*	.	H	α-helix	trans	-79.6	-49.6	-174.2	52.2	0	0	0	0	113.8	S532 R533 K538	S532-T536 WeakPolarHBondContact O-CB 3.49Å; S532-T536 WeakPolarHBondContact O-CG2 3.5Å; S532-T536 PolarHBondContact O-N 3.09Å; S532-T536 PolarHBondContact O-OG1 3.46Å; R533-T536 PolarHBondContact O-OG1 2.95Å; T536-K538 PolarHBondContact O-N 3.03Å
537	D	89.8	Confident	88.7	Confident	27 Å²	27	53.3 Å²	53.3	14%	0.144	25%	0.249	C	C	.	.			trans	-88	99.3	-171.7	-172.7	-5.6	0	0	0	111.7	R533 R539 Y540	R533-D537 WeakPolarHBondContact O-CB 3.41Å; R533-D537 PolarHBondContact O-N 3.42Å; D537-R539 PolarHBondContact O-N 3.34Å; D537-R539 WeakPolarHBondContact OD1-CB 3.36Å; D537-R539 WeakPolarHBondContact OD1-CG 3.35Å; D537-R539 IonicContact OD1-CZ 2.76Å; D537-R539 PolarHBondContact OD1-N 3.28Å; D537-R539 IonicContact OD1-NE 3.44Å; D537-R539 PolarHBondContact OD1-NE 2.76Å; D537-R539 IonicContact OD1-NH2 2.85Å; D537-R539 IonicContact OD2-CZ 2.65Å; D537-R539 VanDerWaalsContact OD2-CZ 3.29Å; D537-R539 IonicContact OD2-NE 2.63Å; D537-R539 PolarHBondContact OD2-NE 2.9Å; D537-R539 IonicContact OD2-NH2 2.66Å; D537-R539 PolarHBondContact OD2-NH2 2.91Å; D537-Y540 HydrophobicContact CB-CD2 3.9Å; D537-Y540 HydrophobicContact CB-CE2 4.11Å; D537-Y540 PolarHBondContact O-N 3Å; D537-Y540 WeakPolarHBondContact OD2-CE2 3.48Å
538	K	84.6	Confident	88.4	Confident	177 Å²	177	56.7 Å²	56.7	77%	0.77	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-10.2	177.1	-63.3	-174.1	-179.5	-176.7	0	114.4	T536 Y540	T536-K538 PolarHBondContact O-N 3.03Å; K538-Y540 PolarHBondContact O-N 3.2Å
539	R	87.3	Confident	88	Confident	165 Å²	165	54.5 Å²	54.5	62%	0.623	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-12.3	177.1	-58.7	174.4	-63	-170.2	1.4	113.1	K513 D537	K513-R539 VanDerWaalsContact CB-O 3.26Å; K513-R539 WeakPolarHBondContact CB-O 3.49Å; K513-R539 HydrophobicContact CD-CB 4.23Å; D537-R539 PolarHBondContact O-N 3.34Å; D537-R539 WeakPolarHBondContact OD1-CB 3.36Å; D537-R539 WeakPolarHBondContact OD1-CG 3.35Å; D537-R539 IonicContact OD1-CZ 2.76Å; D537-R539 PolarHBondContact OD1-N 3.28Å; D537-R539 IonicContact OD1-NE 3.44Å; D537-R539 PolarHBondContact OD1-NE 2.76Å; D537-R539 IonicContact OD1-NH2 2.85Å; D537-R539 IonicContact OD2-CZ 2.65Å; D537-R539 VanDerWaalsContact OD2-CZ 3.29Å; D537-R539 IonicContact OD2-NE 2.63Å; D537-R539 PolarHBondContact OD2-NE 2.9Å; D537-R539 IonicContact OD2-NH2 2.66Å; D537-R539 PolarHBondContact OD2-NH2 2.91Å
540	Y	88.4	Confident	86.8	Confident	30 Å²	30	47 Å²	47	12%	0.118	23%	0.225	C	C	.	.			trans	-93.6	111.4	174.7	-67.2	-80.3	0	0	0	111.1	R489 K513 L515 R533 D537 K538	R489-Y540 WeakPolarHBondContact CD-O 3.41Å; K513-Y540 HydrophobicContact CB-CD1 4.03Å; K513-Y540 HydrophobicContact CB-CE1 4.24Å; K513-Y540 WeakPolarHBondContact O-CA 3.43Å; L515-Y540 HydrophobicContact CD1-CD1 4.05Å; L515-Y540 HydrophobicContact CD1-CD2 4.28Å; L515-Y540 HydrophobicContact CD1-CE1 4.46Å; L515-Y540 HydrophobicContact CD1-CG 3.95Å; L515-Y540 HydrophobicContact CD2-CD1 3.96Å; L515-Y540 HydrophobicContact CD2-CE1 3.68Å; L515-Y540 HydrophobicContact CG-CD1 3.55Å; L515-Y540 HydrophobicContact CG-CE1 3.84Å; L515-Y540 HydrophobicContact CG-CG 3.98Å; R533-Y540 HydrophobicContact CG-CD2 4.46Å; R533-Y540 HydrophobicContact CG-CE2 4Å; R533-Y540 VanDerWaalsContact CZ-OH 3.28Å; R533-Y540 PolarHBondContact NE-OH 3.26Å; R533-Y540 VanDerWaalsContact NE-OH 3.11Å; R533-Y540 PolarHBondContact NH2-OH 3.32Å; D537-Y540 HydrophobicContact CB-CD2 3.9Å; D537-Y540 HydrophobicContact CB-CE2 4.11Å; D537-Y540 PolarHBondContact O-N 3Å; D537-Y540 WeakPolarHBondContact OD2-CE2 3.48Å; K538-Y540 PolarHBondContact O-N 3.2Å
541	S	87.7	Confident	85.6	Confident	21 Å²	21	46.4 Å²	46.4	15%	0.147	23%	0.227	C	C	.	.			trans	-91.6	-25	-178.3	56.8	0	0	0	0	113.9	R489 T490 K513	R489-S541 WeakPolarHBondContact CA-O 3.45Å; T490-S541 PolarHBondContact N-O 2.93Å; K513-S541 PolarHBondContact O-N 3.22Å
542	V	92.8	Very high	84.5	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	134.8	-175.5	-177.5	0	0	0	0	111.2	L480 T490 V492 L507 F512 L514 L515 L544	L480-V542 HydrophobicContact CD2-CG2 4.1Å; T490-V542 WeakPolarHBondContact O-CA 3.5Å; V492-V542 HydrophobicContact CG2-CG1 4.09Å; L507-V542 HydrophobicContact CD1-CG1 4.36Å; F512-V542 HydrophobicContact CD1-CG2 3.92Å; F512-V542 HydrophobicContact CE1-CG2 4.33Å; L514-V542 VanDerWaalsContact CA-O 3.3Å; L514-V542 WeakPolarHBondContact CA-O 3.45Å; L514-V542 HydrophobicContact CB-CB 4.42Å; L515-V542 PolarHBondContact N-O 3.44Å; V542-L544 HydrophobicContact CG1-CD2 3.85Å; V542-L544 HydrophobicContact CG1-CG 4.44Å
543	F	93.8	Very high	83.5	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	113.4	169.9	-160.1	172.8	0	0	0	109.5	T490 L491 V492 L515 L517 F534 L545 L556	T490-F543 PolarHBondContact O-N 2.86Å; L491-F543 HydrophobicContact CD2-CB 3.81Å; L491-F543 HydrophobicContact CD2-CD1 4.25Å; L491-F543 HydrophobicContact CD2-CG 4.45Å; V492-F543 PolarHBondContact N-O 3.29Å; L515-F543 HydrophobicContact CB-CD2 3.76Å; L515-F543 HydrophobicContact CB-CE2 3.92Å; L515-F543 HydrophobicContact CB-CG 4.33Å; L515-F543 WeakPolarHBondContact O-CA 3.28Å; L517-F543 HydrophobicContact CB-CE2 3.59Å; L517-F543 HydrophobicContact CB-CZ 3.88Å; L517-F543 HydrophobicContact CD2-CZ 4.33Å; F534-F543 HydrophobicContact CB-CD1 3.91Å; F534-F543 HydrophobicContact CB-CE1 3.95Å; F534-F543 AromaticContact CD1-CD1 3.67Å; F534-F543 HydrophobicContact CD1-CD1 3.67Å; F534-F543 HydrophobicContact CD1-CE1 4.28Å; F534-F543 HydrophobicContact CD2-CB 3.98Å; F534-F543 AromaticContact CD2-CD1 3.95Å; F534-F543 HydrophobicContact CD2-CD1 3.95Å; F534-F543 HydrophobicContact CD2-CG 4.24Å; F534-F543 HydrophobicContact CE1-CB 4.5Å; F534-F543 HydrophobicContact CE1-CD1 4.15Å; F534-F543 HydrophobicContact CE2-CB 3.8Å; F534-F543 HydrophobicContact CE2-CD1 4.41Å; F534-F543 HydrophobicContact CG-CB 4.41Å; F534-F543 AromaticContact CG-CD1 3.54Å; F534-F543 HydrophobicContact CG-CD1 3.54Å; F534-F543 HydrophobicContact CG-CE1 4.09Å; F534-F543 HydrophobicContact CG-CG 4.28Å; F534-F543 HydrophobicContact CZ-CB 4.06Å; F534-F543 HydrophobicContact CZ-CD1 4.49Å; F543-L545 HydrophobicContact CD1-CD1 4.36Å; F543-L545 HydrophobicContact CD2-CG 4.24Å; F543-L545 HydrophobicContact CE2-CD2 4.36Å; F543-L545 HydrophobicContact CG-CD1 4.24Å; F543-L545 HydrophobicContact CG-CG 4.39Å; F543-L545 HydrophobicContact CZ-CD2 4.44Å; F543-L556 HydrophobicContact CD1-CD1 4.31Å; F543-L556 HydrophobicContact CD1-CD2 4.07Å; F543-L556 HydrophobicContact CE1-CD1 4.38Å; F543-L556 HydrophobicContact CE1-CD2 3.77Å
544	L	93.1	Very high	83	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	124.8	176	-58	-176.4	0	0	0	109.9	V492 L500 L503 Q504 L507 L514 L515 R516 L517 V542	V492-L544 HydrophobicContact CB-CD2 3.97Å; V492-L544 HydrophobicContact CG1-CD2 4.49Å; V492-L544 HydrophobicContact CG2-CD2 4.33Å; L500-L544 HydrophobicContact CD2-CB 4.28Å; L503-L544 HydrophobicContact CB-CD1 4.27Å; L503-L544 HydrophobicContact CB-CD2 4.45Å; L503-L544 HydrophobicContact CD1-CD2 4.47Å; Q504-L544 HydrophobicContact CB-CD1 3.99Å; L507-L544 HydrophobicContact CD1-CD2 4.44Å; L514-L544 HydrophobicContact CD1-CD1 4.33Å; L515-L544 PolarHBondContact O-N 3.21Å; R516-L544 CarbonylContact C-O 3.43Å; R516-L544 VanDerWaalsContact CA-O 3.31Å; R516-L544 WeakPolarHBondContact CA-O 3.47Å; R516-L544 HydrophobicContact CB-CB 4.32Å; R516-L544 HydrophobicContact CG-CB 4.42Å; L517-L544 PolarHBondContact N-O 2.89Å; V542-L544 HydrophobicContact CG1-CD2 3.85Å; V542-L544 HydrophobicContact CG1-CG 4.44Å
545	L	91.9	Very high	82.7	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	141.7	-174.1	-75.2	152.2	0	0	0	110	L491 V492 F493 A494 L517 F543 I554 L556	L491-L545 HydrophobicContact CB-CD1 4.28Å; L491-L545 HydrophobicContact CD1-CD1 4.31Å; L491-L545 HydrophobicContact CD2-CD1 4.06Å; L491-L545 HydrophobicContact CG-CD1 4.44Å; V492-L545 PolarHBondContact O-N 3.16Å; F493-L545 WeakPolarHBondContact CA-O 3.37Å; F493-L545 HydrophobicContact CD1-CB 3.58Å; F493-L545 HydrophobicContact CD1-CD1 4.42Å; F493-L545 HydrophobicContact CE1-CB 3.57Å; F493-L545 HydrophobicContact CE1-CD1 3.69Å; F493-L545 HydrophobicContact CE1-CG 4.16Å; F493-L545 HydrophobicContact CZ-CD1 3.87Å; A494-L545 PolarHBondContact N-O 3.41Å; L517-L545 HydrophobicContact CB-CD2 3.89Å; L517-L545 HydrophobicContact CD2-CD2 3.97Å; L517-L545 HydrophobicContact CG-CD2 4.22Å; F543-L545 HydrophobicContact CD1-CD1 4.36Å; F543-L545 HydrophobicContact CD2-CG 4.24Å; F543-L545 HydrophobicContact CE2-CD2 4.36Å; F543-L545 HydrophobicContact CG-CD1 4.24Å; F543-L545 HydrophobicContact CG-CG 4.39Å; F543-L545 HydrophobicContact CZ-CD2 4.44Å; L545-I554 HydrophobicContact CD2-CD1 4.16Å; L545-L556 HydrophobicContact CD1-CD1 3.64Å
546	T	90.5	Very high	82.6	Confident	6 Å²	6	38.5 Å²	38.5	4%	0.037	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	142.3	165.2	60.3	0	0	0	0	110.8	A494 R497 L500 L517 D518 Q548 V549 G550	A494-T546 CarbonylContact O-C 3.59Å; A494-T546 WeakPolarHBondContact O-CA 3.45Å; R497-T546 HydrophobicContact CG-CG2 4.3Å; L500-T546 HydrophobicContact CD1-CG2 3.64Å; L517-T546 PolarHBondContact O-N 3.5Å; D518-T546 HydrophobicContact CB-CG2 3.68Å; T546-Q548 PolarHBondContact O-N 3.18Å; T546-V549 CarbonylContact O-C 3.58Å; T546-V549 PolarHBondContact O-N 3.02Å; T546-V549 VanDerWaalsContact OG1-CG2 3.31Å; T546-V549 WeakPolarHBondContact OG1-CG2 3.41Å; T546-G550 PolarHBondContact O-N 2.94Å
547	T	84.5	Confident	82.5	Confident	4 Å²	4	34.3 Å²	34.3	3%	0.025	17%	0.172	C	C	.	.	H	α-helix	trans	-56.3	-39.2	-179	-49.7	0	0	0	0	112.1	A494 H495 V549 G550 G551	A494-T547 PolarHBondContact O-N 3.03Å; A494-T547 PolarHBondContact O-OG1 3.24Å; H495-T547 PolarHBondContact CE1-OG1 2.94Å; H495-T547 PolarHBondContact ND1-OG1 3.23Å; T547-V549 PolarHBondContact O-N 3.09Å; T547-G550 CarbonylContact O-C 3.56Å; T547-G550 WeakPolarHBondContact O-CA 3.31Å; T547-G550 PolarHBondContact O-N 3.15Å; T547-G550 VanDerWaalsContact O-N 3.13Å; T547-G551 PolarHBondContact O-N 3.24Å
548	Q	77.2	Confident	82.5	Confident	113 Å²	113	33.9 Å²	33.9	53%	0.528	17%	0.173	S	C	.	.	H	α-helix	trans	-59.9	-39.5	173.7	-68.8	-179.4	-15.2	0	0	113.1	T546 G551 E879	T546-Q548 PolarHBondContact O-N 3.18Å; Q548-G551 PolarHBondContact O-N 3.4Å; Q548-E879 PolarHBondContact NE2-OE2 2.7Å; Q548-E879 VanDerWaalsContact NE2-OE2 3.08Å
549	V	74.6	Confident	82.8	Confident	12 Å²	12	25.5 Å²	25.5	7%	0.073	14%	0.136	C	C	.	.	H	α-helix	trans	-78.4	-26.1	175.1	179.6	0	0	0	0	111.5	L517 T546 T547 G551 V552	L517-V549 HydrophobicContact CD2-CG1 3.96Å; L517-V549 HydrophobicContact CG-CG1 3.91Å; T546-V549 CarbonylContact O-C 3.58Å; T546-V549 PolarHBondContact O-N 3.02Å; T546-V549 VanDerWaalsContact OG1-CG2 3.31Å; T546-V549 WeakPolarHBondContact OG1-CG2 3.41Å; T547-V549 PolarHBondContact O-N 3.09Å; V549-G551 VanDerWaalsContact C-N 3.28Å; V549-G551 PolarHBondContact O-N 3.38Å; V549-V552 WeakPolarHBondContact O-CB 3.37Å; V549-V552 PolarHBondContact O-N 2.97Å
550	G	61.9	Low	83.1	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60	-34.2	163.7	0	0	0	0	0	113.2	T546 T547 V552 R580	T546-G550 PolarHBondContact O-N 2.94Å; T547-G550 CarbonylContact O-C 3.56Å; T547-G550 WeakPolarHBondContact O-CA 3.31Å; T547-G550 PolarHBondContact O-N 3.15Å; T547-G550 VanDerWaalsContact O-N 3.13Å; G550-V552 PolarHBondContact O-N 3.31Å; G550-R580 WeakPolarHBondContact O-CD 3.42Å; G550-R580 WeakPolarHBondContact O-CG 3.42Å; G550-R580 PolarHBondContact O-NE 3.5Å
551	G	62.6	Low	83.3	Confident	20 Å²	20	17.8 Å²	17.8	21%	0.206	11%	0.107	C	C	.	.	H	α-helix	trans	-63.2	-25.4	170	0	0	0	0	0	113.7	T547 Q548 V549 G553 R580	T547-G551 PolarHBondContact O-N 3.24Å; Q548-G551 PolarHBondContact O-N 3.4Å; V549-G551 VanDerWaalsContact C-N 3.28Å; V549-G551 PolarHBondContact O-N 3.38Å; G551-G553 PolarHBondContact O-N 3.4Å; G551-R580 PolarHBondContact O-NH2 3.01Å
552	V	63.8	Low	83.6	Confident	40 Å²	40	16.8 Å²	16.8	24%	0.242	10%	0.1	C	C	.	.	S	Bend	trans	-84.1	79.5	-175.1	169.6	0	0	0	0	112.1	S167 V549 G550 I554	S167-V552 WeakPolarHBondContact OG-CG1 3.38Å; V549-V552 WeakPolarHBondContact O-CB 3.37Å; V549-V552 PolarHBondContact O-N 2.97Å; G550-V552 PolarHBondContact O-N 3.31Å; V552-I554 WeakPolarHBondContact O-CG2 3.49Å; V552-I554 PolarHBondContact O-N 2.86Å
553	G	66.9	Low	83.7	Confident	19 Å²	19	16.7 Å²	16.7	20%	0.196	10%	0.1	C	C	.	.			trans	66.5	-23.5	149.7	0	0	0	0	0	121	G551 R580 R583	G551-G553 PolarHBondContact O-N 3.4Å; G553-R580 PolarHBondContact O-NH1 3.28Å; G553-R583 PolarHBondContact O-NH1 2.87Å
554	I	80.4	Confident	83.6	Confident	19 Å²	19	16.8 Å²	16.8	10%	0.097	10%	0.1	C	C	.	.			trans	-64.7	165.6	-162.1	54	-176.9	0	0	0	115.6	I531 L545 V552 L556 R580 R583	I531-I554 HydrophobicContact CD1-CB 4.38Å; I531-I554 HydrophobicContact CD1-CG2 3.54Å; L545-I554 HydrophobicContact CD2-CD1 4.16Å; V552-I554 WeakPolarHBondContact O-CG2 3.49Å; V552-I554 PolarHBondContact O-N 2.86Å; I554-L556 HydrophobicContact CD1-CD1 3.72Å; I554-L556 HydrophobicContact CD1-CG 4.26Å; I554-L556 HydrophobicContact CG1-CD1 4.32Å; I554-L556 HydrophobicContact CG1-CG 4.46Å; I554-R580 HydrophobicContact CG1-CB 4.25Å; I554-R580 HydrophobicContact CG1-CG 3.9Å; I554-R580 WeakPolarHBondContact O-CD 3.35Å; I554-R583 PolarHBondContact O-NH1 2.9Å
555	T	85.3	Confident	83.6	Confident	43 Å²	43	16.8 Å²	16.8	26%	0.264	10%	0.1	S	C	.	.			trans	-122.5	121.7	174.7	-59	0	0	0	0	108.5	Q535 T557 R583	Q535-T555 PolarHBondContact NE2-O 3.41Å; T555-T557 HydrophobicContact CG2-CG2 3.99Å; T555-R583 PolarHBondContact OG1-NE 3.48Å; T555-R583 PolarHBondContact OG1-NH1 3.16Å
556	L	87.8	Confident	83.5	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.1	C	C	.	.			trans	-135.9	39.5	-176.1	-64.6	176.1	0	0	0	110.8	L491 I531 F534 F543 L545 I554 A558 A559 R580	L491-L556 HydrophobicContact CD1-CB 3.96Å; L491-L556 HydrophobicContact CD1-CD1 3.74Å; L491-L556 HydrophobicContact CD2-CB 4.41Å; L491-L556 HydrophobicContact CD2-CD1 3.96Å; I531-L556 HydrophobicContact CG2-CD2 4.1Å; F534-L556 HydrophobicContact CD1-CD2 4.11Å; F543-L556 HydrophobicContact CD1-CD1 4.31Å; F543-L556 HydrophobicContact CD1-CD2 4.07Å; F543-L556 HydrophobicContact CE1-CD1 4.38Å; F543-L556 HydrophobicContact CE1-CD2 3.77Å; L545-L556 HydrophobicContact CD1-CD1 3.64Å; I554-L556 HydrophobicContact CD1-CD1 3.72Å; I554-L556 HydrophobicContact CD1-CG 4.26Å; I554-L556 HydrophobicContact CG1-CD1 4.32Å; I554-L556 HydrophobicContact CG1-CG 4.46Å; L556-A558 PolarHBondContact O-N 3Å; L556-A559 PolarHBondContact O-N 3.22Å; L556-R580 CarbonylContact C-O 3.6Å; L556-R580 WeakPolarHBondContact CA-O 3.46Å; L556-R580 PolarHBondContact N-O 3.03Å
557	T	88.4	Confident	83.2	Confident	23 Å²	23	16.7 Å²	16.7	14%	0.141	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-15	177.4	47.8	0	0	0	0	114.3	T555 A559 R583 Q586	T555-T557 HydrophobicContact CG2-CG2 3.99Å; T557-A559 VanDerWaalsContact C-N 3.27Å; T557-A559 PolarHBondContact O-N 2.96Å; T557-R583 HydrophobicContact CG2-CB 3.94Å; T557-Q586 HydrophobicContact CG2-CB 4.26Å; T557-Q586 PolarHBondContact O-NE2 3.39Å; T557-Q586 PolarHBondContact O-OE1 3.41Å
558	A	89.4	Confident	83.2	Confident	18 Å²	18	16.9 Å²	16.9	15%	0.149	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-25.1	172.6	0	0	0	0	0	114.3	R489 F534 Q535 L556	R489-A558 PolarHBondContact NE-O 3.32Å; R489-A558 PolarHBondContact NH2-O 2.81Å; F534-A558 HydrophobicContact CD1-CB 4.28Å; F534-A558 HydrophobicContact CE1-CB 4.18Å; Q535-A558 HydrophobicContact CB-CB 4.19Å; Q535-A558 HydrophobicContact CG-CB 4.02Å; L556-A558 PolarHBondContact O-N 3Å
559	A	91.4	Very high	83.4	Confident	0 Å²	0	15 Å²	15	0%	0	9%	0.089	C	C	.	.			trans	-87.4	138.1	175	0	0	0	0	0	111.3	R489 L491 F534 L556 T557 Q586	R489-A559 WeakPolarHBondContact O-CA 3.36Å; R489-A559 WeakPolarHBondContact O-CB 3.48Å; L491-A559 HydrophobicContact CD1-CB 4.2Å; L491-A559 HydrophobicContact CD2-CB 3.64Å; L491-A559 HydrophobicContact CG-CB 3.55Å; F534-A559 HydrophobicContact CE1-CB 3.97Å; F534-A559 HydrophobicContact CZ-CB 4.08Å; L556-A559 PolarHBondContact O-N 3.22Å; T557-A559 VanDerWaalsContact C-N 3.27Å; T557-A559 PolarHBondContact O-N 2.96Å; A559-Q586 PolarHBondContact O-NE2 3.04Å
560	N	91.7	Very high	83.7	Confident	6 Å²	6	15.6 Å²	15.6	3%	0.032	9%	0.092	C	C	.	.	S	Bend	trans	-111.9	-3.2	177.2	68.2	-15.5	0	0	0	112.3	H488 R489 E588 V590 V591	H488-N560 WeakPolarHBondContact CB-OD1 3.3Å; H488-N560 PolarHBondContact ND1-ND2 3.1Å; H488-N560 VanDerWaalsContact ND1-ND2 3.17Å; R489-N560 PolarHBondContact N-OD1 3.26Å; R489-N560 PolarHBondContact O-N 3.19Å; R489-N560 PolarHBondContact O-OD1 3.31Å; R489-N560 VanDerWaalsContact O-OD1 3.13Å; N560-E588 HydrophobicContact CB-CB 3.95Å; N560-E588 WeakPolarHBondContact CB-OE2 3.42Å; N560-E588 PolarHBondContact ND2-OE2 2.92Å; N560-V590 WeakPolarHBondContact O-CA 3.42Å; N560-V591 PolarHBondContact O-N 3.45Å
561	R	93	Very high	84.6	Confident	27 Å²	27	16.3 Å²	16.3	10%	0.102	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	140.8	176.3	-60.8	-68	177.9	-92.5	2.8	110	L483 H488 R489 T490 L491 N589 V591 Y593	L483-R561 HydrophobicContact CD1-CB 4.08Å; L483-R561 HydrophobicContact CD1-CG 4.08Å; L483-R561 HydrophobicContact CD2-CG 3.9Å; H488-R561 HydrophobicContact CB-CG 3.9Å; H488-R561 VanDerWaalsContact CD2-CZ 3.43Å; H488-R561 PolarHBondContact CD2-NE 2.73Å; H488-R561 PolarHBondContact CD2-NH2 3.07Å; H488-R561 PolarHBondContact NE2-NH2 3.44Å; R489-R561 PolarHBondContact O-N 3.15Å; R489-R561 VanDerWaalsContact O-N 3.14Å; T490-R561 WeakPolarHBondContact CA-O 2.95Å; T490-R561 HydrophobicContact CG2-CB 4.04Å; L491-R561 PolarHBondContact N-O 2.83Å; R561-N589 PolarHBondContact NH1-O 3.02Å; R561-V591 WeakPolarHBondContact CA-O 3.48Å; R561-Y593 HydrophobicContact CB-CE2 4.4Å; R561-Y593 WeakPolarHBondContact CD-OH 3.43Å
562	V	93.9	Very high	85.4	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	127.5	177.1	179.3	0	0	0	0	109	L491 F493 A581 V590 V591 I592 Y593	L491-V562 HydrophobicContact CB-CG2 4.49Å; L491-V562 HydrophobicContact CD1-CG2 4.41Å; L491-V562 CarbonylContact O-C 3.5Å; F493-V562 HydrophobicContact CD2-CG1 3.76Å; F493-V562 HydrophobicContact CE2-CG1 3.72Å; V562-A581 HydrophobicContact CG2-CB 3.66Å; V562-V590 HydrophobicContact CG2-CG1 4.39Å; V562-V591 PolarHBondContact N-O 3.07Å; V562-I592 HydrophobicContact CB-CG1 4.19Å; V562-I592 HydrophobicContact CB-CG2 4.36Å; V562-I592 HydrophobicContact CG1-CG2 4.34Å; V562-I592 CarbonylContact O-C 3.59Å; V562-I592 VanDerWaalsContact O-CA 3.27Å; V562-I592 WeakPolarHBondContact O-CA 3.28Å; V562-Y593 WeakPolarHBondContact O-CD2 3.16Å; V562-Y593 PolarHBondContact O-N 3.34Å
563	V	94.5	Very high	86.3	Confident	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	128.8	169.6	-174.5	0	0	0	0	109	L476 L479 T490 L491 V492 F493 Y593 L595	L476-V563 HydrophobicContact CD1-CB 4.46Å; L476-V563 HydrophobicContact CD1-CG1 3.98Å; L476-V563 HydrophobicContact CD1-CG2 4.29Å; L479-V563 HydrophobicContact CD2-CG2 3.97Å; T490-V563 HydrophobicContact CG2-CG2 3.96Å; L491-V563 PolarHBondContact O-N 3.11Å; V492-V563 HydrophobicContact CG2-CB 4.45Å; F493-V563 PolarHBondContact N-O 2.91Å; V563-Y593 WeakPolarHBondContact CA-O 3.47Å; V563-Y593 HydrophobicContact CG2-CD2 3.96Å; V563-L595 HydrophobicContact CG1-CD1 4.28Å; V563-L595 HydrophobicContact CG1-CG 4.15Å
564	I	93.3	Very high	87.3	Confident	2 Å²	2	14.8 Å²	14.8	1%	0.01	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	109.3	164.8	-64.8	168.1	0	0	0	105.6	D574 V578 I592 Y593 R594 L595	I564-D574 HydrophobicContact CD1-CB 4.03Å; I564-V578 HydrophobicContact CD1-CG2 3.99Å; I564-I592 HydrophobicContact CD1-CG2 4.26Å; I564-Y593 PolarHBondContact N-O 3.43Å; I564-R594 HydrophobicContact CB-CG 4.42Å; I564-R594 HydrophobicContact CD1-CG 4.19Å; I564-L595 PolarHBondContact O-N 3.16Å
565	Y	92.9	Very high	87.3	Confident	1 Å²	1	15.9 Å²	15.9	0%	0.004	9%	0.092	C	C	.	.	S	Bend	trans	-73.4	-40.1	-177.3	-173.2	-100.9	0	0	0	111.7	D427 S470 K472 L476 F493 A494 V499 L595	D427-Y565 HydrophobicContact CB-CE1 3.85Å; D427-Y565 PolarHBondContact O-OH 3.35Å; D427-Y565 WeakPolarHBondContact OD1-CD1 3.39Å; D427-Y565 VanDerWaalsContact OD1-CE1 3.3Å; D427-Y565 WeakPolarHBondContact OD1-CE1 3.4Å; S470-Y565 PolarHBondContact OG-OH 3.29Å; K472-Y565 HydrophobicContact CB-CE2 3.68Å; K472-Y565 WeakPolarHBondContact CB-OH 3.5Å; K472-Y565 HydrophobicContact CD-CD1 4.43Å; K472-Y565 HydrophobicContact CD-CE1 4.01Å; K472-Y565 HydrophobicContact CD-CE2 4.2Å; K472-Y565 PolarHBondContact NZ-O 3.44Å; L476-Y565 HydrophobicContact CB-CE2 4.5Å; L476-Y565 HydrophobicContact CD2-CD2 3.64Å; L476-Y565 HydrophobicContact CD2-CE2 3.85Å; F493-Y565 WeakPolarHBondContact O-CB 3.32Å; F493-Y565 PolarHBondContact O-N 2.85Å; A494-Y565 HydrophobicContact CB-CD1 4.41Å; V499-Y565 HydrophobicContact CG1-CD1 3.9Å; V499-Y565 HydrophobicContact CG1-CE1 3.68Å; V499-Y565 HydrophobicContact CG1-CG 4.5Å; V499-Y565 HydrophobicContact CG2-CE1 4.32Å; Y565-L595 HydrophobicContact CD2-CD1 3.82Å; Y565-L595 HydrophobicContact CE2-CD1 4.29Å
566	D	88.9	Confident	87.3	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	-139.9	125.6	-179.3	77.7	-63.6	0	0	0	110.4	K423 D427 A494 H495	K423-D566 WeakPolarHBondContact CE-OD2 3.16Å; K423-D566 IonicContact NZ-OD2 2.71Å; K423-D566 PolarHBondContact NZ-OD2 2.84Å; D427-D566 VanDerWaalsContact OD1-CB 3.32Å; D427-D566 WeakPolarHBondContact OD1-CB 3Å; D427-D566 WeakPolarHBondContact OD2-CB 3.28Å; A494-D566 WeakPolarHBondContact CA-OD1 3.37Å; H495-D566 WeakPolarHBondContact CB-OD2 3.32Å; H495-D566 PolarHBondContact CE1-O 3.45Å; H495-D566 VanDerWaalsContact CE1-O 3.31Å; H495-D566 IonicContact CE1-OD2 3.71Å; H495-D566 IonicContact CG-OD1 2.66Å; H495-D566 IonicContact CG-OD2 2.83Å; H495-D566 PolarHBondContact N-OD1 3.17Å; H495-D566 PolarHBondContact ND1-O 3.16Å; H495-D566 IonicContact ND1-OD1 3.91Å; H495-D566 PolarHBondContact ND1-OD1 3.14Å; H495-D566 IonicContact ND1-OD2 3.18Å; H495-D566 PolarHBondContact ND1-OD2 3.37Å
567	P	85.4	Confident	87.2	Confident	4 Å²	4	14.3 Å²	14.3	3%	0.026	8%	0.082	C	C	.	.			trans	-75.6	145.1	-176	28.7	-33.8	0	0	0	112.3	K423	K423-P567 PolarHBondContact NZ-O 2.85Å
568	S	84.7	Confident	87.2	Confident	8 Å²	8	13.4 Å²	13.4	6%	0.056	8%	0.076	C	C	.	.			trans	-71.9	157	170.4	-64.5	0	0	0	0	112.6	H495 N570 T573 D574 Q609	H495-S568 PolarHBondContact CE1-OG 2.86Å; H495-S568 VanDerWaalsContact CE1-OG 3.23Å; H495-S568 PolarHBondContact NE2-OG 2.9Å; S568-N570 WeakPolarHBondContact CB-O 3.34Å; S568-N570 PolarHBondContact O-N 2.96Å; S568-T573 WeakPolarHBondContact CB-OG1 3.45Å; S568-T573 PolarHBondContact OG-OG1 2.77Å; S568-D574 VanDerWaalsContact CB-OD1 3.27Å; S568-D574 WeakPolarHBondContact CB-OD1 3.28Å; S568-D574 PolarHBondContact N-OD1 2.68Å; S568-D574 VanDerWaalsContact N-OD1 3.07Å; S568-D574 PolarHBondContact OG-OD1 3.03Å; S568-D574 VanDerWaalsContact OG-OD1 3.1Å; S568-Q609 WeakPolarHBondContact O-CG 3.45Å; S568-Q609 PolarHBondContact O-NE2 3.34Å
569	W	80.2	Confident	87	Confident	74 Å²	74	13.9 Å²	13.9	28%	0.28	8%	0.076	S	C	.	.	S	Bend	trans	-63	-19.7	165.3	-72.8	101.2	0	0	0	113.7	L419 I605 L638	L419-W569 HydrophobicContact CB-CZ2 4.22Å; L419-W569 HydrophobicContact CD1-CH2 4.1Å; L419-W569 HydrophobicContact CD1-CZ2 4.24Å; W569-I605 HydrophobicContact CD2-CD1 4.47Å; W569-I605 HydrophobicContact CD2-CG1 4.14Å; W569-I605 HydrophobicContact CD2-CG2 4.37Å; W569-I605 HydrophobicContact CE3-CG1 3.99Å; W569-I605 HydrophobicContact CE3-CG2 4.34Å; W569-I605 HydrophobicContact CH2-CD1 4.22Å; W569-I605 HydrophobicContact CH2-CG1 3.66Å; W569-I605 HydrophobicContact CZ2-CD1 3.86Å; W569-I605 HydrophobicContact CZ2-CG1 3.8Å; W569-I605 HydrophobicContact CZ3-CG1 3.76Å; W569-L638 HydrophobicContact CH2-CD2 4.29Å
570	N	80.1	Confident	86.7	Confident	23 Å²	23	14.1 Å²	14.1	12%	0.123	8%	0.077	C	C	.	.	S	Bend	trans	-113.4	114.3	-179.5	179.3	-4.7	0	0	0	110.8	S568 A572 T573	S568-N570 WeakPolarHBondContact CB-O 3.34Å; S568-N570 PolarHBondContact O-N 2.96Å; N570-A572 PolarHBondContact O-N 3.24Å; N570-A572 VanDerWaalsContact O-N 3.13Å; N570-A572 WeakPolarHBondContact OD1-CB 3.49Å; N570-A572 PolarHBondContact OD1-N 2.97Å; N570-T573 PolarHBondContact O-N 3.42Å; N570-T573 PolarHBondContact O-OG1 3.43Å
571	P	82.2	Confident	86.5	Confident	16 Å²	16	13.9 Å²	13.9	10%	0.104	8%	0.076	C	C	.	.	H	α-helix	trans	-62.6	-22.1	-178.6	27.2	-35.4	0	0	0	113.4	T573 A575 Q609 K612 D613	P571-T573 VanDerWaalsContact C-N 3.29Å; P571-T573 PolarHBondContact O-N 2.74Å; P571-A575 WeakPolarHBondContact O-CB 3.38Å; P571-A575 PolarHBondContact O-N 3.35Å; P571-Q609 HydrophobicContact CB-CB 4.2Å; P571-Q609 HydrophobicContact CB-CG 4.39Å; P571-K612 HydrophobicContact CG-CB 3.95Å; P571-D613 HydrophobicContact CG-CB 4.43Å
572	A	79.8	Confident	86.3	Confident	5 Å²	5	13.7 Å²	13.7	4%	0.041	8%	0.075	C	C	.	.	H	α-helix	trans	-65	-30.8	178.5	0	0	0	0	0	113	T270 Q273 N570 Q576	T270-A572 HydrophobicContact CG2-CB 3.96Å; Q273-A572 HydrophobicContact CG-CB 4.05Å; N570-A572 PolarHBondContact O-N 3.24Å; N570-A572 VanDerWaalsContact O-N 3.13Å; N570-A572 WeakPolarHBondContact OD1-CB 3.49Å; N570-A572 PolarHBondContact OD1-N 2.97Å; A572-Q576 WeakPolarHBondContact O-CB 3.33Å; A572-Q576 WeakPolarHBondContact O-CG 3.15Å; A572-Q576 PolarHBondContact O-N 3.36Å
573	T	82.6	Confident	85.8	Confident	41 Å²	41	16 Å²	16	25%	0.252	8%	0.084	S	C	.	.	H	α-helix	trans	-76.2	-41.8	180	54.4	0	0	0	0	112.1	S568 N570 P571 A575 Q576 A577	S568-T573 WeakPolarHBondContact CB-OG1 3.45Å; S568-T573 PolarHBondContact OG-OG1 2.77Å; N570-T573 PolarHBondContact O-N 3.42Å; N570-T573 PolarHBondContact O-OG1 3.43Å; P571-T573 VanDerWaalsContact C-N 3.29Å; P571-T573 PolarHBondContact O-N 2.74Å; T573-A575 VanDerWaalsContact C-N 3.34Å; T573-A575 PolarHBondContact O-N 3.49Å; T573-Q576 WeakPolarHBondContact O-CB 2.98Å; T573-Q576 PolarHBondContact O-N 2.69Å; T573-A577 PolarHBondContact O-N 3.01Å
574	D	86.2	Confident	85.2	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57.9	-46.2	169.2	-68.5	14.6	0	0	0	111	I564 S568 Q576 A577 V578 R594 Q609	I564-D574 HydrophobicContact CD1-CB 4.03Å; S568-D574 VanDerWaalsContact CB-OD1 3.27Å; S568-D574 WeakPolarHBondContact CB-OD1 3.28Å; S568-D574 PolarHBondContact N-OD1 2.68Å; S568-D574 VanDerWaalsContact N-OD1 3.07Å; S568-D574 PolarHBondContact OG-OD1 3.03Å; S568-D574 VanDerWaalsContact OG-OD1 3.1Å; D574-Q576 PolarHBondContact O-N 2.82Å; D574-A577 WeakPolarHBondContact O-CB 3.44Å; D574-A577 PolarHBondContact O-N 3.18Å; D574-V578 WeakPolarHBondContact O-CG2 3.26Å; D574-V578 PolarHBondContact O-N 2.72Å; D574-R594 IonicContact OD2-NH1 3.88Å; D574-R594 PolarHBondContact OD2-NH1 3.28Å; D574-Q609 PolarHBondContact OD2-NE2 3.05Å
575	A	82.4	Confident	84.5	Confident	42 Å²	42	20.1 Å²	20.1	35%	0.347	12%	0.117	S	C	.	.	H	α-helix	trans	-62.2	-41.5	177.5	0	0	0	0	0	112.1	P571 T573 A577 V578 D579	P571-A575 WeakPolarHBondContact O-CB 3.38Å; P571-A575 PolarHBondContact O-N 3.35Å; T573-A575 VanDerWaalsContact C-N 3.34Å; T573-A575 PolarHBondContact O-N 3.49Å; A575-A577 VanDerWaalsContact C-N 3.29Å; A575-A577 PolarHBondContact O-N 2.74Å; A575-V578 PolarHBondContact O-N 2.63Å; A575-D579 WeakPolarHBondContact O-CB 3.43Å; A575-D579 PolarHBondContact O-N 3.47Å
576	Q	84.3	Confident	84.1	Confident	10 Å²	10	20.6 Å²	20.6	5%	0.047	12%	0.119	C	C	.	.	H	α-helix	trans	-58.8	-38	173.1	-81.4	173.6	24.1	0	0	112.7	M136 A572 T573 D574 R580	M136-Q576 HydrophobicContact CE-CG 3.97Å; M136-Q576 HydrophobicContact SD-CG 3.54Å; M136-Q576 VanDerWaalsContact SD-CG 3.54Å; A572-Q576 WeakPolarHBondContact O-CB 3.33Å; A572-Q576 WeakPolarHBondContact O-CG 3.15Å; A572-Q576 PolarHBondContact O-N 3.36Å; T573-Q576 WeakPolarHBondContact O-CB 2.98Å; T573-Q576 PolarHBondContact O-N 2.69Å; D574-Q576 PolarHBondContact O-N 2.82Å; Q576-R580 WeakPolarHBondContact O-CG 3.45Å; Q576-R580 PolarHBondContact O-NE 3.14Å
577	A	86.3	Confident	83.8	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.008	15%	0.154	C	C	.	.	H	α-helix	trans	-69.7	-44.4	177.8	0	0	0	0	0	112.1	F493 T573 D574 A575 D579 R580	F493-A577 HydrophobicContact CD1-CB 4.07Å; F493-A577 HydrophobicContact CD2-CB 4Å; F493-A577 HydrophobicContact CE1-CB 3.98Å; F493-A577 HydrophobicContact CE2-CB 3.9Å; F493-A577 HydrophobicContact CG-CB 4.08Å; F493-A577 HydrophobicContact CZ-CB 3.89Å; T573-A577 PolarHBondContact O-N 3.01Å; D574-A577 WeakPolarHBondContact O-CB 3.44Å; D574-A577 PolarHBondContact O-N 3.18Å; A575-A577 VanDerWaalsContact C-N 3.29Å; A575-A577 PolarHBondContact O-N 2.74Å; A577-D579 VanDerWaalsContact C-N 3.33Å; A577-D579 PolarHBondContact O-N 3.34Å; A577-R580 WeakPolarHBondContact O-CB 3.17Å; A577-R580 WeakPolarHBondContact O-CG 3.33Å; A577-R580 PolarHBondContact O-N 2.9Å
578	V	87.7	Confident	83.9	Confident	4 Å²	4	30.7 Å²	30.7	2%	0.024	17%	0.174	C	C	.	.	H	α-helix	trans	-59.5	-42.5	174.4	171.4	0	0	0	0	111.7	K379 I564 D574 A575 R580 A581 Y582 I592	K379-V578 HydrophobicContact CD-CG1 4.34Å; I564-V578 HydrophobicContact CD1-CG2 3.99Å; D574-V578 WeakPolarHBondContact O-CG2 3.26Å; D574-V578 PolarHBondContact O-N 2.72Å; A575-V578 PolarHBondContact O-N 2.63Å; V578-R580 PolarHBondContact O-N 3.34Å; V578-R580 VanDerWaalsContact O-N 3.07Å; V578-A581 PolarHBondContact O-N 2.81Å; V578-Y582 PolarHBondContact O-N 3.13Å; V578-I592 HydrophobicContact CB-CG1 4.44Å; V578-I592 HydrophobicContact CG1-CD1 3.86Å; V578-I592 HydrophobicContact CG1-CG1 3.69Å; V578-I592 HydrophobicContact CG2-CG1 3.91Å; V578-I592 HydrophobicContact CG2-CG2 3.89Å
579	D	86.1	Confident	84	Confident	27 Å²	27	33.4 Å²	33.4	14%	0.144	19%	0.188	C	C	.	.	H	α-helix	trans	-68.9	-2.3	180	-91.4	8.3	0	0	0	114.5	M136 K342 A575 A577	M136-D579 HydrophobicContact CB-CB 4.29Å; M136-D579 WeakPolarHBondContact CB-OD2 3.46Å; K342-D579 IonicContact NZ-OD1 2.7Å; K342-D579 PolarHBondContact NZ-OD1 2.88Å; K342-D579 IonicContact NZ-OD2 3.79Å; K342-D579 PolarHBondContact NZ-OD2 2.94Å; A575-D579 WeakPolarHBondContact O-CB 3.43Å; A575-D579 PolarHBondContact O-N 3.47Å; A577-D579 VanDerWaalsContact C-N 3.33Å; A577-D579 PolarHBondContact O-N 3.34Å
580	R	85.4	Confident	84.5	Confident	6 Å²	6	29.9 Å²	29.9	2%	0.023	18%	0.175	C	C	.	.	H	α-helix	trans	-76	-34.7	167.1	-51.5	-54.3	164.9	-158.4	-4.5	112.3	G550 G551 G553 I554 L556 Q576 A577 V578	G550-R580 WeakPolarHBondContact O-CD 3.42Å; G550-R580 WeakPolarHBondContact O-CG 3.42Å; G550-R580 PolarHBondContact O-NE 3.5Å; G551-R580 PolarHBondContact O-NH2 3.01Å; G553-R580 PolarHBondContact O-NH1 3.28Å; I554-R580 HydrophobicContact CG1-CB 4.25Å; I554-R580 HydrophobicContact CG1-CG 3.9Å; I554-R580 WeakPolarHBondContact O-CD 3.35Å; L556-R580 CarbonylContact C-O 3.6Å; L556-R580 WeakPolarHBondContact CA-O 3.46Å; L556-R580 PolarHBondContact N-O 3.03Å; Q576-R580 WeakPolarHBondContact O-CG 3.45Å; Q576-R580 PolarHBondContact O-NE 3.14Å; A577-R580 WeakPolarHBondContact O-CB 3.17Å; A577-R580 WeakPolarHBondContact O-CG 3.33Å; A577-R580 PolarHBondContact O-N 2.9Å; V578-R580 PolarHBondContact O-N 3.34Å; V578-R580 VanDerWaalsContact O-N 3.07Å
581	A	87.2	Confident	85	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-90.5	-39	173.6	0	0	0	0	0	112.2	L491 V562 V578 R583 Q586	L491-A581 HydrophobicContact CD1-CB 4.06Å; V562-A581 HydrophobicContact CG2-CB 3.66Å; V578-A581 PolarHBondContact O-N 2.81Å; A581-R583 VanDerWaalsContact C-N 3.33Å; A581-R583 PolarHBondContact O-N 2.95Å; A581-R583 VanDerWaalsContact O-N 3.11Å; A581-Q586 PolarHBondContact O-NE2 3.45Å; A581-Q586 VanDerWaalsContact O-NE2 3.08Å
582	Y	87.7	Confident	85.5	Confident	23 Å²	23	28.1 Å²	28.1	9%	0.09	17%	0.165	C	C	.	.	S	Bend	trans	-88.8	65.5	-179.4	-169.8	-118.1	0	0	0	112.6	K342 L376 T377 K379 V578 V590	K342-Y582 HydrophobicContact CD-CD1 4.03Å; K342-Y582 HydrophobicContact CD-CE1 3.69Å; K342-Y582 PolarHBondContact NZ-O 3.07Å; L376-Y582 HydrophobicContact CB-CE2 4.03Å; L376-Y582 HydrophobicContact CD1-CE1 4.33Å; T377-Y582 WeakPolarHBondContact O-CE2 3.37Å; T377-Y582 PolarHBondContact O-OH 2.69Å; K379-Y582 HydrophobicContact CB-CD1 4.42Å; K379-Y582 HydrophobicContact CB-CD2 4.23Å; K379-Y582 HydrophobicContact CB-CE1 4.18Å; K379-Y582 HydrophobicContact CB-CE2 4.01Å; K379-Y582 HydrophobicContact CB-CG 4.45Å; K379-Y582 HydrophobicContact CD-CD1 4.13Å; K379-Y582 HydrophobicContact CD-CE1 4.44Å; K379-Y582 HydrophobicContact CD-CG 4.46Å; K379-Y582 HydrophobicContact CG-CD1 4.3Å; K379-Y582 HydrophobicContact CG-CD2 4.38Å; K379-Y582 HydrophobicContact CG-CG 4.24Å; V578-Y582 PolarHBondContact O-N 3.13Å; Y582-V590 HydrophobicContact CD2-CB 4.42Å; Y582-V590 HydrophobicContact CD2-CG2 4.17Å
583	R	84.8	Confident	86.1	Confident	49 Å²	49	27.9 Å²	27.9	19%	0.185	16%	0.163	C	C	.	.	S	Bend	trans	-124.9	161.1	-174.7	-165	159.6	176.8	171.7	-1.5	111.3	G553 I554 T555 T557 A581 G585 Q586	G553-R583 PolarHBondContact O-NH1 2.87Å; I554-R583 PolarHBondContact O-NH1 2.9Å; T555-R583 PolarHBondContact OG1-NE 3.48Å; T555-R583 PolarHBondContact OG1-NH1 3.16Å; T557-R583 HydrophobicContact CG2-CB 3.94Å; A581-R583 VanDerWaalsContact C-N 3.33Å; A581-R583 PolarHBondContact O-N 2.95Å; A581-R583 VanDerWaalsContact O-N 3.11Å; R583-G585 PolarHBondContact O-N 2.75Å; R583-Q586 VanDerWaalsContact O-CB 3.26Å; R583-Q586 WeakPolarHBondContact O-CB 3.36Å; R583-Q586 PolarHBondContact O-N 2.77Å
584	I	80.8	Confident	86.6	Confident	40 Å²	40	26.6 Å²	26.6	21%	0.205	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	131	174	-58.3	176.8	0	0	0	108.8	Y109 G137 M373 L376	Y109-I584 HydrophobicContact CE2-CD1 4.05Å; G137-I584 VanDerWaalsContact O-CD1 3.22Å; G137-I584 WeakPolarHBondContact O-CD1 3.21Å; G137-I584 WeakPolarHBondContact O-CG1 3.39Å; M373-I584 HydrophobicContact CE-CD1 3.85Å; M373-I584 HydrophobicContact CE-CG1 4.05Å; L376-I584 HydrophobicContact CD2-CB 4.41Å; L376-I584 HydrophobicContact CD2-CG1 4.05Å
585	G	79.3	Confident	86.9	Confident	48 Å²	48	26.6 Å²	26.6	50%	0.495	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.1	-4.7	-169.9	0	0	0	0	0	114.6	R583	R583-G585 PolarHBondContact O-N 2.75Å
586	Q	84.5	Confident	87.3	Confident	11 Å²	11	24.7 Å²	24.7	5%	0.051	14%	0.137	C	C	.	.			trans	-70.8	132.9	166.2	178.6	57.7	-96.4	0	0	110.8	T377 T557 A559 A581 R583 E588 V590	T377-Q586 WeakPolarHBondContact OG1-CG 3.39Å; T557-Q586 HydrophobicContact CG2-CB 4.26Å; T557-Q586 PolarHBondContact O-NE2 3.39Å; T557-Q586 PolarHBondContact O-OE1 3.41Å; A559-Q586 PolarHBondContact O-NE2 3.04Å; A581-Q586 PolarHBondContact O-NE2 3.45Å; A581-Q586 VanDerWaalsContact O-NE2 3.08Å; R583-Q586 VanDerWaalsContact O-CB 3.26Å; R583-Q586 WeakPolarHBondContact O-CB 3.36Å; R583-Q586 PolarHBondContact O-N 2.77Å; Q586-E588 WeakPolarHBondContact CG-O 3.31Å; Q586-E588 PolarHBondContact OE1-O 3.4Å; Q586-V590 HydrophobicContact CG-CG2 3.69Å
587	T	83.2	Confident	87.5	Confident	119 Å²	119	24.2 Å²	24.2	73%	0.73	14%	0.135	S	C	*	.			trans	-115.7	-11.8	-177.5	54.6	0	0	0	0	114.3	T377	T377-T587 WeakPolarHBondContact CG2-O 3.46Å
588	E	85.8	Confident	87.6	Confident	97 Å²	97	24.1 Å²	24.1	45%	0.453	14%	0.135	S	C	.	.	S	Bend	trans	-118.7	155.3	-179.3	-67.3	-177.2	-155.8	0	0	112.5	T377 N560 Q586 V590	T377-E588 VanDerWaalsContact CB-O 3.22Å; T377-E588 WeakPolarHBondContact CB-O 3.4Å; T377-E588 PolarHBondContact OG1-O 3.16Å; N560-E588 HydrophobicContact CB-CB 3.95Å; N560-E588 WeakPolarHBondContact CB-OE2 3.42Å; N560-E588 PolarHBondContact ND2-OE2 2.92Å; Q586-E588 WeakPolarHBondContact CG-O 3.31Å; Q586-E588 PolarHBondContact OE1-O 3.4Å; E588-V590 PolarHBondContact O-N 3.08Å
589	N	87.5	Confident	87.1	Confident	65 Å²	65	24 Å²	24	35%	0.348	13%	0.133	S	C	.	.			trans	-64.4	126	177	-74.7	-7.3	0	0	0	110.5	R378 R561 D664	R378-N589 HydrophobicContact CB-CB 4.41Å; R378-N589 WeakPolarHBondContact CB-OD1 3.42Å; R378-N589 PolarHBondContact N-OD1 3.38Å; R378-N589 CarbonylContact O-C 3.08Å; R378-N589 WeakPolarHBondContact O-CA 3.32Å; R561-N589 PolarHBondContact NH1-O 3.02Å; N589-D664 PolarHBondContact ND2-OD2 3.41Å
590	V	89.9	Confident	87.1	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	119.8	-175.8	-177.1	0	0	0	0	109.9	R378 K379 N380 N560 V562 Y582 Q586 E588 I592	R378-V590 PolarHBondContact O-N 2.82Å; K379-V590 CarbonylContact C-O 3.5Å; K379-V590 WeakPolarHBondContact CA-O 3.12Å; N380-V590 PolarHBondContact N-O 3.12Å; N560-V590 WeakPolarHBondContact O-CA 3.42Å; V562-V590 HydrophobicContact CG2-CG1 4.39Å; Y582-V590 HydrophobicContact CD2-CB 4.42Å; Y582-V590 HydrophobicContact CD2-CG2 4.17Å; Q586-V590 HydrophobicContact CG-CG2 3.69Å; E588-V590 PolarHBondContact O-N 3.08Å; V590-I592 HydrophobicContact CG1-CD1 4.15Å
591	V	91.4	Very high	86.9	Confident	3 Å²	3	22.4 Å²	22.4	2%	0.018	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	129.8	171.5	-172.1	0	0	0	0	109.1	N380 L382 N560 R561 V562 Y593 L667	N380-V591 HydrophobicContact CB-CG2 4.48Å; N380-V591 WeakPolarHBondContact O-CA 3.43Å; L382-V591 HydrophobicContact CD1-CG1 3.79Å; L382-V591 HydrophobicContact CG-CG1 4.28Å; N560-V591 PolarHBondContact O-N 3.45Å; R561-V591 WeakPolarHBondContact CA-O 3.48Å; V562-V591 PolarHBondContact N-O 3.07Å; V591-Y593 HydrophobicContact CB-CE2 4.34Å; V591-Y593 HydrophobicContact CG1-CD1 4.38Å; V591-Y593 HydrophobicContact CG1-CE1 3.78Å; V591-Y593 HydrophobicContact CG1-CE2 4.06Å; V591-L667 HydrophobicContact CG2-CD1 3.99Å
592	I	92.5	Very high	86.9	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136.1	173.8	-53.3	87.7	0	0	0	108.3	K379 N380 D381 L382 V562 I564 V578 V590 R594	K379-I592 HydrophobicContact CD-CD1 3.75Å; K379-I592 HydrophobicContact CG-CD1 3.45Å; K379-I592 VanDerWaalsContact CG-CD1 3.45Å; N380-I592 WeakPolarHBondContact O-CD1 3.39Å; N380-I592 PolarHBondContact O-N 3.19Å; D381-I592 HydrophobicContact CB-CD1 4.4Å; L382-I592 WeakPolarHBondContact CA-O 3.2Å; L382-I592 WeakPolarHBondContact CB-O 3.34Å; L382-I592 PolarHBondContact N-O 3.12Å; V562-I592 HydrophobicContact CB-CG1 4.19Å; V562-I592 HydrophobicContact CB-CG2 4.36Å; V562-I592 HydrophobicContact CG1-CG2 4.34Å; V562-I592 CarbonylContact O-C 3.59Å; V562-I592 VanDerWaalsContact O-CA 3.27Å; V562-I592 WeakPolarHBondContact O-CA 3.28Å; I564-I592 HydrophobicContact CD1-CG2 4.26Å; V578-I592 HydrophobicContact CB-CG1 4.44Å; V578-I592 HydrophobicContact CG1-CD1 3.86Å; V578-I592 HydrophobicContact CG1-CG1 3.69Å; V578-I592 HydrophobicContact CG2-CG1 3.91Å; V578-I592 HydrophobicContact CG2-CG2 3.89Å; V590-I592 HydrophobicContact CG1-CD1 4.15Å; I592-R594 HydrophobicContact CG2-CG 4.46Å
593	Y	92.9	Very high	86.8	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	119	172.1	-45.6	-91.6	0	0	0	108.8	L382 V384 L479 L483 R561 V562 V563 I564 V591 H670 L674	L382-Y593 HydrophobicContact CD1-CE1 4.39Å; L382-Y593 CarbonylContact O-C 3.54Å; L382-Y593 WeakPolarHBondContact O-CA 3.5Å; V384-Y593 HydrophobicContact CG2-CD1 4.33Å; L479-Y593 HydrophobicContact CD1-CE1 4.29Å; L479-Y593 HydrophobicContact CD2-CD1 4.34Å; L479-Y593 HydrophobicContact CD2-CD2 4.09Å; L479-Y593 HydrophobicContact CD2-CE2 4.46Å; L479-Y593 HydrophobicContact CD2-CG 4.02Å; L483-Y593 HydrophobicContact CD1-CE2 4.12Å; R561-Y593 HydrophobicContact CB-CE2 4.4Å; R561-Y593 WeakPolarHBondContact CD-OH 3.43Å; V562-Y593 WeakPolarHBondContact O-CD2 3.16Å; V562-Y593 PolarHBondContact O-N 3.34Å; V563-Y593 WeakPolarHBondContact CA-O 3.47Å; V563-Y593 HydrophobicContact CG2-CD2 3.96Å; I564-Y593 PolarHBondContact N-O 3.43Å; V591-Y593 HydrophobicContact CB-CE2 4.34Å; V591-Y593 HydrophobicContact CG1-CD1 4.38Å; V591-Y593 HydrophobicContact CG1-CE1 3.78Å; V591-Y593 HydrophobicContact CG1-CE2 4.06Å; Y593-H670 AromaticContact CE1-NE2 3.66Å; Y593-H670 AromaticContact CZ-NE2 3.61Å; Y593-H670 PolarHBondContact OH-CE1 3.16Å; Y593-H670 PolarHBondContact OH-NE2 3.4Å; Y593-L674 HydrophobicContact CE1-CD1 4.02Å
594	R	92.8	Very high	86.6	Confident	14 Å²	14	19.4 Å²	19.4	5%	0.053	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	115.9	171.6	-61	176.1	-170.1	-98.9	-4.1	108.3	D381 L382 V384 I564 D574 I592	D381-R594 IonicContact OD1-CZ 3.71Å; D381-R594 IonicContact OD1-NE 3.3Å; D381-R594 PolarHBondContact OD1-NE 2.89Å; D381-R594 IonicContact OD1-NH2 3.83Å; D381-R594 PolarHBondContact OD1-NH2 3.26Å; D381-R594 IonicContact OD2-CZ 2.72Å; D381-R594 IonicContact OD2-NE 3.03Å; D381-R594 IonicContact OD2-NH2 3.57Å; D381-R594 PolarHBondContact OD2-NH2 3.47Å; L382-R594 PolarHBondContact O-N 2.94Å; V384-R594 PolarHBondContact N-O 3.38Å; I564-R594 HydrophobicContact CB-CG 4.42Å; I564-R594 HydrophobicContact CD1-CG 4.19Å; D574-R594 IonicContact OD2-NH1 3.88Å; D574-R594 PolarHBondContact OD2-NH1 3.28Å; I592-R594 HydrophobicContact CG2-CG 4.46Å
595	L	92.4	Very high	86.7	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	130.2	175.8	-49.8	-171.8	0	0	0	109.2	V384 K472 F475 L476 V563 I564 Y565	V384-L595 HydrophobicContact CB-CD2 4.01Å; V384-L595 HydrophobicContact CG1-CD2 4.44Å; V384-L595 HydrophobicContact CG2-CD2 4.48Å; K472-L595 HydrophobicContact CD-CB 4.48Å; F475-L595 HydrophobicContact CD1-CD1 4.45Å; F475-L595 HydrophobicContact CD1-CD2 3.69Å; F475-L595 HydrophobicContact CE1-CD2 3.68Å; L476-L595 HydrophobicContact CB-CD1 4.34Å; V563-L595 HydrophobicContact CG1-CD1 4.28Å; V563-L595 HydrophobicContact CG1-CG 4.15Å; I564-L595 PolarHBondContact O-N 3.16Å; Y565-L595 HydrophobicContact CD2-CD1 3.82Å; Y565-L595 HydrophobicContact CE2-CD1 4.29Å
596	I	91.2	Very high	86.9	Confident	1 Å²	1	15.3 Å²	15.3	1%	0.005	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	131.9	177	-54.6	-176.6	0	0	0	108.4	I383 V384 W385 T386 E602 E603 Y606	I383-I596 HydrophobicContact CG2-CD1 3.58Å; I383-I596 HydrophobicContact CG2-CG1 4.17Å; V384-I596 PolarHBondContact O-N 3.2Å; V384-I596 VanDerWaalsContact O-N 3.13Å; W385-I596 HydrophobicContact CE3-CB 4.21Å; W385-I596 HydrophobicContact CE3-CG2 4.09Å; W385-I596 HydrophobicContact CH2-CD1 4.42Å; W385-I596 HydrophobicContact CZ3-CB 4.23Å; W385-I596 HydrophobicContact CZ3-CG2 3.72Å; T386-I596 PolarHBondContact N-O 3.48Å; T386-I596 PolarHBondContact OG1-O 3.41Å; I596-E602 HydrophobicContact CG2-CB 3.96Å; I596-E603 HydrophobicContact CG2-CB 4.35Å; I596-Y606 HydrophobicContact CD1-CD1 4.02Å; I596-Y606 HydrophobicContact CD1-CD2 3.74Å; I596-Y606 HydrophobicContact CD1-CE2 4.44Å; I596-Y606 HydrophobicContact CD1-CG 3.52Å
597	T	89.1	Confident	86.6	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	122.9	173.4	41	0	0	0	0	112.8	T386 L388 C426 K472 T600 E602	T386-T597 WeakPolarHBondContact O-CA 3.39Å; L388-T597 HydrophobicContact CD1-CG2 4.26Å; C426-T597 WeakPolarHBondContact CB-OG1 3.24Å; K472-T597 HydrophobicContact CG-CG2 3.99Å; T597-T600 PolarHBondContact O-N 3.25Å; T597-T600 PolarHBondContact O-OG1 3.05Å; T597-T600 PolarHBondContact OG1-OG1 3.47Å; T597-E602 PolarHBondContact N-OE2 2.97Å; T597-E602 PolarHBondContact OG1-OE2 3.42Å; T597-E602 VanDerWaalsContact OG1-OE2 3.13Å
598	C	86.6	Confident	86.3	Confident	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	136.9	-177.3	-64.4	0	0	0	0	113.2	T386 T600	T386-C598 PolarHBondContact O-N 3.45Å; T386-C598 PolarHBondContact O-SG 2.9Å; C598-T600 WeakPolarHBondContact O-CG2 3.41Å; C598-T600 PolarHBondContact O-N 3.26Å
599	G	78.3	Confident	86	Confident	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	-2.9	173.8	0	0	0	0	0	116.4	E603 E642	G599-E603 PolarHBondContact N-OE2 2.71Å; G599-E642 PolarHBondContact O-N 3.2Å
600	T	85.1	Confident	85.6	Confident	0 Å²	0	5.4 Å²	5.4	0%	0	2%	0.022	C	C	.	.	S	Bend	trans	-87.3	179.9	-179.4	69.3	0	0	0	0	113.2	L388 Y396 T597 C598 E602 E603	L388-T600 HydrophobicContact CD1-CG2 4.28Å; L388-T600 HydrophobicContact CD2-CG2 4.15Å; Y396-T600 HydrophobicContact CE2-CG2 4.19Å; T597-T600 PolarHBondContact O-N 3.25Å; T597-T600 PolarHBondContact O-OG1 3.05Å; T597-T600 PolarHBondContact OG1-OG1 3.47Å; C598-T600 WeakPolarHBondContact O-CG2 3.41Å; C598-T600 PolarHBondContact O-N 3.26Å; T600-E602 PolarHBondContact O-N 3.06Å; T600-E602 PolarHBondContact OG1-N 3.07Å; T600-E603 PolarHBondContact O-N 3.39Å
601	V	82.9	Confident	84.7	Confident	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-52.9	-33.1	169.5	68.8	0	0	0	0	112.6	Y396 L419 L422 E603 K604 I605	Y396-V601 PolarHBondContact OH-N 3.26Å; L419-V601 HydrophobicContact CD2-CG2 3.54Å; L422-V601 HydrophobicContact CB-CB 4.35Å; L422-V601 HydrophobicContact CB-CG1 3.87Å; V601-E603 PolarHBondContact O-N 3.5Å; V601-K604 WeakPolarHBondContact O-CB 3.35Å; V601-K604 PolarHBondContact O-N 3.41Å; V601-I605 HydrophobicContact CG2-CD1 4.15Å; V601-I605 HydrophobicContact CG2-CG1 4.35Å; V601-I605 WeakPolarHBondContact O-CG1 3.48Å; V601-I605 PolarHBondContact O-N 2.92Å
602	E	86.2	Confident	83.9	Confident	0 Å²	0	10.1 Å²	10.1	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-64.9	-39.9	-177.5	-60.4	-152.5	129.5	0	0	113.3	C426 K472 I596 T597 T600 K604 I605 Y606	C426-E602 HydrophobicContact CB-CG 3.89Å; K472-E602 WeakPolarHBondContact CE-OE2 3.35Å; K472-E602 IonicContact NZ-OE1 3.96Å; K472-E602 PolarHBondContact NZ-OE1 2.76Å; K472-E602 IonicContact NZ-OE2 2.77Å; K472-E602 PolarHBondContact NZ-OE2 3.09Å; I596-E602 HydrophobicContact CG2-CB 3.96Å; T597-E602 PolarHBondContact N-OE2 2.97Å; T597-E602 PolarHBondContact OG1-OE2 3.42Å; T597-E602 VanDerWaalsContact OG1-OE2 3.13Å; T600-E602 PolarHBondContact O-N 3.06Å; T600-E602 PolarHBondContact OG1-N 3.07Å; E602-K604 PolarHBondContact O-N 3.35Å; E602-I605 PolarHBondContact O-N 3.41Å; E602-Y606 WeakPolarHBondContact O-CB 3.42Å; E602-Y606 PolarHBondContact O-N 3.15Å
603	E	85.8	Confident	82.9	Confident	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-58.4	-34.7	175.5	-179.5	165.9	158.6	0	0	110.3	W385 I596 G599 T600 V601 Y606 R607 S647 T649	W385-E603 HydrophobicContact CH2-CG 4.07Å; W385-E603 HydrophobicContact CZ3-CB 4.19Å; W385-E603 HydrophobicContact CZ3-CG 3.77Å; I596-E603 HydrophobicContact CG2-CB 4.35Å; G599-E603 PolarHBondContact N-OE2 2.71Å; T600-E603 PolarHBondContact O-N 3.39Å; V601-E603 PolarHBondContact O-N 3.5Å; E603-Y606 PolarHBondContact O-N 2.9Å; E603-R607 WeakPolarHBondContact O-CG 3.47Å; E603-R607 PolarHBondContact O-N 3.41Å; E603-R607 IonicContact OE1-CZ 2.91Å; E603-R607 IonicContact OE1-NE 2.98Å; E603-R607 IonicContact OE1-NH2 2.76Å; E603-R607 PolarHBondContact OE1-NH2 3.5Å; E603-S647 PolarHBondContact OE1-OG 3.06Å; E603-S647 VanDerWaalsContact OE2-CB 3.24Å; E603-S647 WeakPolarHBondContact OE2-CB 3.13Å; E603-S647 PolarHBondContact OE2-OG 2.79Å; E603-T649 WeakPolarHBondContact CG-OG1 3.33Å; E603-T649 WeakPolarHBondContact OE1-CB 3.38Å; E603-T649 PolarHBondContact OE1-N 3.17Å; E603-T649 VanDerWaalsContact OE1-N 3.08Å; E603-T649 PolarHBondContact OE1-OG1 2.97Å
604	K	80.4	Confident	81.8	Confident	9 Å²	9	12.3 Å²	12.3	4%	0.039	6%	0.055	C	C	.	.	H	α-helix	trans	-83.2	-32.7	-178.9	-55	179	-168.6	176.9	0	113	V601 E602 Y606 R607 R608 E637 L638 T640	V601-K604 WeakPolarHBondContact O-CB 3.35Å; V601-K604 PolarHBondContact O-N 3.41Å; E602-K604 PolarHBondContact O-N 3.35Å; K604-Y606 VanDerWaalsContact C-N 3.27Å; K604-R607 PolarHBondContact O-N 2.98Å; K604-R608 WeakPolarHBondContact O-CG 3.45Å; K604-R608 PolarHBondContact O-N 2.97Å; K604-E637 WeakPolarHBondContact CD-O 3.49Å; K604-E637 WeakPolarHBondContact CE-O 3.3Å; K604-E637 PolarHBondContact NZ-O 3.1Å; K604-L638 HydrophobicContact CB-CD2 4.22Å; K604-L638 WeakPolarHBondContact CD-O 3.4Å; K604-L638 PolarHBondContact NZ-O 3.13Å; K604-L638 VanDerWaalsContact NZ-O 3.13Å; K604-T640 PolarHBondContact NZ-O 2.98Å; K604-T640 PolarHBondContact NZ-OG1 3.44Å
605	I	82.3	Confident	80.5	Confident	1 Å²	1	12.3 Å²	12.3	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-57.5	-45.8	164.9	-67.3	168.7	0	0	0	108.8	K423 W569 V601 E602 R608 Q609	K423-I605 HydrophobicContact CD-CD1 4.43Å; W569-I605 HydrophobicContact CD2-CD1 4.47Å; W569-I605 HydrophobicContact CD2-CG1 4.14Å; W569-I605 HydrophobicContact CD2-CG2 4.37Å; W569-I605 HydrophobicContact CE3-CG1 3.99Å; W569-I605 HydrophobicContact CE3-CG2 4.34Å; W569-I605 HydrophobicContact CH2-CD1 4.22Å; W569-I605 HydrophobicContact CH2-CG1 3.66Å; W569-I605 HydrophobicContact CZ2-CD1 3.86Å; W569-I605 HydrophobicContact CZ2-CG1 3.8Å; W569-I605 HydrophobicContact CZ3-CG1 3.76Å; V601-I605 HydrophobicContact CG2-CD1 4.15Å; V601-I605 HydrophobicContact CG2-CG1 4.35Å; V601-I605 WeakPolarHBondContact O-CG1 3.48Å; V601-I605 PolarHBondContact O-N 2.92Å; E602-I605 PolarHBondContact O-N 3.41Å; I605-R608 CarbonylContact O-C 3.57Å; I605-R608 WeakPolarHBondContact O-CB 3.45Å; I605-R608 PolarHBondContact O-N 3.44Å; I605-Q609 PolarHBondContact O-N 3.18Å
606	Y	84.7	Confident	79.4	Confident	1 Å²	1	12.8 Å²	12.8	0%	0.004	6%	0.059	C	C	.	.	H	α-helix	trans	-65.5	-43.3	176	179.7	-102.1	0	0	0	113.2	I383 W385 I596 E602 E603 K604 R608 Q609 V610 L653 H685	I383-Y606 HydrophobicContact CD1-CE1 4.13Å; I383-Y606 HydrophobicContact CD1-CE2 4.35Å; I383-Y606 WeakPolarHBondContact CD1-OH 3.43Å; W385-Y606 HydrophobicContact CH2-CD1 4.31Å; I596-Y606 HydrophobicContact CD1-CD1 4.02Å; I596-Y606 HydrophobicContact CD1-CD2 3.74Å; I596-Y606 HydrophobicContact CD1-CE2 4.44Å; I596-Y606 HydrophobicContact CD1-CG 3.52Å; E602-Y606 WeakPolarHBondContact O-CB 3.42Å; E602-Y606 PolarHBondContact O-N 3.15Å; E603-Y606 PolarHBondContact O-N 2.9Å; K604-Y606 VanDerWaalsContact C-N 3.27Å; Y606-R608 PolarHBondContact O-N 3.23Å; Y606-Q609 WeakPolarHBondContact O-CB 3.35Å; Y606-Q609 PolarHBondContact O-N 2.93Å; Y606-Q609 VanDerWaalsContact O-N 3.12Å; Y606-V610 HydrophobicContact CD1-CG2 4.26Å; Y606-V610 HydrophobicContact CD2-CG2 4.41Å; Y606-V610 HydrophobicContact CE1-CG2 3.66Å; Y606-V610 HydrophobicContact CE2-CG2 3.84Å; Y606-V610 WeakPolarHBondContact O-CG2 3.45Å; Y606-V610 PolarHBondContact O-N 2.98Å; Y606-V610 WeakPolarHBondContact OH-CG2 3.42Å; Y606-L653 HydrophobicContact CE1-CD1 4.42Å; Y606-H685 AromaticContact CE2-CE1 3.93Å; Y606-H685 AromaticContact CE2-ND1 3.62Å; Y606-H685 AromaticContact CZ-ND1 3.73Å; Y606-H685 PolarHBondContact OH-ND1 2.9Å
607	R	78.7	Confident	78.4	Confident	24 Å²	24	16.7 Å²	16.7	9%	0.091	7%	0.073	C	C	.	.	H	α-helix	trans	-54	-39.2	171.1	-68.8	179.3	-164.5	155.1	11.2	111.3	E603 K604 F611 F630 E642 S648 T649	E603-R607 WeakPolarHBondContact O-CG 3.47Å; E603-R607 PolarHBondContact O-N 3.41Å; E603-R607 IonicContact OE1-CZ 2.91Å; E603-R607 IonicContact OE1-NE 2.98Å; E603-R607 IonicContact OE1-NH2 2.76Å; E603-R607 PolarHBondContact OE1-NH2 3.5Å; K604-R607 PolarHBondContact O-N 2.98Å; R607-F611 PolarHBondContact O-N 2.85Å; R607-F630 HydrophobicContact CB-CD2 3.87Å; R607-F630 HydrophobicContact CB-CE2 3.73Å; R607-F630 HydrophobicContact CB-CG 4.39Å; R607-F630 HydrophobicContact CB-CZ 4.13Å; R607-F630 HydrophobicContact CG-CD1 4.36Å; R607-F630 HydrophobicContact CG-CD2 4.22Å; R607-F630 HydrophobicContact CG-CE1 3.92Å; R607-F630 HydrophobicContact CG-CE2 3.76Å; R607-F630 HydrophobicContact CG-CZ 3.61Å; R607-E642 IonicContact CZ-OE1 2.7Å; R607-E642 VanDerWaalsContact CZ-OE1 3.3Å; R607-E642 IonicContact CZ-OE2 2.64Å; R607-E642 IonicContact NH1-OE1 3.5Å; R607-E642 PolarHBondContact NH1-OE1 3.33Å; R607-E642 VanDerWaalsContact NH2-CD 3.3Å; R607-E642 IonicContact NH2-OE1 3.9Å; R607-E642 PolarHBondContact NH2-OE1 3.4Å; R607-E642 IonicContact NH2-OE2 2.82Å; R607-E642 PolarHBondContact NH2-OE2 2.65Å; R607-S648 PolarHBondContact NH2-OG 3.07Å; R607-T649 PolarHBondContact NE-OG1 3.44Å; R607-T649 PolarHBondContact NH2-OG1 2.87Å
608	R	76.8	Confident	77.2	Confident	55 Å²	55	17.9 Å²	17.9	21%	0.208	8%	0.079	C	C	.	.	H	α-helix	trans	-71.4	-41	174.4	-76	177.5	167.7	-128.4	-0.1	113.5	K604 I605 Y606 V610 F611 K612 L635	K604-R608 WeakPolarHBondContact O-CG 3.45Å; K604-R608 PolarHBondContact O-N 2.97Å; I605-R608 CarbonylContact O-C 3.57Å; I605-R608 WeakPolarHBondContact O-CB 3.45Å; I605-R608 PolarHBondContact O-N 3.44Å; Y606-R608 PolarHBondContact O-N 3.23Å; R608-V610 PolarHBondContact O-N 3.44Å; R608-F611 PolarHBondContact O-N 3.22Å; R608-K612 PolarHBondContact O-N 3.17Å; R608-L635 HydrophobicContact CG-CD2 3.72Å; R608-L635 PolarHBondContact NH2-O 2.82Å
609	Q	79.6	Confident	76	Confident	3 Å²	3	18.3 Å²	18.3	1%	0.014	8%	0.081	C	C	.	.	H	α-helix	trans	-56.7	-47.8	173.7	-76.8	-169.7	-34.7	0	0	111.3	S568 P571 D574 I605 Y606 F611 K612 D613	S568-Q609 WeakPolarHBondContact O-CG 3.45Å; S568-Q609 PolarHBondContact O-NE2 3.34Å; P571-Q609 HydrophobicContact CB-CB 4.2Å; P571-Q609 HydrophobicContact CB-CG 4.39Å; D574-Q609 PolarHBondContact OD2-NE2 3.05Å; I605-Q609 PolarHBondContact O-N 3.18Å; Y606-Q609 WeakPolarHBondContact O-CB 3.35Å; Y606-Q609 PolarHBondContact O-N 2.93Å; Y606-Q609 VanDerWaalsContact O-N 3.12Å; Q609-F611 VanDerWaalsContact C-N 3.3Å; Q609-F611 PolarHBondContact O-N 3.34Å; Q609-K612 PolarHBondContact O-N 2.85Å; Q609-K612 VanDerWaalsContact O-N 3.12Å; Q609-D613 PolarHBondContact O-N 3.08Å
610	V	77.4	Confident	75.1	Confident	3 Å²	3	19.2 Å²	19.2	2%	0.018	9%	0.086	C	C	.	.	H	α-helix	trans	-59.9	-40.3	179	170	0	0	0	0	111.6	Y606 R608 D613 S614 Y629 F630 M688 F689	Y606-V610 HydrophobicContact CD1-CG2 4.26Å; Y606-V610 HydrophobicContact CD2-CG2 4.41Å; Y606-V610 HydrophobicContact CE1-CG2 3.66Å; Y606-V610 HydrophobicContact CE2-CG2 3.84Å; Y606-V610 WeakPolarHBondContact O-CG2 3.45Å; Y606-V610 PolarHBondContact O-N 2.98Å; Y606-V610 WeakPolarHBondContact OH-CG2 3.42Å; R608-V610 PolarHBondContact O-N 3.44Å; V610-D613 PolarHBondContact O-N 3.39Å; V610-S614 PolarHBondContact O-N 3.41Å; V610-Y629 HydrophobicContact CG1-CD2 3.95Å; V610-Y629 HydrophobicContact CG1-CE2 4.43Å; V610-F630 HydrophobicContact CG1-CE2 4.5Å; V610-M688 HydrophobicContact CB-CE 4.25Å; V610-M688 HydrophobicContact CG1-CE 3.45Å; V610-M688 VanDerWaalsContact CG1-CE 3.45Å; V610-M688 HydrophobicContact CG2-CE 3.71Å; V610-F689 HydrophobicContact CG1-CZ 4.28Å
611	F	72.3	Confident	73.5	Confident	67 Å²	67	21 Å²	21	29%	0.294	11%	0.106	S	C	.	.	H	α-helix	trans	-67.9	-37.9	174.8	-175.1	-92.6	0	0	0	112.6	R607 R608 Q609 S614 L615	R607-F611 PolarHBondContact O-N 2.85Å; R608-F611 PolarHBondContact O-N 3.22Å; Q609-F611 VanDerWaalsContact C-N 3.3Å; Q609-F611 PolarHBondContact O-N 3.34Å; F611-S614 PolarHBondContact O-OG 3.12Å; F611-S614 VanDerWaalsContact O-OG 3.06Å; F611-L615 WeakPolarHBondContact O-CB 3.3Å; F611-L615 PolarHBondContact O-N 3.29Å
612	K	73.3	Confident	72.2	Confident	34 Å²	34	24.6 Å²	24.6	15%	0.148	12%	0.124	C	C	.	.	H	α-helix	trans	-67.1	-37.6	173.5	-75.9	-171.5	174.6	-175.6	0	112.1	N274 P571 R608 Q609 L615 I616 D874	N274-K612 PolarHBondContact OD1-NZ 3.42Å; P571-K612 HydrophobicContact CG-CB 3.95Å; R608-K612 PolarHBondContact O-N 3.17Å; Q609-K612 PolarHBondContact O-N 2.85Å; Q609-K612 VanDerWaalsContact O-N 3.12Å; K612-L615 WeakPolarHBondContact O-CB 3.33Å; K612-I616 WeakPolarHBondContact O-CD1 3.45Å; K612-I616 VanDerWaalsContact O-CG1 3.25Å; K612-I616 WeakPolarHBondContact O-CG1 3.32Å; K612-I616 PolarHBondContact O-N 3.45Å; K612-D874 IonicContact NZ-OD2 2.69Å; K612-D874 PolarHBondContact NZ-OD2 2.89Å
613	D	72.4	Confident	70.2	Confident	30 Å²	30	30.7 Å²	30.7	16%	0.16	16%	0.162	C	C	.	.	H	α-helix	trans	-73	-37.1	177.1	-169.4	49.4	0	0	0	113.2	P571 Q609 V610 L615 I616 R617 F689	P571-D613 HydrophobicContact CG-CB 4.43Å; Q609-D613 PolarHBondContact O-N 3.08Å; V610-D613 PolarHBondContact O-N 3.39Å; D613-L615 VanDerWaalsContact C-N 3.31Å; D613-L615 PolarHBondContact O-N 3.15Å; D613-I616 PolarHBondContact O-N 3.08Å; D613-I616 VanDerWaalsContact O-N 3.16Å; D613-R617 WeakPolarHBondContact O-CG 3.3Å; D613-R617 PolarHBondContact O-N 3.13Å; D613-R617 IonicContact OD1-NE 3.78Å; D613-R617 IonicContact OD2-CZ 2.73Å; D613-R617 IonicContact OD2-NE 3.2Å; D613-R617 PolarHBondContact OD2-NE 3.36Å; D613-R617 IonicContact OD2-NH2 2.99Å; D613-R617 PolarHBondContact OD2-NH2 3.38Å; D613-F689 HydrophobicContact CB-CE2 4.49Å; D613-F689 HydrophobicContact CB-CZ 4.24Å; D613-F689 WeakPolarHBondContact OD2-CE2 3.5Å
614	S	69.6	Low	68.7	Low	17 Å²	17	33.9 Å²	33.9	12%	0.119	18%	0.176	C	C	.	.	H	α-helix	trans	-60.8	-42	175	79.3	0	0	0	0	111.8	V610 F611 I616 R617 Q618	V610-S614 PolarHBondContact O-N 3.41Å; F611-S614 PolarHBondContact O-OG 3.12Å; F611-S614 VanDerWaalsContact O-OG 3.06Å; S614-I616 PolarHBondContact O-N 2.77Å; S614-R617 PolarHBondContact O-N 3.06Å; S614-Q618 PolarHBondContact O-N 2.84Å
615	L	66.5	Low	67.3	Low	14 Å²	14	35.8 Å²	35.8	7%	0.073	19%	0.187	C	C	.	.	H	α-helix	trans	-56.9	-45.4	172.1	171.3	67	0	0	0	112.2	N274 R310 F611 K612 D613 N619	N274-L615 VanDerWaalsContact O-CD2 3.3Å; N274-L615 WeakPolarHBondContact O-CD2 3.45Å; R310-L615 VanDerWaalsContact NH1-CD1 3.33Å; F611-L615 WeakPolarHBondContact O-CB 3.3Å; F611-L615 PolarHBondContact O-N 3.29Å; K612-L615 WeakPolarHBondContact O-CB 3.33Å; D613-L615 VanDerWaalsContact C-N 3.31Å; D613-L615 PolarHBondContact O-N 3.15Å; L615-N619 WeakPolarHBondContact CD1-ND2 3.28Å; L615-N619 WeakPolarHBondContact O-CB 3.37Å; L615-N619 PolarHBondContact O-N 3.07Å; L615-N619 PolarHBondContact O-ND2 3.14Å
616	I	67.8	Low	65.9	Low	10 Å²	10	36.5 Å²	36.5	5%	0.051	19%	0.191	C	C	.	.	H	α-helix	trans	-65.4	-43.5	-179.5	-66.8	162.7	0	0	0	111	V272 K612 D613 S614 T620	V272-I616 HydrophobicContact CB-CG1 4.13Å; V272-I616 HydrophobicContact CB-CG2 4.48Å; V272-I616 HydrophobicContact CG1-CG1 4.29Å; V272-I616 WeakPolarHBondContact O-CD1 3.36Å; K612-I616 WeakPolarHBondContact O-CD1 3.45Å; K612-I616 VanDerWaalsContact O-CG1 3.25Å; K612-I616 WeakPolarHBondContact O-CG1 3.32Å; K612-I616 PolarHBondContact O-N 3.45Å; D613-I616 PolarHBondContact O-N 3.08Å; D613-I616 VanDerWaalsContact O-N 3.16Å; S614-I616 PolarHBondContact O-N 2.77Å; I616-T620 PolarHBondContact O-N 3.47Å; I616-T620 PolarHBondContact O-OG1 3.41Å
617	R	70.1	Confident	64.2	Low	82 Å²	82	39.8 Å²	39.8	31%	0.309	21%	0.206	S	C	.	.	H	α-helix	trans	-63	-53.4	-178.5	-68.3	175.1	-168.7	-124.1	4.1	112.3	D613 S614 N619 T620	D613-R617 WeakPolarHBondContact O-CG 3.3Å; D613-R617 PolarHBondContact O-N 3.13Å; D613-R617 IonicContact OD1-NE 3.78Å; D613-R617 IonicContact OD2-CZ 2.73Å; D613-R617 IonicContact OD2-NE 3.2Å; D613-R617 PolarHBondContact OD2-NE 3.36Å; D613-R617 IonicContact OD2-NH2 2.99Å; D613-R617 PolarHBondContact OD2-NH2 3.38Å; S614-R617 PolarHBondContact O-N 3.06Å; R617-N619 VanDerWaalsContact C-N 3.35Å; R617-N619 PolarHBondContact O-N 2.83Å; R617-T620 PolarHBondContact O-N 3Å
618	Q	65.3	Low	63.2	Low	26 Å²	26	42.4 Å²	42.4	12%	0.121	22%	0.215	C	C	.	.	H	α-helix	trans	-59	-45.6	-178.8	-167	-171.8	31.8	0	0	111.5	S614 T620 G621 N625 P626	S614-Q618 PolarHBondContact O-N 2.84Å; Q618-T620 PolarHBondContact O-N 2.72Å; Q618-T620 VanDerWaalsContact O-N 3.15Å; Q618-G621 PolarHBondContact O-N 3.11Å; Q618-N625 PolarHBondContact NE2-OD1 3.02Å; Q618-P626 HydrophobicContact CB-CG 4.4Å
619	N	61	Low	62.1	Low	8 Å²	8	40.3 Å²	40.3	4%	0.043	21%	0.207	C	C	.	.	H	α-helix	trans	-67.6	-12.9	179.3	-65.8	-14.6	0	0	0	113.9	L276 M279 R310 L615 R617	L276-N619 HydrophobicContact CD2-CB 4.22Å; L276-N619 WeakPolarHBondContact CD2-ND2 3.28Å; M279-N619 HydrophobicContact CE-CB 3.9Å; M279-N619 WeakPolarHBondContact CE-O 3.44Å; R310-N619 PolarHBondContact NH2-ND2 2.64Å; R310-N619 PolarHBondContact NH2-OD1 2.71Å; L615-N619 WeakPolarHBondContact CD1-ND2 3.28Å; L615-N619 WeakPolarHBondContact O-CB 3.37Å; L615-N619 PolarHBondContact O-N 3.07Å; L615-N619 PolarHBondContact O-ND2 3.14Å; R617-N619 VanDerWaalsContact C-N 3.35Å; R617-N619 PolarHBondContact O-N 2.83Å
620	T	58.8	Low	61	Low	19 Å²	19	41 Å²	41	12%	0.117	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	6.5	175.8	-43.4	0	0	0	0	112.4	M330 F337 R339 I616 R617 Q618 D622	M330-T620 WeakPolarHBondContact CE-O 3.48Å; F337-T620 HydrophobicContact CE1-CG2 3.78Å; F337-T620 HydrophobicContact CZ-CG2 3.68Å; R339-T620 HydrophobicContact CB-CG2 4.21Å; R339-T620 HydrophobicContact CG-CG2 4.2Å; R339-T620 PolarHBondContact NH1-OG1 2.91Å; I616-T620 PolarHBondContact O-N 3.47Å; I616-T620 PolarHBondContact O-OG1 3.41Å; R617-T620 PolarHBondContact O-N 3Å; Q618-T620 PolarHBondContact O-N 2.72Å; Q618-T620 VanDerWaalsContact O-N 3.15Å; T620-D622 VanDerWaalsContact C-N 3.35Å; T620-D622 PolarHBondContact O-N 3Å
621	G	52.6	Low	60	Low	39 Å²	39	41.6 Å²	41.6	40%	0.402	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	28.1	177.7	0	0	0	0	0	114.6	Q618 T623	Q618-G621 PolarHBondContact O-N 3.11Å; G621-T623 PolarHBondContact O-N 3.13Å
622	D	53.7	Low	59.1	Low	74 Å²	74	43.5 Å²	43.5	40%	0.396	22%	0.22	S	C	.	.			trans	-62.4	125.7	155	-167.6	-14.9	0	0	0	107	T620 K624	T620-D622 VanDerWaalsContact C-N 3.35Å; T620-D622 PolarHBondContact O-N 3Å; D622-K624 PolarHBondContact O-N 2.95Å
623	T	45.8	Very low	58.5	Low	128 Å²	128	47.1 Å²	47.1	79%	0.785	24%	0.237	S	C	*	.	S	Bend	trans	-71.5	-2.8	-171.6	58.9	0	0	0	0	113.1	G621	G621-T623 PolarHBondContact O-N 3.13Å
624	K	52.9	Low	57.7	Low	67 Å²	67	48.9 Å²	48.9	29%	0.291	25%	0.245	S	C	.	.	S	Bend	trans	-89.6	102.9	178.1	-62.5	-177.1	131.2	-75.1	0	109.6	D622 P626 S690 D692	D622-K624 PolarHBondContact O-N 2.95Å; K624-P626 WeakPolarHBondContact O-CD 3.31Å; K624-P626 VanDerWaalsContact O-N 3.12Å; K624-S690 PolarHBondContact NZ-O 2.9Å; K624-D692 VanDerWaalsContact CB-OD1 3.26Å; K624-D692 WeakPolarHBondContact CB-OD1 3.16Å; K624-D692 VanDerWaalsContact CG-OD1 3.25Å; K624-D692 WeakPolarHBondContact CG-OD1 3.49Å; K624-D692 IonicContact NZ-OD1 2.94Å; K624-D692 PolarHBondContact NZ-OD1 2.96Å; K624-D692 IonicContact NZ-OD2 3.16Å; K624-D692 PolarHBondContact NZ-OD2 3.12Å
625	N	51.7	Low	56.9	Low	50 Å²	50	49.4 Å²	49.4	27%	0.267	25%	0.246	S	C	.	.			trans	-63.4	109.4	168.8	-89.9	-29.3	0	0	0	108.7	Q618	Q618-N625 PolarHBondContact NE2-OD1 3.02Å
626	P	52.6	Low	56.4	Low	15 Å²	15	54.8 Å²	54.8	10%	0.097	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-72.6	142.9	-167.7	28.4	-33.5	0	0	0	111.6	Q618 K624 R628 F689	Q618-P626 HydrophobicContact CB-CG 4.4Å; K624-P626 WeakPolarHBondContact O-CD 3.31Å; K624-P626 VanDerWaalsContact O-N 3.12Å; P626-R628 PolarHBondContact O-N 2.82Å; P626-F689 HydrophobicContact CB-CD1 3.73Å; P626-F689 HydrophobicContact CB-CE1 4.32Å
627	F	48.7	Very low	56.2	Low	71 Å²	71	59 Å²	59	31%	0.311	29%	0.289	S	S	.	.			trans	-57.9	135.4	180	-168.3	-89.6	0	0	0	112.2	Y629 V693	F627-Y629 HydrophobicContact CB-CE2 4.16Å; F627-Y629 AromaticContact CD1-CD1 3.93Å; F627-Y629 HydrophobicContact CD1-CD1 3.93Å; F627-Y629 HydrophobicContact CD1-CD2 4.25Å; F627-Y629 AromaticContact CD1-CE1 3.84Å; F627-Y629 HydrophobicContact CD1-CE1 3.84Å; F627-Y629 HydrophobicContact CD1-CE2 4.17Å; F627-Y629 HydrophobicContact CD1-CG 4.13Å; F627-Y629 AromaticContact CD1-CZ 3.97Å; F627-Y629 HydrophobicContact CE1-CD1 4.31Å; F627-Y629 HydrophobicContact CE1-CE1 4.45Å; F627-Y629 WeakPolarHBondContact O-CD2 3.39Å; F627-Y629 WeakPolarHBondContact O-CE2 3.2Å; F627-Y629 PolarHBondContact O-N 3.42Å; F627-V693 HydrophobicContact CD2-CG2 4Å
628	R	57.7	Low	55.7	Low	79 Å²	79	55.8 Å²	55.8	30%	0.298	28%	0.277	S	S	.	.			trans	-94.2	96.5	-174.3	-58.5	-179.7	-167.6	-166.2	0.3	110.8	A309 R310 E311 P626	A309-R628 PolarHBondContact O-NH1 3.08Å; A309-R628 PolarHBondContact O-NH2 2.8Å; R310-R628 PolarHBondContact O-NH1 2.92Å; E311-R628 PolarHBondContact O-NH1 3.12Å; P626-R628 PolarHBondContact O-N 2.82Å
629	Y	53.7	Low	55.3	Low	10 Å²	10	55.7 Å²	55.7	4%	0.039	28%	0.276	C	S	.	.			trans	-72.7	-35.1	-172.9	-67.1	-85.5	0	0	0	114.8	V610 F627 L653 L656 H657 M688	V610-Y629 HydrophobicContact CG1-CD2 3.95Å; V610-Y629 HydrophobicContact CG1-CE2 4.43Å; F627-Y629 HydrophobicContact CB-CE2 4.16Å; F627-Y629 AromaticContact CD1-CD1 3.93Å; F627-Y629 HydrophobicContact CD1-CD1 3.93Å; F627-Y629 HydrophobicContact CD1-CD2 4.25Å; F627-Y629 AromaticContact CD1-CE1 3.84Å; F627-Y629 HydrophobicContact CD1-CE1 3.84Å; F627-Y629 HydrophobicContact CD1-CE2 4.17Å; F627-Y629 HydrophobicContact CD1-CG 4.13Å; F627-Y629 AromaticContact CD1-CZ 3.97Å; F627-Y629 HydrophobicContact CE1-CD1 4.31Å; F627-Y629 HydrophobicContact CE1-CE1 4.45Å; F627-Y629 WeakPolarHBondContact O-CD2 3.39Å; F627-Y629 WeakPolarHBondContact O-CE2 3.2Å; F627-Y629 PolarHBondContact O-N 3.42Å; Y629-L653 HydrophobicContact CD1-CD2 4.16Å; Y629-L653 HydrophobicContact CE1-CD2 3.76Å; Y629-L656 HydrophobicContact CD1-CD1 4.4Å; Y629-L656 HydrophobicContact CE1-CD1 3.77Å; Y629-H657 PolarHBondContact OH-NE2 2.96Å; Y629-M688 HydrophobicContact CD2-CE 4.21Å; Y629-M688 HydrophobicContact CE1-CE 4.32Å; Y629-M688 HydrophobicContact CE2-CE 3.9Å; Y629-M688 VanDerWaalsContact CE2-O 3.31Å; Y629-M688 WeakPolarHBondContact CE2-O 3.48Å; Y629-M688 PolarHBondContact OH-O 2.88Å
630	F	56.8	Low	55.3	Low	17 Å²	17	58.4 Å²	58.4	8%	0.075	29%	0.294	C	S	.	.			trans	-136.4	159.4	-164.7	-49.1	-61.8	0	0	0	114.7	R607 V610 E634 T649	R607-F630 HydrophobicContact CB-CD2 3.87Å; R607-F630 HydrophobicContact CB-CE2 3.73Å; R607-F630 HydrophobicContact CB-CG 4.39Å; R607-F630 HydrophobicContact CB-CZ 4.13Å; R607-F630 HydrophobicContact CG-CD1 4.36Å; R607-F630 HydrophobicContact CG-CD2 4.22Å; R607-F630 HydrophobicContact CG-CE1 3.92Å; R607-F630 HydrophobicContact CG-CE2 3.76Å; R607-F630 HydrophobicContact CG-CZ 3.61Å; V610-F630 HydrophobicContact CG1-CE2 4.5Å; F630-E634 WeakPolarHBondContact CA-OE2 3.11Å; F630-T649 HydrophobicContact CZ-CG2 4.18Å
631	S	56.9	Low	55.5	Low	16 Å²	16	59.6 Å²	59.6	11%	0.112	30%	0.299	C	S	.	.			trans	-103.1	160.5	175.3	76	0	0	0	0	114.2	Q633 E634 L635	S631-Q633 PolarHBondContact O-N 2.82Å; S631-Q633 PolarHBondContact OG-N 2.71Å; S631-E634 WeakPolarHBondContact CB-OE1 3.45Å; S631-E634 VanDerWaalsContact N-CD 3.31Å; S631-E634 PolarHBondContact N-OE2 2.77Å; S631-E634 WeakPolarHBondContact O-CB 3.49Å; S631-E634 PolarHBondContact O-N 2.78Å; S631-E634 VanDerWaalsContact OG-CG 3.24Å; S631-E634 WeakPolarHBondContact OG-CG 3.5Å; S631-E634 PolarHBondContact OG-N 3.44Å; S631-E634 PolarHBondContact OG-OE1 2.66Å; S631-L635 VanDerWaalsContact O-CG 3.32Å; S631-L635 WeakPolarHBondContact O-CG 3.48Å; S631-L635 PolarHBondContact O-N 2.79Å
632	R	54.3	Low	56.1	Low	107 Å²	107	60 Å²	60	40%	0.404	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-19.4	177.1	-172.3	166.8	175.8	-169.5	-3.3	113.8	E311 N869	E311-R632 WeakPolarHBondContact OE1-CD 3.37Å; E311-R632 IonicContact OE1-CZ 3.86Å; E311-R632 IonicContact OE1-NE 2.74Å; E311-R632 IonicContact OE1-NH1 3.72Å; E311-R632 PolarHBondContact OE1-NH1 3.14Å; R632-N869 PolarHBondContact NH2-OD1 2.83Å
633	Q	58.7	Low	56.8	Low	110 Å²	110	60.1 Å²	60.1	51%	0.514	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-44.2	173.4	-169.3	65.1	17	0	0	111.1	S631 L635 K636	S631-Q633 PolarHBondContact O-N 2.82Å; S631-Q633 PolarHBondContact OG-N 2.71Å; Q633-L635 PolarHBondContact O-N 2.82Å; Q633-K636 WeakPolarHBondContact O-CB 3.44Å; Q633-K636 PolarHBondContact O-N 2.88Å; Q633-K636 VanDerWaalsContact OE1-NZ 3.1Å
634	E	56.6	Low	57.8	Low	67 Å²	67	54.1 Å²	54.1	31%	0.313	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-34.6	170.1	-67.2	148.4	-133.5	0	0	111.3	K312 F630 S631 K636 E637	K312-E634 IonicContact NZ-OE1 2.61Å; K312-E634 PolarHBondContact NZ-OE1 2.73Å; K312-E634 IonicContact NZ-OE2 3.64Å; K312-E634 PolarHBondContact NZ-OE2 3.02Å; F630-E634 WeakPolarHBondContact CA-OE2 3.11Å; S631-E634 WeakPolarHBondContact CB-OE1 3.45Å; S631-E634 VanDerWaalsContact N-CD 3.31Å; S631-E634 PolarHBondContact N-OE2 2.77Å; S631-E634 WeakPolarHBondContact O-CB 3.49Å; S631-E634 PolarHBondContact O-N 2.78Å; S631-E634 VanDerWaalsContact OG-CG 3.24Å; S631-E634 WeakPolarHBondContact OG-CG 3.5Å; S631-E634 PolarHBondContact OG-N 3.44Å; S631-E634 PolarHBondContact OG-OE1 2.66Å; E634-K636 VanDerWaalsContact C-N 3.34Å; E634-K636 PolarHBondContact O-N 3.43Å; E634-E637 PolarHBondContact O-N 2.98Å
635	L	53.4	Low	58.3	Low	28 Å²	28	57.6 Å²	57.6	15%	0.147	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-11	176.2	-66.9	-179.6	0	0	0	115.5	R608 S631 Q633	R608-L635 HydrophobicContact CG-CD2 3.72Å; R608-L635 PolarHBondContact NH2-O 2.82Å; S631-L635 VanDerWaalsContact O-CG 3.32Å; S631-L635 WeakPolarHBondContact O-CG 3.48Å; S631-L635 PolarHBondContact O-N 2.79Å; Q633-L635 PolarHBondContact O-N 2.82Å
636	K	56	Low	59.3	Low	128 Å²	128	57.4 Å²	57.4	56%	0.557	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-22.4	172.6	-73.2	173.7	-170.3	167.2	0	112.7	Q633 E634 L638	Q633-K636 WeakPolarHBondContact O-CB 3.44Å; Q633-K636 PolarHBondContact O-N 2.88Å; Q633-K636 VanDerWaalsContact OE1-NZ 3.1Å; E634-K636 VanDerWaalsContact C-N 3.34Å; E634-K636 PolarHBondContact O-N 3.43Å; K636-L638 PolarHBondContact O-N 2.84Å
637	E	63.1	Low	60.4	Low	99 Å²	99	56.7 Å²	56.7	46%	0.463	26%	0.263	S	S	.	.			trans	-75.2	44.8	-179.9	-64.6	178.9	-155.5	0	0	112.4	K604 E634 F639 T640	K604-E637 WeakPolarHBondContact CD-O 3.49Å; K604-E637 WeakPolarHBondContact CE-O 3.3Å; K604-E637 PolarHBondContact NZ-O 3.1Å; E634-E637 PolarHBondContact O-N 2.98Å; E637-F639 VanDerWaalsContact C-N 3.28Å; E637-F639 PolarHBondContact O-N 3.5Å; E637-T640 PolarHBondContact O-OG1 2.83Å
638	L	59.2	Low	61.5	Low	13 Å²	13	56 Å²	56	7%	0.068	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-36.7	-176.5	-84.8	165.6	0	0	0	112.7	L419 W569 K604 K636	L419-L638 HydrophobicContact CD1-CD1 4.26Å; L419-L638 HydrophobicContact CD2-CB 4.35Å; W569-L638 HydrophobicContact CH2-CD2 4.29Å; K604-L638 HydrophobicContact CB-CD2 4.22Å; K604-L638 WeakPolarHBondContact CD-O 3.4Å; K604-L638 PolarHBondContact NZ-O 3.13Å; K604-L638 VanDerWaalsContact NZ-O 3.13Å; K636-L638 PolarHBondContact O-N 2.84Å
639	F	57	Low	62.3	Low	24 Å²	24	52.2 Å²	52.2	11%	0.105	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	0.9	-164.3	-60.4	-94.4	0	0	0	115.7	L409 P415 E418 L419 L422 E637	L409-F639 HydrophobicContact CD1-CB 3.95Å; L409-F639 HydrophobicContact CD1-CG 4.4Å; L409-F639 HydrophobicContact CD2-CB 3.72Å; L409-F639 HydrophobicContact CD2-CD1 3.99Å; L409-F639 HydrophobicContact CD2-CD2 3.22Å; L409-F639 HydrophobicContact CD2-CE1 4.4Å; L409-F639 HydrophobicContact CD2-CE2 3.73Å; L409-F639 HydrophobicContact CD2-CG 3.37Å; L409-F639 HydrophobicContact CD2-CZ 4.28Å; L409-F639 HydrophobicContact CG-CB 4.5Å; L409-F639 HydrophobicContact CG-CG 4.45Å; P415-F639 HydrophobicContact CB-CE1 4.38Å; P415-F639 HydrophobicContact CB-CE2 4.27Å; P415-F639 HydrophobicContact CB-CZ 3.63Å; P415-F639 HydrophobicContact CG-CE2 4.08Å; P415-F639 HydrophobicContact CG-CZ 3.79Å; E418-F639 HydrophobicContact CB-CE1 4.43Å; L419-F639 HydrophobicContact CD1-CE1 4.35Å; L419-F639 HydrophobicContact CD1-CE2 4.37Å; L419-F639 HydrophobicContact CD1-CZ 3.68Å; L419-F639 HydrophobicContact CD2-CD1 4.18Å; L419-F639 HydrophobicContact CD2-CE1 3.53Å; L419-F639 HydrophobicContact CD2-CE2 4.23Å; L419-F639 HydrophobicContact CD2-CZ 3.55Å; L419-F639 HydrophobicContact CG-CE1 3.57Å; L419-F639 HydrophobicContact CG-CE2 4.39Å; L419-F639 HydrophobicContact CG-CZ 3.41Å; L419-F639 VanDerWaalsContact CG-CZ 3.41Å; L422-F639 HydrophobicContact CD1-CD1 4.22Å; E637-F639 VanDerWaalsContact C-N 3.28Å; E637-F639 PolarHBondContact O-N 3.5Å
640	T	61.5	Low	63.6	Low	66 Å²	66	52 Å²	52	41%	0.405	25%	0.253	S	S	.	.			trans	-71.1	130.2	171.6	46.8	0	0	0	0	110.7	K604 E637 E642	K604-T640 PolarHBondContact NZ-O 2.98Å; K604-T640 PolarHBondContact NZ-OG1 3.44Å; E637-T640 PolarHBondContact O-OG1 2.83Å; T640-E642 PolarHBondContact O-N 3.25Å
641	L	62.5	Low	64.6	Low	43 Å²	43	56 Å²	56	23%	0.225	27%	0.274	C	S	.	.			trans	-79	108.2	165.5	176.9	58	0	0	0	108	Y396 R397 I400	Y396-L641 HydrophobicContact CD1-CD1 3.97Å; Y396-L641 HydrophobicContact CD1-CD2 4.08Å; Y396-L641 HydrophobicContact CD1-CG 4.42Å; Y396-L641 HydrophobicContact CE1-CB 4.19Å; Y396-L641 HydrophobicContact CE1-CD1 3.73Å; Y396-L641 HydrophobicContact CE1-CD2 4.48Å; Y396-L641 HydrophobicContact CE1-CG 4.34Å; R397-L641 HydrophobicContact CG-CD2 3.64Å; I400-L641 HydrophobicContact CD1-CB 4.2Å
642	E	65.3	Low	65.4	Low	49 Å²	49	58.6 Å²	58.6	23%	0.229	28%	0.284	C	S	.	.			trans	-70.6	172.3	163.6	-73.5	175	-123.5	0	0	108.7	G599 R607 T640 P644 S648	G599-E642 PolarHBondContact O-N 3.2Å; R607-E642 IonicContact CZ-OE1 2.7Å; R607-E642 VanDerWaalsContact CZ-OE1 3.3Å; R607-E642 IonicContact CZ-OE2 2.64Å; R607-E642 IonicContact NH1-OE1 3.5Å; R607-E642 PolarHBondContact NH1-OE1 3.33Å; R607-E642 VanDerWaalsContact NH2-CD 3.3Å; R607-E642 IonicContact NH2-OE1 3.9Å; R607-E642 PolarHBondContact NH2-OE1 3.4Å; R607-E642 IonicContact NH2-OE2 2.82Å; R607-E642 PolarHBondContact NH2-OE2 2.65Å; T640-E642 PolarHBondContact O-N 3.25Å; E642-P644 VanDerWaalsContact O-CD 3.27Å; E642-P644 WeakPolarHBondContact O-CD 3.26Å; E642-P644 VanDerWaalsContact O-N 3.15Å; E642-S648 PolarHBondContact OE2-OG 3.05Å
643	D	68.5	Low	66.4	Low	75 Å²	75	53.7 Å²	53.7	40%	0.401	27%	0.266	S	S	.	.			trans	-61.8	117	-178.8	168.4	34.3	0	0	0	111.4	R645 S646	D643-R645 PolarHBondContact O-N 3.3Å; D643-R645 PolarHBondContact OD1-N 3.29Å; D643-S646 PolarHBondContact O-N 3.24Å; D643-S646 WeakPolarHBondContact OD2-CB 3.18Å; D643-S646 PolarHBondContact OD2-N 3.45Å; D643-S646 VanDerWaalsContact OD2-N 3.14Å; D643-S646 PolarHBondContact OD2-OG 2.94Å
644	P	66.1	Low	67.2	Low	3 Å²	3	53.2 Å²	53.2	2%	0.019	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-4.7	-179	28.6	-35.1	0	0	0	113.6	L388 E393 E642	L388-P644 HydrophobicContact CB-CB 4.37Å; E393-P644 HydrophobicContact CG-CG 4.06Å; E393-P644 WeakPolarHBondContact OE1-CG 3.49Å; E642-P644 VanDerWaalsContact O-CD 3.27Å; E642-P644 WeakPolarHBondContact O-CD 3.26Å; E642-P644 VanDerWaalsContact O-N 3.15Å
645	R	65.1	Low	67.9	Low	140 Å²	140	53.1 Å²	53.1	53%	0.528	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-2.1	173.9	-64	-179.3	-178.3	69.8	15.6	114	E393 D643 F680	E393-R645 IonicContact OE1-NH1 3.18Å; E393-R645 PolarHBondContact OE1-NH1 2.99Å; E393-R645 IonicContact OE2-CZ 3.52Å; E393-R645 VanDerWaalsContact OE2-CZ 3.31Å; E393-R645 IonicContact OE2-NH1 2.73Å; E393-R645 PolarHBondContact OE2-NH1 2.97Å; E393-R645 VanDerWaalsContact OE2-NH1 3.08Å; E393-R645 IonicContact OE2-NH2 2.71Å; E393-R645 PolarHBondContact OE2-NH2 3.4Å; D643-R645 PolarHBondContact O-N 3.3Å; D643-R645 PolarHBondContact OD1-N 3.29Å; R645-F680 WeakPolarHBondContact O-CD2 3.46Å; R645-F680 VanDerWaalsContact O-CE2 3.25Å; R645-F680 WeakPolarHBondContact O-CE2 2.97Å
646	S	72.3	Confident	68.6	Low	45 Å²	45	54.8 Å²	54.8	32%	0.315	29%	0.29	S	S	.	.			trans	-146.7	131.1	174.1	59.8	0	0	0	0	114	D643	D643-S646 PolarHBondContact O-N 3.24Å; D643-S646 WeakPolarHBondContact OD2-CB 3.18Å; D643-S646 PolarHBondContact OD2-N 3.45Å; D643-S646 VanDerWaalsContact OD2-N 3.14Å; D643-S646 PolarHBondContact OD2-OG 2.94Å
647	S	74.4	Confident	69.2	Low	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.264	C	S	.	.			trans	-98.2	116.9	175.3	174.4	0	0	0	0	111	W385 E603 T649 Q650 L651 F680	W385-S647 VanDerWaalsContact CZ3-OG 3.31Å; W385-S647 WeakPolarHBondContact CZ3-OG 3.23Å; E603-S647 PolarHBondContact OE1-OG 3.06Å; E603-S647 VanDerWaalsContact OE2-CB 3.24Å; E603-S647 WeakPolarHBondContact OE2-CB 3.13Å; E603-S647 PolarHBondContact OE2-OG 2.79Å; S647-T649 VanDerWaalsContact C-N 3.29Å; S647-T649 PolarHBondContact O-N 3.47Å; S647-T649 PolarHBondContact OG-N 2.8Å; S647-Q650 PolarHBondContact O-N 3.25Å; S647-Q650 PolarHBondContact OG-N 2.68Å; S647-Q650 VanDerWaalsContact OG-N 3.1Å; S647-L651 PolarHBondContact O-N 2.91Å; S647-F680 VanDerWaalsContact N-CE1 3.29Å
648	S	72.1	Confident	69.1	Low	56 Å²	56	47.8 Å²	47.8	39%	0.392	27%	0.267	S	S	.	.	H	α-helix	trans	-64.6	-35.4	174.4	58.4	0	0	0	0	111.5	R607 E642 Q652	R607-S648 PolarHBondContact NH2-OG 3.07Å; E642-S648 PolarHBondContact OE2-OG 3.05Å; S648-Q652 PolarHBondContact O-N 3.47Å
649	T	75.1	Confident	69.1	Low	1 Å²	1	58.6 Å²	58.6	1%	0.006	31%	0.307	C	S	.	.	H	α-helix	trans	-65.6	-47	174.7	-49.2	0	0	0	0	111.6	W385 E603 R607 F630 S647 L651 Q652 L653	W385-T649 HydrophobicContact CH2-CG2 3.94Å; W385-T649 HydrophobicContact CZ2-CG2 4.14Å; E603-T649 WeakPolarHBondContact CG-OG1 3.33Å; E603-T649 WeakPolarHBondContact OE1-CB 3.38Å; E603-T649 PolarHBondContact OE1-N 3.17Å; E603-T649 VanDerWaalsContact OE1-N 3.08Å; E603-T649 PolarHBondContact OE1-OG1 2.97Å; R607-T649 PolarHBondContact NE-OG1 3.44Å; R607-T649 PolarHBondContact NH2-OG1 2.87Å; F630-T649 HydrophobicContact CZ-CG2 4.18Å; S647-T649 VanDerWaalsContact C-N 3.29Å; S647-T649 PolarHBondContact O-N 3.47Å; S647-T649 PolarHBondContact OG-N 2.8Å; T649-L651 VanDerWaalsContact C-N 3.3Å; T649-L651 PolarHBondContact O-N 3.33Å; T649-Q652 PolarHBondContact O-N 3.27Å; T649-L653 HydrophobicContact CG2-CD1 4.03Å; T649-L653 HydrophobicContact CG2-CG 4.23Å; T649-L653 WeakPolarHBondContact O-CG 3.49Å; T649-L653 PolarHBondContact O-N 2.89Å
650	Q	80.2	Confident	69.2	Low	6 Å²	6	60.8 Å²	60.8	3%	0.028	32%	0.318	C	S	.	.	H	α-helix	trans	-56.3	-44.9	-179.5	-176.1	-77.8	-25.9	0	0	111.6	W385 S647 L653 Q654 F680	W385-Q650 HydrophobicContact CB-CG 4.48Å; W385-Q650 HydrophobicContact CD2-CB 3.85Å; W385-Q650 HydrophobicContact CD2-CG 4.18Å; W385-Q650 HydrophobicContact CG-CB 3.96Å; W385-Q650 HydrophobicContact CG-CG 3.76Å; W385-Q650 HydrophobicContact CZ2-CB 4.15Å; S647-Q650 PolarHBondContact O-N 3.25Å; S647-Q650 PolarHBondContact OG-N 2.68Å; S647-Q650 VanDerWaalsContact OG-N 3.1Å; Q650-L653 PolarHBondContact O-N 3.22Å; Q650-Q654 WeakPolarHBondContact O-CB 3.49Å; Q650-Q654 PolarHBondContact O-N 3.22Å; Q650-F680 HydrophobicContact CB-CD1 4.17Å; Q650-F680 HydrophobicContact CB-CE1 3.87Å; Q650-F680 HydrophobicContact CG-CD1 3.93Å; Q650-F680 HydrophobicContact CG-CE1 3.86Å; Q650-F680 VanDerWaalsContact OE1-CE1 3.31Å
651	L	77.6	Confident	69.6	Low	100 Å²	100	60.8 Å²	60.8	52%	0.524	31%	0.31	S	S	.	.	H	α-helix	trans	-65.8	-41.8	179.9	-68.6	171.3	0	0	0	111.7	S647 T649 Q654 G655	S647-L651 PolarHBondContact O-N 2.91Å; T649-L651 VanDerWaalsContact C-N 3.3Å; T649-L651 PolarHBondContact O-N 3.33Å; L651-Q654 PolarHBondContact O-N 3.07Å; L651-G655 PolarHBondContact O-N 3.42Å
652	Q	74.1	Confident	69.7	Low	70 Å²	70	68.6 Å²	68.6	33%	0.327	34%	0.337	S	S	.	.	H	α-helix	trans	-60.2	-45.4	174.4	-173.7	-176.6	5.4	0	0	111.4	S648 T649 G655 L656	S648-Q652 PolarHBondContact O-N 3.47Å; T649-Q652 PolarHBondContact O-N 3.27Å; Q652-G655 PolarHBondContact O-N 3.45Å; Q652-L656 HydrophobicContact CG-CD1 4.31Å; Q652-L656 WeakPolarHBondContact O-CG 3.42Å; Q652-L656 PolarHBondContact O-N 2.88Å
653	L	75.1	Confident	69.7	Low	5 Å²	5	69.1 Å²	69.1	3%	0.026	34%	0.343	C	S	.	.	H	α-helix	trans	-69.7	-39	179.7	-63.9	-175.9	0	0	0	112.5	I383 Y606 Y629 T649 Q650 L656 H657 M688	I383-L653 HydrophobicContact CD1-CD1 4.32Å; Y606-L653 HydrophobicContact CE1-CD1 4.42Å; Y629-L653 HydrophobicContact CD1-CD2 4.16Å; Y629-L653 HydrophobicContact CE1-CD2 3.76Å; T649-L653 HydrophobicContact CG2-CD1 4.03Å; T649-L653 HydrophobicContact CG2-CG 4.23Å; T649-L653 WeakPolarHBondContact O-CG 3.49Å; T649-L653 PolarHBondContact O-N 2.89Å; Q650-L653 PolarHBondContact O-N 3.22Å; L653-L656 PolarHBondContact O-N 3.24Å; L653-H657 WeakPolarHBondContact O-CB 3.24Å; L653-H657 PolarHBondContact O-N 2.99Å; L653-M688 HydrophobicContact CD1-CE 4.23Å; L653-M688 HydrophobicContact CD1-SD 3.56Å; L653-M688 VanDerWaalsContact CD1-SD 3.56Å; L653-M688 HydrophobicContact CD2-CE 3.71Å; L653-M688 HydrophobicContact CD2-SD 3.44Å; L653-M688 WeakPolarHBondContact CD2-SD 3.23Å; L653-M688 HydrophobicContact CG-SD 4.11Å
654	Q	76.4	Confident	69.9	Low	99 Å²	99	67.9 Å²	67.9	46%	0.463	34%	0.337	S	S	.	.	H	α-helix	trans	-65.8	-39.7	175.5	-169.3	174.3	13	0	0	111.4	Q650 L651 L656 S658	Q650-Q654 WeakPolarHBondContact O-CB 3.49Å; Q650-Q654 PolarHBondContact O-N 3.22Å; L651-Q654 PolarHBondContact O-N 3.07Å; Q654-L656 VanDerWaalsContact C-N 3.32Å; Q654-L656 PolarHBondContact O-N 2.87Å; Q654-S658 WeakPolarHBondContact O-CB 3.43Å; Q654-S658 PolarHBondContact O-N 3.03Å; Q654-S658 PolarHBondContact O-OG 3.06Å
655	G	70.8	Confident	70.4	Confident	65 Å²	65	73.1 Å²	73.1	67%	0.67	37%	0.371	S	S	*	.	H	α-helix	trans	-60.3	-38.5	175	0	0	0	0	0	113.5	L651 Q652	L651-G655 PolarHBondContact O-N 3.42Å; Q652-G655 PolarHBondContact O-N 3.45Å
656	L	67.5	Low	70.9	Confident	64 Å²	64	70.2 Å²	70.2	34%	0.335	38%	0.376	S	S	.	.	H	α-helix	trans	-82.4	-43.5	-179.1	-67.6	169.2	0	0	0	113.6	Y629 Q652 L653 Q654 L691	Y629-L656 HydrophobicContact CD1-CD1 4.4Å; Y629-L656 HydrophobicContact CE1-CD1 3.77Å; Q652-L656 HydrophobicContact CG-CD1 4.31Å; Q652-L656 WeakPolarHBondContact O-CG 3.42Å; Q652-L656 PolarHBondContact O-N 2.88Å; L653-L656 PolarHBondContact O-N 3.24Å; Q654-L656 VanDerWaalsContact C-N 3.32Å; Q654-L656 PolarHBondContact O-N 2.87Å; L656-L691 HydrophobicContact CB-CD1 4.37Å; L656-L691 HydrophobicContact CD2-CD1 4.49Å
657	H	69	Low	71.2	Confident	4 Å²	4	68.8 Å²	68.8	2%	0.019	37%	0.365	C	S	.	.	H	α-helix	trans	-111.7	-6.8	-162.8	-65.5	-58	0	0	0	115.8	Y629 L653 R659 Q660 L687	Y629-H657 PolarHBondContact OH-NE2 2.96Å; L653-H657 WeakPolarHBondContact O-CB 3.24Å; L653-H657 PolarHBondContact O-N 2.99Å; H657-R659 PolarHBondContact O-N 2.91Å; H657-Q660 PolarHBondContact O-N 3.39Å; H657-L687 HydrophobicContact CB-CB 4.11Å; H657-L687 HydrophobicContact CB-CD1 4.1Å; H657-L687 PolarHBondContact CE1-O 3.26Å; H657-L687 PolarHBondContact ND1-O 3.39Å; H657-L687 PolarHBondContact NE2-O 3.32Å
658	S	62.3	Low	71.5	Confident	75 Å²	75	71.9 Å²	71.9	52%	0.524	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-21.8	-176.1	47.6	0	0	0	0	116.3	Q654	Q654-S658 WeakPolarHBondContact O-CB 3.43Å; Q654-S658 PolarHBondContact O-N 3.03Å; Q654-S658 PolarHBondContact O-OG 3.06Å
659	R	57.4	Low	71.9	Confident	240 Å²	240	74.9 Å²	74.9	91%	0.906	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-1.4	-179.9	-61	-176.2	-178.6	-179.3	0.7	114.8	H657	H657-R659 PolarHBondContact O-N 2.91Å
660	Q	61.1	Low	72.2	Confident	70 Å²	70	75.2 Å²	75.2	33%	0.327	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-5.6	-174.6	-65.1	-174.7	37.8	0	0	113.8	H657 R662 L687 S690 L691	H657-Q660 PolarHBondContact O-N 3.39Å; Q660-R662 PolarHBondContact O-N 3.09Å; Q660-R662 VanDerWaalsContact O-N 3.11Å; Q660-L687 HydrophobicContact CB-CD1 3.92Å; Q660-L687 HydrophobicContact CB-CD2 4.16Å; Q660-S690 PolarHBondContact OE1-OG 3.46Å; Q660-L691 VanDerWaalsContact NE2-CD2 3.28Å
661	R	68.5	Low	72.4	Confident	66 Å²	66	75.3 Å²	75.3	25%	0.249	39%	0.392	C	S	.	.			trans	-60.8	114.3	174.1	-175.2	-175.9	-69.3	162.4	3.9	109.6	T663 D684 L687	R661-T663 HydrophobicContact CB-CG2 4.44Å; R661-T663 HydrophobicContact CG-CG2 3.64Å; R661-D684 WeakPolarHBondContact CG-OD1 3.39Å; R661-D684 IonicContact CZ-OD1 3.82Å; R661-D684 IonicContact CZ-OD2 3.96Å; R661-D684 VanDerWaalsContact CZ-OD2 3.28Å; R661-D684 VanDerWaalsContact NE-CG 3.3Å; R661-D684 IonicContact NE-OD1 3.42Å; R661-D684 PolarHBondContact NE-OD1 2.83Å; R661-D684 IonicContact NE-OD2 3.23Å; R661-D684 PolarHBondContact NE-OD2 3.25Å; R661-D684 IonicContact NH2-OD1 3.04Å; R661-D684 IonicContact NH2-OD2 3.32Å; R661-D684 PolarHBondContact NH2-OD2 3.41Å; R661-L687 HydrophobicContact CB-CD1 4.4Å
662	R	64.3	Low	72.5	Confident	207 Å²	207	73.5 Å²	73.5	78%	0.781	39%	0.391	S	S	*	.			trans	-68.6	144	161.1	-62	177.2	180	-160.4	-5.5	107.3	R378 Q660	R378-R662 VanDerWaalsContact NH2-C 3.33Å; R378-R662 PolarHBondContact NH2-O 2.81Å; Q660-R662 PolarHBondContact O-N 3.09Å; Q660-R662 VanDerWaalsContact O-N 3.11Å
663	T	65.3	Low	72.7	Confident	60 Å²	60	72.4 Å²	72.4	37%	0.368	39%	0.386	S	S	.	.			trans	-139.3	158.3	179.1	66.9	0	0	0	0	111.4	R661 D668	R661-T663 HydrophobicContact CB-CG2 4.44Å; R661-T663 HydrophobicContact CG-CG2 3.64Å; T663-D668 VanDerWaalsContact CB-CG 3.4Å; T663-D668 WeakPolarHBondContact CB-OD1 3.35Å; T663-D668 WeakPolarHBondContact CB-OD2 3.3Å; T663-D668 WeakPolarHBondContact CG2-OD1 3.32Å; T663-D668 PolarHBondContact OG1-OD2 2.63Å
664	D	73.9	Confident	73	Confident	49 Å²	49	72.1 Å²	72.1	26%	0.262	39%	0.385	S	S	.	.			trans	-121.3	144.7	172	-47.7	-31.7	0	0	0	105.4	R378 N589 A666 L667 D668	R378-D664 IonicContact CZ-OD1 3.96Å; R378-D664 IonicContact NH1-OD1 3.57Å; R378-D664 PolarHBondContact NH1-OD1 3.47Å; R378-D664 IonicContact NH1-OD2 3.51Å; N589-D664 PolarHBondContact ND2-OD2 3.41Å; D664-A666 VanDerWaalsContact C-N 3.28Å; D664-A666 PolarHBondContact O-N 2.93Å; D664-A666 VanDerWaalsContact O-N 3.12Å; D664-L667 HydrophobicContact CB-CB 4.19Å; D664-L667 WeakPolarHBondContact O-CA 3.39Å; D664-L667 VanDerWaalsContact O-CB 3.3Å; D664-L667 WeakPolarHBondContact O-CB 3.32Å; D664-L667 PolarHBondContact O-N 2.96Å; D664-D668 PolarHBondContact O-N 3.46Å
665	P	75.4	Confident	73.1	Confident	114 Å²	114	72.3 Å²	72.3	74%	0.74	39%	0.385	S	S	*	.	H	α-helix	trans	-55.7	-37.7	-172.5	-29.8	36.3	0	0	0	115.1	L667 D668 E669	P665-L667 VanDerWaalsContact C-N 3.34Å; P665-D668 PolarHBondContact O-N 3.19Å; P665-E669 PolarHBondContact O-N 3.13Å
666	A	75.4	Confident	73.4	Confident	78 Å²	78	73.5 Å²	73.5	65%	0.645	39%	0.389	S	S	*	.	H	α-helix	trans	-70.6	-27.8	174.9	0	0	0	0	0	113.3	D664 H670	D664-A666 VanDerWaalsContact C-N 3.28Å; D664-A666 PolarHBondContact O-N 2.93Å; D664-A666 VanDerWaalsContact O-N 3.12Å; A666-H670 VanDerWaalsContact O-CB 3.32Å; A666-H670 WeakPolarHBondContact O-CB 3.38Å; A666-H670 PolarHBondContact O-N 3.26Å; A666-H670 VanDerWaalsContact O-N 3.08Å
667	L	79.4	Confident	74	Confident	16 Å²	16	71.9 Å²	71.9	8%	0.084	38%	0.38	C	S	.	.	H	α-helix	trans	-74.1	-39	173.1	-175.2	72.1	0	0	0	110.8	N380 V591 D664 P665 H670 I671	N380-L667 WeakPolarHBondContact ND2-CD2 3.43Å; V591-L667 HydrophobicContact CG2-CD1 3.99Å; D664-L667 HydrophobicContact CB-CB 4.19Å; D664-L667 WeakPolarHBondContact O-CA 3.39Å; D664-L667 VanDerWaalsContact O-CB 3.3Å; D664-L667 WeakPolarHBondContact O-CB 3.32Å; D664-L667 PolarHBondContact O-N 2.96Å; P665-L667 VanDerWaalsContact C-N 3.34Å; L667-H670 PolarHBondContact O-N 2.85Å; L667-I671 HydrophobicContact CD1-CD1 4.34Å; L667-I671 HydrophobicContact CD2-CD1 4.39Å; L667-I671 HydrophobicContact CG-CD1 3.88Å; L667-I671 HydrophobicContact CG-CG1 4.5Å; L667-I671 VanDerWaalsContact O-CB 3.31Å; L667-I671 WeakPolarHBondContact O-CB 3.31Å; L667-I671 VanDerWaalsContact O-CG1 3.24Å; L667-I671 WeakPolarHBondContact O-CG1 3.35Å; L667-I671 PolarHBondContact O-N 2.85Å
668	D	80.1	Confident	74	Confident	64 Å²	64	79.1 Å²	79.1	34%	0.342	41%	0.414	S	S	.	.	H	α-helix	trans	-67.1	-41.3	175.6	-76.7	-34.7	0	0	0	112	T663 D664 P665 I671 A672	T663-D668 VanDerWaalsContact CB-CG 3.4Å; T663-D668 WeakPolarHBondContact CB-OD1 3.35Å; T663-D668 WeakPolarHBondContact CB-OD2 3.3Å; T663-D668 WeakPolarHBondContact CG2-OD1 3.32Å; T663-D668 PolarHBondContact OG1-OD2 2.63Å; D664-D668 PolarHBondContact O-N 3.46Å; P665-D668 PolarHBondContact O-N 3.19Å; D668-I671 PolarHBondContact O-N 3.22Å; D668-A672 WeakPolarHBondContact O-CB 3.19Å; D668-A672 PolarHBondContact O-N 3.46Å
669	E	81.8	Confident	74.8	Confident	119 Å²	119	76.3 Å²	76.3	56%	0.556	39%	0.392	S	S	*	.	H	α-helix	trans	-59	-50.4	171.4	176.2	170.4	-176.5	0	0	111.1	P665 I671 A672 Q673	P665-E669 PolarHBondContact O-N 3.13Å; E669-I671 PolarHBondContact O-N 3.17Å; E669-A672 PolarHBondContact O-N 3.03Å; E669-Q673 WeakPolarHBondContact O-CB 3.29Å; E669-Q673 WeakPolarHBondContact O-CG 3.13Å; E669-Q673 PolarHBondContact O-N 3.03Å; E669-Q673 PolarHBondContact OE1-NE2 2.83Å
670	H	81.8	Confident	75.5	Confident	8 Å²	8	67.1 Å²	67.1	4%	0.037	36%	0.359	C	S	.	.	H	α-helix	trans	-59.8	-43.8	176.9	-179.1	88.5	0	0	0	111.8	E486 Y593 A666 L667 Q673 L674	E486-H670 IonicContact OE1-CE1 2.67Å; E486-H670 IonicContact OE1-CG 3.26Å; E486-H670 IonicContact OE1-ND1 3.29Å; E486-H670 PolarHBondContact OE1-ND1 3.26Å; E486-H670 IonicContact OE2-CE1 3.3Å; E486-H670 PolarHBondContact OE2-CE1 3.36Å; E486-H670 IonicContact OE2-ND1 2.77Å; E486-H670 PolarHBondContact OE2-ND1 3.26Å; Y593-H670 AromaticContact CE1-NE2 3.66Å; Y593-H670 AromaticContact CZ-NE2 3.61Å; Y593-H670 PolarHBondContact OH-CE1 3.16Å; Y593-H670 PolarHBondContact OH-NE2 3.4Å; A666-H670 VanDerWaalsContact O-CB 3.32Å; A666-H670 WeakPolarHBondContact O-CB 3.38Å; A666-H670 PolarHBondContact O-N 3.26Å; A666-H670 VanDerWaalsContact O-N 3.08Å; L667-H670 PolarHBondContact O-N 2.85Å; H670-Q673 CarbonylContact O-C 3.49Å; H670-Q673 WeakPolarHBondContact O-CB 3.41Å; H670-Q673 PolarHBondContact O-N 2.96Å; H670-Q673 VanDerWaalsContact O-N 3.14Å; H670-L674 WeakPolarHBondContact O-CG 3.46Å; H670-L674 PolarHBondContact O-N 3.04Å
671	I	82.6	Confident	76.2	Confident	8 Å²	8	64 Å²	64	4%	0.041	35%	0.345	C	S	.	.	H	α-helix	trans	-63.9	-41.2	177.5	-76.1	170.8	0	0	0	111.9	L382 L667 D668 E669 Q673 L674 H675 I682	L382-I671 HydrophobicContact CD1-CD1 4.48Å; L382-I671 HydrophobicContact CD1-CG1 4.5Å; L667-I671 HydrophobicContact CD1-CD1 4.34Å; L667-I671 HydrophobicContact CD2-CD1 4.39Å; L667-I671 HydrophobicContact CG-CD1 3.88Å; L667-I671 HydrophobicContact CG-CG1 4.5Å; L667-I671 VanDerWaalsContact O-CB 3.31Å; L667-I671 WeakPolarHBondContact O-CB 3.31Å; L667-I671 VanDerWaalsContact O-CG1 3.24Å; L667-I671 WeakPolarHBondContact O-CG1 3.35Å; L667-I671 PolarHBondContact O-N 2.85Å; D668-I671 PolarHBondContact O-N 3.22Å; E669-I671 PolarHBondContact O-N 3.17Å; I671-Q673 PolarHBondContact O-N 3.5Å; I671-L674 WeakPolarHBondContact O-CB 3.2Å; I671-L674 PolarHBondContact O-N 2.92Å; I671-H675 PolarHBondContact O-CD2 2.65Å; I671-H675 VanDerWaalsContact O-CD2 3.25Å; I671-H675 PolarHBondContact O-N 2.8Å; I671-I682 HydrophobicContact CG2-CD1 4.3Å
672	A	80.8	Confident	77	Confident	62 Å²	62	61.2 Å²	61.2	51%	0.512	34%	0.335	S	S	.	.	H	α-helix	trans	-62.6	-34.6	174	0	0	0	0	0	111.8	D668 E669 H675 A676	D668-A672 WeakPolarHBondContact O-CB 3.19Å; D668-A672 PolarHBondContact O-N 3.46Å; E669-A672 PolarHBondContact O-N 3.03Å; A672-H675 PolarHBondContact O-N 3.38Å; A672-A676 PolarHBondContact O-N 3.17Å
673	Q	78.8	Confident	77.8	Confident	47 Å²	47	51.6 Å²	51.6	22%	0.22	30%	0.299	C	S	.	.	H	α-helix	trans	-75.2	-31.9	175.8	-66.1	163.9	2.5	0	0	112.7	R482 E669 H670 I671 A676	R482-Q673 VanDerWaalsContact CZ-OE1 3.23Å; E669-Q673 WeakPolarHBondContact O-CB 3.29Å; E669-Q673 WeakPolarHBondContact O-CG 3.13Å; E669-Q673 PolarHBondContact O-N 3.03Å; E669-Q673 PolarHBondContact OE1-NE2 2.83Å; H670-Q673 CarbonylContact O-C 3.49Å; H670-Q673 WeakPolarHBondContact O-CB 3.41Å; H670-Q673 PolarHBondContact O-N 2.96Å; H670-Q673 VanDerWaalsContact O-N 3.14Å; I671-Q673 PolarHBondContact O-N 3.5Å; Q673-A676 WeakPolarHBondContact O-CB 3.32Å; Q673-A676 PolarHBondContact O-N 3.29Å
674	L	81.5	Confident	78.6	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64	-40.5	168.7	-68.8	178.5	0	0	0	111.5	F475 L479 Y593 H670 I671 A676 M677 M679 I682	F475-L674 HydrophobicContact CZ-CD2 4.3Å; L479-L674 HydrophobicContact CD1-CD2 3.77Å; Y593-L674 HydrophobicContact CE1-CD1 4.02Å; H670-L674 WeakPolarHBondContact O-CG 3.46Å; H670-L674 PolarHBondContact O-N 3.04Å; I671-L674 WeakPolarHBondContact O-CB 3.2Å; I671-L674 PolarHBondContact O-N 2.92Å; L674-A676 PolarHBondContact O-N 2.89Å; L674-M677 HydrophobicContact CD2-CE 4.1Å; L674-M677 HydrophobicContact CD2-SD 4Å; L674-M677 VanDerWaalsContact O-CB 3.28Å; L674-M677 WeakPolarHBondContact O-CB 3.09Å; L674-M677 PolarHBondContact O-N 3.46Å; L674-M679 HydrophobicContact CB-CE 3.76Å; L674-M679 HydrophobicContact CB-SD 4.47Å; L674-M679 WeakPolarHBondContact O-CE 3.34Å; L674-I682 HydrophobicContact CB-CD1 3.83Å; L674-I682 HydrophobicContact CD1-CD1 3.79Å; L674-I682 HydrophobicContact CG-CD1 4.5Å
675	H	77.9	Confident	78.8	Confident	102 Å²	102	48.7 Å²	48.7	47%	0.472	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-13	173.8	-81.6	-67.8	0	0	0	114.2	I671 A672	I671-H675 PolarHBondContact O-CD2 2.65Å; I671-H675 VanDerWaalsContact O-CD2 3.25Å; I671-H675 PolarHBondContact O-N 2.8Å; A672-H675 PolarHBondContact O-N 3.38Å
676	A	77.8	Confident	78.7	Confident	90 Å²	90	46.6 Å²	46.6	74%	0.744	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-7.2	169.7	0	0	0	0	0	113.3	A672 Q673 L674	A672-A676 PolarHBondContact O-N 3.17Å; Q673-A676 WeakPolarHBondContact O-CB 3.32Å; Q673-A676 PolarHBondContact O-N 3.29Å; L674-A676 PolarHBondContact O-N 2.89Å
677	M	79.5	Confident	78.4	Confident	31 Å²	31	44.1 Å²	44.1	15%	0.153	24%	0.239	C	C	.	.	S	Bend	trans	-85.6	161.8	169.7	-53.8	-177.1	-178.9	0	0	110.4	F475 A478 R482 L674 M679	F475-M677 HydrophobicContact CD2-CB 4.17Å; F475-M677 HydrophobicContact CD2-SD 4.23Å; F475-M677 HydrophobicContact CE2-CB 3.93Å; F475-M677 HydrophobicContact CE2-CG 4.38Å; F475-M677 HydrophobicContact CE2-SD 3.55Å; F475-M677 VanDerWaalsContact CE2-SD 3.55Å; F475-M677 HydrophobicContact CZ-SD 4.21Å; A478-M677 HydrophobicContact CB-SD 4.21Å; R482-M677 HydrophobicContact CB-CE 4.17Å; L674-M677 HydrophobicContact CD2-CE 4.1Å; L674-M677 HydrophobicContact CD2-SD 4Å; L674-M677 VanDerWaalsContact O-CB 3.28Å; L674-M677 WeakPolarHBondContact O-CB 3.09Å; L674-M677 PolarHBondContact O-N 3.46Å; M677-M679 PolarHBondContact O-N 3.14Å
678	H	68.6	Low	77.7	Confident	156 Å²	156	43.5 Å²	43.5	72%	0.722	24%	0.236	S	C	*	.	S	Bend	trans	-77.2	63.6	-175	-164.4	-52.6	0	0	0	112.9	Y387	Y387-H678 AromaticContact CD2-CE1 3.62Å; Y387-H678 AromaticContact CD2-ND1 3.31Å; Y387-H678 VanDerWaalsContact CD2-ND1 3.31Å; Y387-H678 WeakPolarHBondContact CD2-ND1 3.18Å; Y387-H678 WeakPolarHBondContact CD2-O 3.47Å; Y387-H678 AromaticContact CE2-CE1 3.8Å; Y387-H678 AromaticContact CE2-ND1 3.56Å
679	M	78.5	Confident	76.9	Confident	16 Å²	16	41.3 Å²	41.3	8%	0.079	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	156.4	178	60.5	162.3	65.2	0	0	112.3	V384 F475 L674 M677 I682	V384-M679 HydrophobicContact CG1-CB 4.31Å; V384-M679 HydrophobicContact CG1-CE 3.53Å; V384-M679 HydrophobicContact CG1-SD 4.32Å; F475-M679 HydrophobicContact CD2-CE 4.34Å; F475-M679 HydrophobicContact CE2-CE 3.33Å; F475-M679 HydrophobicContact CZ-CE 3.54Å; L674-M679 HydrophobicContact CB-CE 3.76Å; L674-M679 HydrophobicContact CB-SD 4.47Å; L674-M679 WeakPolarHBondContact O-CE 3.34Å; M677-M679 PolarHBondContact O-N 3.14Å; M679-I682 HydrophobicContact CE-CD1 4.2Å; M679-I682 HydrophobicContact CE-CG1 4.2Å; M679-I682 HydrophobicContact SD-CD1 3.85Å; M679-I682 HydrophobicContact SD-CG1 3.52Å; M679-I682 VanDerWaalsContact SD-CG1 3.52Å
680	F	71.8	Confident	75.9	Confident	47 Å²	47	37.4 Å²	37.4	21%	0.206	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	-36.8	174.7	-179.5	-108.6	0	0	0	111.9	W385 Y387 R645 S647 Q650	W385-F680 HydrophobicContact CB-CB 4.01Å; W385-F680 HydrophobicContact CB-CD1 4.08Å; W385-F680 PolarHBondContact O-N 3.42Å; Y387-F680 HydrophobicContact CE1-CB 3.97Å; Y387-F680 AromaticContact CE1-CD2 3.93Å; Y387-F680 HydrophobicContact CE1-CD2 3.93Å; Y387-F680 HydrophobicContact CE1-CG 4.39Å; Y387-F680 HydrophobicContact CE2-CB 4.22Å; R645-F680 WeakPolarHBondContact O-CD2 3.46Å; R645-F680 VanDerWaalsContact O-CE2 3.25Å; R645-F680 WeakPolarHBondContact O-CE2 2.97Å; S647-F680 VanDerWaalsContact N-CE1 3.29Å; Q650-F680 HydrophobicContact CB-CD1 4.17Å; Q650-F680 HydrophobicContact CB-CE1 3.87Å; Q650-F680 HydrophobicContact CG-CD1 3.93Å; Q650-F680 HydrophobicContact CG-CE1 3.86Å; Q650-F680 VanDerWaalsContact OE1-CE1 3.31Å
681	G	77.6	Confident	74.7	Confident	3 Å²	3	39.8 Å²	39.8	3%	0.031	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.7	-177.8	176.7	0	0	0	0	0	113.9	W385	W385-G681 PolarHBondContact N-O 3.3Å
682	I	83.6	Confident	73.3	Confident	9 Å²	9	43.3 Å²	43.3	5%	0.046	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	135.4	179.5	-57.3	176.2	0	0	0	109.6	L382 I383 I671 L674 M679	L382-I682 HydrophobicContact CB-CG2 4.24Å; L382-I682 HydrophobicContact CD2-CG2 4.14Å; I383-I682 VanDerWaalsContact O-CA 3.31Å; I383-I682 WeakPolarHBondContact O-CA 2.87Å; I671-I682 HydrophobicContact CG2-CD1 4.3Å; L674-I682 HydrophobicContact CB-CD1 3.83Å; L674-I682 HydrophobicContact CD1-CD1 3.79Å; L674-I682 HydrophobicContact CG-CD1 4.5Å; M679-I682 HydrophobicContact CE-CD1 4.2Å; M679-I682 HydrophobicContact CE-CG1 4.2Å; M679-I682 HydrophobicContact SD-CD1 3.85Å; M679-I682 HydrophobicContact SD-CG1 3.52Å; M679-I682 VanDerWaalsContact SD-CG1 3.52Å
683	S	82.8	Confident	72	Confident	4 Å²	4	43.1 Å²	43.1	3%	0.028	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	149.4	171.7	-54.8	0	0	0	0	110.8	I383 W385	I383-S683 WeakPolarHBondContact CB-O 3.43Å; I383-S683 PolarHBondContact N-O 3.34Å; I383-S683 PolarHBondContact O-N 2.84Å; W385-S683 PolarHBondContact NE1-OG 2.93Å
684	D	80.8	Confident	70.3	Confident	24 Å²	24	46.4 Å²	46.4	13%	0.128	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	110.2	-176.5	-56.8	-105.6	0	0	0	111	R661 D686 L687	R661-D684 WeakPolarHBondContact CG-OD1 3.39Å; R661-D684 IonicContact CZ-OD1 3.82Å; R661-D684 IonicContact CZ-OD2 3.96Å; R661-D684 VanDerWaalsContact CZ-OD2 3.28Å; R661-D684 VanDerWaalsContact NE-CG 3.3Å; R661-D684 IonicContact NE-OD1 3.42Å; R661-D684 PolarHBondContact NE-OD1 2.83Å; R661-D684 IonicContact NE-OD2 3.23Å; R661-D684 PolarHBondContact NE-OD2 3.25Å; R661-D684 IonicContact NH2-OD1 3.04Å; R661-D684 IonicContact NH2-OD2 3.32Å; R661-D684 PolarHBondContact NH2-OD2 3.41Å; D684-D686 VanDerWaalsContact C-N 3.31Å; D684-D686 PolarHBondContact O-N 2.97Å; D684-L687 HydrophobicContact CB-CB 4.18Å; D684-L687 HydrophobicContact CB-CD1 3.69Å; D684-L687 HydrophobicContact CB-CG 3.83Å; D684-L687 PolarHBondContact O-N 2.72Å
685	H	78.9	Confident	68.6	Low	24 Å²	24	53.2 Å²	53.2	11%	0.111	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-67.3	-31.9	178.4	-174.5	72.5	0	0	0	112.1	D381 I383 Y606 L687 M688	D381-H685 HydrophobicContact CB-CB 4.01Å; D381-H685 WeakPolarHBondContact O-CB 3.4Å; D381-H685 PolarHBondContact O-N 2.9Å; D381-H685 IonicContact OD1-CD2 2.86Å; D381-H685 IonicContact OD2-CD2 2.76Å; I383-H685 HydrophobicContact CD1-CB 3.98Å; I383-H685 HydrophobicContact CG1-CB 3.94Å; Y606-H685 AromaticContact CE2-CE1 3.93Å; Y606-H685 AromaticContact CE2-ND1 3.62Å; Y606-H685 AromaticContact CZ-ND1 3.73Å; Y606-H685 PolarHBondContact OH-ND1 2.9Å; H685-L687 PolarHBondContact O-N 3.17Å; H685-M688 WeakPolarHBondContact O-CB 3.24Å; H685-M688 WeakPolarHBondContact O-CG 3.35Å; H685-M688 PolarHBondContact O-N 3.46Å
686	D	72.1	Confident	67	Low	71 Å²	71	54.6 Å²	54.6	38%	0.38	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-66.3	-19.9	177.6	-78.6	-38.4	0	0	0	114.1	K379 D381 D684	K379-D686 VanDerWaalsContact CE-CG 3.48Å; K379-D686 WeakPolarHBondContact CE-OD1 3.46Å; K379-D686 WeakPolarHBondContact CE-OD2 3.3Å; K379-D686 IonicContact NZ-OD1 2.97Å; K379-D686 PolarHBondContact NZ-OD1 2.67Å; K379-D686 IonicContact NZ-OD2 2.7Å; D381-D686 VanDerWaalsContact CB-OD2 3.28Å; D381-D686 WeakPolarHBondContact CB-OD2 3.37Å; D381-D686 PolarHBondContact N-OD2 3.32Å; D684-D686 VanDerWaalsContact C-N 3.31Å; D684-D686 PolarHBondContact O-N 2.97Å
687	L	69.1	Low	65.9	Low	26 Å²	26	53.9 Å²	53.9	14%	0.136	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-90.2	-9.2	180	-62.4	179	0	0	0	113.6	H657 Q660 R661 D684 H685 F689 S690	H657-L687 HydrophobicContact CB-CB 4.11Å; H657-L687 HydrophobicContact CB-CD1 4.1Å; H657-L687 PolarHBondContact CE1-O 3.26Å; H657-L687 PolarHBondContact ND1-O 3.39Å; H657-L687 PolarHBondContact NE2-O 3.32Å; Q660-L687 HydrophobicContact CB-CD1 3.92Å; Q660-L687 HydrophobicContact CB-CD2 4.16Å; R661-L687 HydrophobicContact CB-CD1 4.4Å; D684-L687 HydrophobicContact CB-CB 4.18Å; D684-L687 HydrophobicContact CB-CD1 3.69Å; D684-L687 HydrophobicContact CB-CG 3.83Å; D684-L687 PolarHBondContact O-N 2.72Å; H685-L687 PolarHBondContact O-N 3.17Å; L687-F689 PolarHBondContact O-N 3.43Å; L687-S690 PolarHBondContact O-N 2.92Å; L687-S690 PolarHBondContact O-OG 2.85Å
688	M	64.9	Low	64.7	Low	2 Å²	2	57.5 Å²	57.5	1%	0.01	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-19.9	-176.3	-66.6	-67.2	-58	0	0	114.7	V610 Y629 L653 H685	V610-M688 HydrophobicContact CB-CE 4.25Å; V610-M688 HydrophobicContact CG1-CE 3.45Å; V610-M688 VanDerWaalsContact CG1-CE 3.45Å; V610-M688 HydrophobicContact CG2-CE 3.71Å; Y629-M688 HydrophobicContact CD2-CE 4.21Å; Y629-M688 HydrophobicContact CE1-CE 4.32Å; Y629-M688 HydrophobicContact CE2-CE 3.9Å; Y629-M688 VanDerWaalsContact CE2-O 3.31Å; Y629-M688 WeakPolarHBondContact CE2-O 3.48Å; Y629-M688 PolarHBondContact OH-O 2.88Å; L653-M688 HydrophobicContact CD1-CE 4.23Å; L653-M688 HydrophobicContact CD1-SD 3.56Å; L653-M688 VanDerWaalsContact CD1-SD 3.56Å; L653-M688 HydrophobicContact CD2-CE 3.71Å; L653-M688 HydrophobicContact CD2-SD 3.44Å; L653-M688 WeakPolarHBondContact CD2-SD 3.23Å; L653-M688 HydrophobicContact CG-SD 4.11Å; H685-M688 WeakPolarHBondContact O-CB 3.24Å; H685-M688 WeakPolarHBondContact O-CG 3.35Å; H685-M688 PolarHBondContact O-N 3.46Å
689	F	63	Low	64	Low	19 Å²	19	51.6 Å²	51.6	8%	0.083	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.7	22.8	-177.8	-47.9	-72.4	0	0	0	113.2	V610 D613 P626 L687	V610-F689 HydrophobicContact CG1-CZ 4.28Å; D613-F689 HydrophobicContact CB-CE2 4.49Å; D613-F689 HydrophobicContact CB-CZ 4.24Å; D613-F689 WeakPolarHBondContact OD2-CE2 3.5Å; P626-F689 HydrophobicContact CB-CD1 3.73Å; P626-F689 HydrophobicContact CB-CE1 4.32Å; L687-F689 PolarHBondContact O-N 3.43Å
690	S	62.5	Low	63	Low	37 Å²	37	60.4 Å²	60.4	26%	0.259	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-43.2	175.4	62.4	0	0	0	0	112.4	K624 Q660 L687	K624-S690 PolarHBondContact NZ-O 2.9Å; Q660-S690 PolarHBondContact OE1-OG 3.46Å; L687-S690 PolarHBondContact O-N 2.92Å; L687-S690 PolarHBondContact O-OG 2.85Å
691	L	55.9	Low	62.9	Low	57 Å²	57	63.8 Å²	63.8	30%	0.298	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-75.7	120.8	-178.6	-72.2	173.3	0	0	0	111.6	L656 Q660	L656-L691 HydrophobicContact CB-CD1 4.37Å; L656-L691 HydrophobicContact CD2-CD1 4.49Å; Q660-L691 VanDerWaalsContact NE2-CD2 3.28Å
692	D	53.5	Low	62.5	Low	82 Å²	82	71.9 Å²	71.9	44%	0.439	37%	0.37	S	S	.	.	B	Isolated β-bridge	trans	-82.8	148.8	167.3	-58.3	-53.5	0	0	0	110.2	K624	K624-D692 VanDerWaalsContact CB-OD1 3.26Å; K624-D692 WeakPolarHBondContact CB-OD1 3.16Å; K624-D692 VanDerWaalsContact CG-OD1 3.25Å; K624-D692 WeakPolarHBondContact CG-OD1 3.49Å; K624-D692 IonicContact NZ-OD1 2.94Å; K624-D692 PolarHBondContact NZ-OD1 2.96Å; K624-D692 IonicContact NZ-OD2 3.16Å; K624-D692 PolarHBondContact NZ-OD2 3.12Å
693	V	52.3	Low	62.1	Low	58 Å²	58	79.5 Å²	79.5	35%	0.352	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-78.7	131.5	158.7	-175	0	0	0	0	107.3	F627	F627-V693 HydrophobicContact CD2-CG2 4Å
694	N	44	Very low	61.6	Low	116 Å²	116	80.8 Å²	80.8	62%	0.62	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-49.6	143.8	173.9	-71.6	4.6	0	0	0	110.7	D696	N694-D696 HydrophobicContact CB-CB 4.39Å; N694-D696 WeakPolarHBondContact CB-OD2 3.25Å; N694-D696 PolarHBondContact ND2-OD2 2.94Å; N694-D696 PolarHBondContact O-N 3.2Å
695	H	45.7	Very low	61.4	Low	143 Å²	143	81.5 Å²	81.5	66%	0.662	42%	0.422	S	S	*	.	S	Bend	trans	-78	49.2	172.5	-75.3	9.2	0	0	0	112.2	E697	H695-E697 VanDerWaalsContact C-N 3.26Å; H695-E697 PolarHBondContact O-N 3.4Å
696	D	44.6	Very low	61.5	Low	132 Å²	132	87 Å²	87	71%	0.706	45%	0.448	S	S	*	.			trans	-95.6	34.9	173	-55.7	-40.6	0	0	0	110	N694	N694-D696 HydrophobicContact CB-CB 4.39Å; N694-D696 WeakPolarHBondContact CB-OD2 3.25Å; N694-D696 PolarHBondContact ND2-OD2 2.94Å; N694-D696 PolarHBondContact O-N 3.2Å
697	E	53.7	Low	62.1	Low	75 Å²	75	90.4 Å²	90.4	35%	0.35	46%	0.456	S	S	.	.			trans	-133.2	20.4	-179	-64.5	-159.9	139.7	0	0	114	K319 H695	K319-E697 WeakPolarHBondContact CD-OE1 3.21Å; K319-E697 WeakPolarHBondContact CD-OE2 3.19Å; K319-E697 IonicContact NZ-OE1 3.6Å; K319-E697 PolarHBondContact NZ-OE1 2.9Å; K319-E697 IonicContact NZ-OE2 2.68Å; H695-E697 VanDerWaalsContact C-N 3.26Å; H695-E697 PolarHBondContact O-N 3.4Å
698	D	54.3	Low	62.8	Low	107 Å²	107	89.6 Å²	89.6	57%	0.572	45%	0.452	S	S	*	.	S	Bend	trans	-67.6	134.8	156.4	-97.7	-42.4	0	0	0	108	R324 E700	R324-D698 IonicContact CZ-OD1 3.87Å; R324-D698 IonicContact NH2-OD1 2.77Å; R324-D698 PolarHBondContact NH2-OD1 2.93Å; D698-E700 PolarHBondContact O-N 3.25Å
699	P	54.1	Low	63.7	Low	32 Å²	32	95.1 Å²	95.1	21%	0.208	48%	0.478	C	S	.	.			trans	-70.6	124.9	-177.3	27.2	-32.5	0	0	0	111.2	A320 D701 A704 I708	A320-P699 HydrophobicContact CB-CG 4.41Å; P699-D701 PolarHBondContact O-N 2.94Å; P699-A704 HydrophobicContact CB-CB 4.06Å; P699-A704 HydrophobicContact CG-CB 4.41Å; P699-I708 HydrophobicContact CG-CD1 4.32Å
700	E	58.5	Low	64.7	Low	200 Å²	200	96 Å²	96	94%	0.935	49%	0.492	S	S	*	.	S	Bend	trans	-62.4	-24.5	178.4	-58.5	-173.9	152.9	0	0	112.5	D698	D698-E700 PolarHBondContact O-N 3.25Å
701	D	68.1	Low	65.8	Low	119 Å²	119	96.4 Å²	96.4	64%	0.636	49%	0.488	S	S	*	.			trans	-84.4	112.8	178.9	-69.2	-50.8	0	0	0	112.8	P699 E703 A704 C705	P699-D701 PolarHBondContact O-N 2.94Å; D701-E703 PolarHBondContact O-N 3.46Å; D701-E703 VanDerWaalsContact O-N 3.15Å; D701-A704 HydrophobicContact CB-CB 4.17Å; D701-A704 WeakPolarHBondContact O-CB 3.39Å; D701-A704 PolarHBondContact O-N 2.96Å; D701-C705 PolarHBondContact O-N 2.9Å
702	Q	70.4	Confident	67.3	Low	172 Å²	172	94.5 Å²	94.5	80%	0.804	48%	0.479	S	S	*	.	H	α-helix	trans	-62.7	-22.8	179.3	-167.3	166.3	13	0	0	113.8	H706	Q702-H706 PolarHBondContact O-N 3.09Å
703	E	74.3	Confident	68.9	Low	169 Å²	169	95.7 Å²	95.7	79%	0.79	48%	0.482	S	S	*	.	H	α-helix	trans	-69.5	-35.6	172	-173.8	167.7	-162.2	0	0	112	D701 H706 Y707	D701-E703 PolarHBondContact O-N 3.46Å; D701-E703 VanDerWaalsContact O-N 3.15Å; E703-H706 PolarHBondContact O-N 3.03Å; E703-Y707 PolarHBondContact O-N 3.13Å
704	A	72.2	Confident	70.6	Confident	31 Å²	31	97.6 Å²	97.6	26%	0.256	49%	0.485	S	S	.	.	H	α-helix	trans	-68.1	-39	175.1	0	0	0	0	0	111.6	P699 D701 Y707 I708	P699-A704 HydrophobicContact CB-CB 4.06Å; P699-A704 HydrophobicContact CG-CB 4.41Å; D701-A704 HydrophobicContact CB-CB 4.17Å; D701-A704 WeakPolarHBondContact O-CB 3.39Å; D701-A704 PolarHBondContact O-N 2.96Å; A704-Y707 PolarHBondContact O-N 2.62Å; A704-I708 WeakPolarHBondContact O-CB 3.03Å; A704-I708 VanDerWaalsContact O-CG1 3.25Å; A704-I708 WeakPolarHBondContact O-CG1 3.26Å; A704-I708 PolarHBondContact O-N 3.43Å
705	C	77.1	Confident	72.6	Confident	39 Å²	39	92.1 Å²	92.1	26%	0.264	46%	0.456	S	S	.	.	H	α-helix	trans	-54.9	-53.1	170.5	-70.7	0	0	0	0	111.5	D701 Y707 I708 E709	D701-C705 PolarHBondContact O-N 2.9Å; C705-Y707 VanDerWaalsContact C-N 3.32Å; C705-Y707 PolarHBondContact O-N 3.25Å; C705-I708 PolarHBondContact O-N 3.38Å; C705-I708 VanDerWaalsContact O-N 3.14Å; C705-E709 WeakPolarHBondContact O-CG 3.44Å; C705-E709 PolarHBondContact O-N 3.38Å
706	H	81.2	Confident	74.5	Confident	140 Å²	140	88.8 Å²	88.8	65%	0.648	44%	0.441	S	S	*	.	H	α-helix	trans	-63.7	-35.8	-178.9	-174.3	-87.2	0	0	0	112.5	Q702 E703 G710	Q702-H706 PolarHBondContact O-N 3.09Å; E703-H706 PolarHBondContact O-N 3.03Å; H706-G710 PolarHBondContact O-N 3.02Å
707	Y	84.3	Confident	76.5	Confident	142 Å²	142	87.9 Å²	87.9	56%	0.557	43%	0.432	S	S	*	.	H	α-helix	trans	-63.1	-46	171.8	177	-93.7	0	0	0	112.1	E703 A704 C705 G710 R711	E703-Y707 PolarHBondContact O-N 3.13Å; A704-Y707 PolarHBondContact O-N 2.62Å; C705-Y707 VanDerWaalsContact C-N 3.32Å; C705-Y707 PolarHBondContact O-N 3.25Å; Y707-G710 PolarHBondContact O-N 2.88Å; Y707-R711 HydrophobicContact CD1-CG 4.13Å; Y707-R711 HydrophobicContact CE1-CG 3.68Å; Y707-R711 HydrophobicContact CE2-CG 4.17Å; Y707-R711 WeakPolarHBondContact O-CB 3.44Å; Y707-R711 VanDerWaalsContact O-CG 3.24Å; Y707-R711 WeakPolarHBondContact O-CG 3.27Å; Y707-R711 PolarHBondContact O-N 3.15Å
708	I	83.4	Confident	78	Confident	10 Å²	10	87.4 Å²	87.4	5%	0.051	43%	0.432	C	S	.	.	H	α-helix	trans	-63.5	-46.8	179.3	-70	165.1	0	0	0	110.6	A320 L321 R324 P699 A704 C705 R711 V712	A320-I708 HydrophobicContact CB-CD1 3.78Å; L321-I708 HydrophobicContact CB-CG1 4.11Å; L321-I708 HydrophobicContact CD1-CB 4.43Å; L321-I708 HydrophobicContact CD1-CG1 4.21Å; L321-I708 HydrophobicContact CD1-CG2 4.13Å; R324-I708 HydrophobicContact CB-CG2 3.76Å; R324-I708 HydrophobicContact CG-CG2 3.75Å; P699-I708 HydrophobicContact CG-CD1 4.32Å; A704-I708 WeakPolarHBondContact O-CB 3.03Å; A704-I708 VanDerWaalsContact O-CG1 3.25Å; A704-I708 WeakPolarHBondContact O-CG1 3.26Å; A704-I708 PolarHBondContact O-N 3.43Å; C705-I708 PolarHBondContact O-N 3.38Å; C705-I708 VanDerWaalsContact O-N 3.14Å; I708-R711 PolarHBondContact O-N 3.03Å; I708-V712 HydrophobicContact CG2-CG2 4.5Å; I708-V712 WeakPolarHBondContact O-CG2 3.31Å; I708-V712 PolarHBondContact O-N 3.16Å
709	E	83.7	Confident	79.4	Confident	117 Å²	117	82.6 Å²	82.6	55%	0.547	41%	0.406	S	S	.	.	H	α-helix	trans	-61.1	-45.9	177.2	-71.4	179.2	165.1	0	0	111.7	C705 R711 V712 Q713	C705-E709 WeakPolarHBondContact O-CG 3.44Å; C705-E709 PolarHBondContact O-N 3.38Å; E709-R711 VanDerWaalsContact C-N 3.33Å; E709-R711 PolarHBondContact O-N 3.2Å; E709-V712 PolarHBondContact O-N 3.16Å; E709-Q713 PolarHBondContact O-N 2.97Å
710	G	85.5	Confident	80.8	Confident	37 Å²	37	87.4 Å²	87.4	38%	0.381	42%	0.424	S	S	.	.	H	α-helix	trans	-62.8	-35.3	175.6	0	0	0	0	0	113.7	H706 Y707 K714	H706-G710 PolarHBondContact O-N 3.02Å; Y707-G710 PolarHBondContact O-N 2.88Å; G710-K714 WeakPolarHBondContact O-CB 3.38Å; G710-K714 PolarHBondContact O-N 2.7Å; G710-K714 VanDerWaalsContact O-N 3.08Å
711	R	86	Confident	82.1	Confident	47 Å²	47	80.6 Å²	80.6	18%	0.177	40%	0.401	C	S	.	.	H	α-helix	trans	-66.4	-43.5	172.6	-73.2	-72.9	-66.5	123.3	-0	111.6	E301 L321 M325 Y707 I708 E709 A715	E301-R711 IonicContact OE1-NH1 3.84Å; E301-R711 PolarHBondContact OE1-NH1 3.17Å; E301-R711 IonicContact OE2-CZ 2.87Å; E301-R711 IonicContact OE2-NH1 2.76Å; E301-R711 PolarHBondContact OE2-NH1 3.39Å; E301-R711 IonicContact OE2-NH2 3.69Å; E301-R711 PolarHBondContact OE2-NH2 3.04Å; L321-R711 HydrophobicContact CD1-CB 4.01Å; M325-R711 HydrophobicContact CE-CB 3.92Å; M325-R711 WeakPolarHBondContact CE-O 3.24Å; Y707-R711 HydrophobicContact CD1-CG 4.13Å; Y707-R711 HydrophobicContact CE1-CG 3.68Å; Y707-R711 HydrophobicContact CE2-CG 4.17Å; Y707-R711 WeakPolarHBondContact O-CB 3.44Å; Y707-R711 VanDerWaalsContact O-CG 3.24Å; Y707-R711 WeakPolarHBondContact O-CG 3.27Å; Y707-R711 PolarHBondContact O-N 3.15Å; I708-R711 PolarHBondContact O-N 3.03Å; E709-R711 VanDerWaalsContact C-N 3.33Å; E709-R711 PolarHBondContact O-N 3.2Å; R711-A715 PolarHBondContact O-N 2.95Å; R711-A715 VanDerWaalsContact O-N 3.14Å
712	V	86	Confident	82.9	Confident	16 Å²	16	77.1 Å²	77.1	10%	0.097	38%	0.381	C	S	.	.	H	α-helix	trans	-64.9	-47.4	178.1	170.1	0	0	0	0	111	R324 M325 N328 I708 E709 K714 A715 Q716	R324-V712 HydrophobicContact CB-CG2 4.24Å; M325-V712 HydrophobicContact CE-CB 4.48Å; M325-V712 HydrophobicContact CE-CG2 3.92Å; M325-V712 HydrophobicContact CG-CG2 4.2Å; M325-V712 HydrophobicContact SD-CB 4.5Å; M325-V712 HydrophobicContact SD-CG2 3.79Å; N328-V712 HydrophobicContact CB-CG1 3.88Å; N328-V712 WeakPolarHBondContact ND2-CG1 3.3Å; I708-V712 HydrophobicContact CG2-CG2 4.5Å; I708-V712 WeakPolarHBondContact O-CG2 3.31Å; I708-V712 PolarHBondContact O-N 3.16Å; E709-V712 PolarHBondContact O-N 3.16Å; V712-K714 PolarHBondContact O-N 3.21Å; V712-A715 WeakPolarHBondContact O-CB 3.48Å; V712-A715 PolarHBondContact O-N 3.34Å; V712-A715 VanDerWaalsContact O-N 3.15Å; V712-Q716 PolarHBondContact O-N 2.98Å; V712-Q716 VanDerWaalsContact O-N 3.12Å
713	Q	87.6	Confident	83.3	Confident	107 Å²	107	69.6 Å²	69.6	50%	0.5	35%	0.348	S	S	.	.	H	α-helix	trans	-59.8	-45.9	177.1	-178.7	177	-17.9	0	0	111.6	E709 A715 Q716 E717	E709-Q713 PolarHBondContact O-N 2.97Å; Q713-A715 VanDerWaalsContact C-N 3.27Å; Q713-A715 PolarHBondContact O-N 2.95Å; Q713-Q716 WeakPolarHBondContact O-CB 3.27Å; Q713-Q716 PolarHBondContact O-N 3.4Å; Q713-Q716 VanDerWaalsContact O-N 3.13Å; Q713-E717 HydrophobicContact CG-CG 4.39Å; Q713-E717 WeakPolarHBondContact CG-OE1 3.17Å; Q713-E717 PolarHBondContact NE2-OE1 3.41Å; Q713-E717 WeakPolarHBondContact O-CG 3.43Å; Q713-E717 PolarHBondContact O-N 3.39Å
714	K	88.3	Confident	83.8	Confident	98 Å²	98	66 Å²	66	43%	0.426	33%	0.331	S	S	.	.	H	α-helix	trans	-55.7	-41.3	174.9	177.8	178.7	177.7	-92.2	0	112.2	E301 G710 V712 E717 L718	E301-K714 IonicContact OE1-NZ 3.32Å; E301-K714 PolarHBondContact OE1-NZ 3.36Å; G710-K714 WeakPolarHBondContact O-CB 3.38Å; G710-K714 PolarHBondContact O-N 2.7Å; G710-K714 VanDerWaalsContact O-N 3.08Å; V712-K714 PolarHBondContact O-N 3.21Å; K714-E717 PolarHBondContact O-N 3Å; K714-L718 HydrophobicContact CG-CD1 3.98Å; K714-L718 HydrophobicContact CG-CG 4.43Å; K714-L718 WeakPolarHBondContact O-CB 3.31Å; K714-L718 VanDerWaalsContact O-CG 3.3Å; K714-L718 WeakPolarHBondContact O-CG 3.44Å; K714-L718 PolarHBondContact O-N 3.46Å
715	A	85	Confident	84.3	Confident	1 Å²	1	69.2 Å²	69.2	1%	0.008	34%	0.343	C	S	.	.	H	α-helix	trans	-64.9	-39.7	178.9	0	0	0	0	0	112.1	E301 Y302 M325 R711 V712 Q713 M719	E301-A715 HydrophobicContact CB-CB 3.94Å; E301-A715 HydrophobicContact CG-CB 4.48Å; Y302-A715 HydrophobicContact CE2-CB 3.79Å; M325-A715 HydrophobicContact CE-CB 4.29Å; M325-A715 HydrophobicContact SD-CB 4.35Å; R711-A715 PolarHBondContact O-N 2.95Å; R711-A715 VanDerWaalsContact O-N 3.14Å; V712-A715 WeakPolarHBondContact O-CB 3.48Å; V712-A715 PolarHBondContact O-N 3.34Å; V712-A715 VanDerWaalsContact O-N 3.15Å; Q713-A715 VanDerWaalsContact C-N 3.27Å; Q713-A715 PolarHBondContact O-N 2.95Å; A715-M719 WeakPolarHBondContact O-CB 3.5Å; A715-M719 WeakPolarHBondContact O-CG 3.37Å; A715-M719 PolarHBondContact O-N 3.29Å; A715-M719 VanDerWaalsContact O-N 3.09Å
716	Q	85.4	Confident	84.4	Confident	73 Å²	73	70.7 Å²	70.7	34%	0.341	35%	0.347	S	S	.	.	H	α-helix	trans	-66	-45	174.7	-65.8	-173.4	-49.2	0	0	112.6	N328 V712 Q713 M719 K720	N328-Q716 PolarHBondContact ND2-NE2 3.41Å; N328-Q716 WeakPolarHBondContact OD1-CG 3.09Å; N328-Q716 PolarHBondContact OD1-NE2 3.21Å; V712-Q716 PolarHBondContact O-N 2.98Å; V712-Q716 VanDerWaalsContact O-N 3.12Å; Q713-Q716 WeakPolarHBondContact O-CB 3.27Å; Q713-Q716 PolarHBondContact O-N 3.4Å; Q713-Q716 VanDerWaalsContact O-N 3.13Å; Q716-M719 PolarHBondContact O-N 2.87Å; Q716-K720 WeakPolarHBondContact O-CB 3.17Å; Q716-K720 PolarHBondContact O-N 3.43Å
717	E	86.9	Confident	84.2	Confident	114 Å²	114	68.5 Å²	68.5	53%	0.533	34%	0.338	S	S	.	.	H	α-helix	trans	-63	-43.1	179.7	-72.3	176.1	-177.2	0	0	111.8	Q713 K714 K720 A721	Q713-E717 HydrophobicContact CG-CG 4.39Å; Q713-E717 WeakPolarHBondContact CG-OE1 3.17Å; Q713-E717 PolarHBondContact NE2-OE1 3.41Å; Q713-E717 WeakPolarHBondContact O-CG 3.43Å; Q713-E717 PolarHBondContact O-N 3.39Å; K714-E717 PolarHBondContact O-N 3Å; E717-K720 PolarHBondContact O-N 3.39Å; E717-A721 WeakPolarHBondContact O-CB 3.45Å; E717-A721 PolarHBondContact O-N 3.43Å
718	L	86.4	Confident	83.9	Confident	65 Å²	65	67.8 Å²	67.8	34%	0.34	34%	0.339	S	S	.	.	H	α-helix	trans	-63.3	-47.6	174.9	-72.3	173.3	0	0	0	112.3	T297 E301 K714 K720 A721 E722	T297-L718 HydrophobicContact CG2-CB 4.33Å; E301-L718 HydrophobicContact CG-CD1 4.48Å; K714-L718 HydrophobicContact CG-CD1 3.98Å; K714-L718 HydrophobicContact CG-CG 4.43Å; K714-L718 WeakPolarHBondContact O-CB 3.31Å; K714-L718 VanDerWaalsContact O-CG 3.3Å; K714-L718 WeakPolarHBondContact O-CG 3.44Å; K714-L718 PolarHBondContact O-N 3.46Å; L718-K720 VanDerWaalsContact C-N 3.31Å; L718-K720 PolarHBondContact O-N 2.83Å; L718-A721 PolarHBondContact O-N 2.65Å; L718-E722 PolarHBondContact O-N 2.96Å
719	M	84.1	Confident	83.7	Confident	6 Å²	6	71.6 Å²	71.6	3%	0.03	36%	0.359	C	S	.	.	H	α-helix	trans	-59.1	-42.3	176.7	-84.1	-172.9	163	0	0	112.4	L292 F298 Y302 L332 A715 Q716 S723	L292-M719 HydrophobicContact CB-CE 4.13Å; L292-M719 HydrophobicContact CD2-CE 4.12Å; L292-M719 HydrophobicContact CD2-SD 4.34Å; L292-M719 WeakPolarHBondContact O-CE 3.09Å; F298-M719 HydrophobicContact CD2-CE 3.66Å; F298-M719 HydrophobicContact CE2-CE 4.39Å; Y302-M719 HydrophobicContact CD2-CE 3.41Å; Y302-M719 VanDerWaalsContact CD2-CE 3.41Å; Y302-M719 HydrophobicContact CD2-SD 4.31Å; Y302-M719 HydrophobicContact CE2-CE 3.22Å; Y302-M719 HydrophobicContact CE2-CG 4.34Å; Y302-M719 HydrophobicContact CE2-SD 3.5Å; Y302-M719 WeakPolarHBondContact CE2-SD 3.04Å; Y302-M719 HydrophobicContact CG-CE 4.39Å; L332-M719 HydrophobicContact CD1-SD 4.23Å; A715-M719 WeakPolarHBondContact O-CB 3.5Å; A715-M719 WeakPolarHBondContact O-CG 3.37Å; A715-M719 PolarHBondContact O-N 3.29Å; A715-M719 VanDerWaalsContact O-N 3.09Å; Q716-M719 PolarHBondContact O-N 2.87Å; M719-S723 WeakPolarHBondContact O-CB 3.43Å; M719-S723 PolarHBondContact O-N 3.25Å
720	K	83.3	Confident	83.2	Confident	132 Å²	132	68.1 Å²	68.1	57%	0.574	35%	0.351	S	S	*	.	H	α-helix	trans	-65.2	-45.8	179.3	-175.7	177.6	170	-175.7	0	111.3	Q716 E717 L718 S723 E724	Q716-K720 WeakPolarHBondContact O-CB 3.17Å; Q716-K720 PolarHBondContact O-N 3.43Å; E717-K720 PolarHBondContact O-N 3.39Å; L718-K720 VanDerWaalsContact C-N 3.31Å; L718-K720 PolarHBondContact O-N 2.83Å; K720-S723 PolarHBondContact O-N 3.25Å; K720-E724 WeakPolarHBondContact CE-OE1 3.46Å; K720-E724 IonicContact NZ-OE1 3.79Å; K720-E724 WeakPolarHBondContact O-CG 3.31Å; K720-E724 PolarHBondContact O-N 3.11Å
721	A	84.5	Confident	82.5	Confident	57 Å²	57	69.2 Å²	69.2	47%	0.471	36%	0.356	S	S	.	.	H	α-helix	trans	-62.9	-41.8	177.5	0	0	0	0	0	112.7	E717 L718 L725	E717-A721 WeakPolarHBondContact O-CB 3.45Å; E717-A721 PolarHBondContact O-N 3.43Å; L718-A721 PolarHBondContact O-N 2.65Å; A721-L725 WeakPolarHBondContact O-CB 3.45Å; A721-L725 PolarHBondContact O-N 3Å; A721-L725 VanDerWaalsContact O-N 3.08Å
722	E	84.5	Confident	81.8	Confident	46 Å²	46	70.1 Å²	70.1	22%	0.215	37%	0.37	C	S	.	.	H	α-helix	trans	-64.5	-41.3	174.2	-75.3	-174.1	-167.9	0	0	112.1	T294 T297 L718 L725 Q726	T294-E722 WeakPolarHBondContact CB-OE2 3.44Å; T294-E722 WeakPolarHBondContact CG2-OE2 3.31Å; T294-E722 PolarHBondContact N-OE2 3.31Å; T294-E722 PolarHBondContact OG1-OE2 3.28Å; T297-E722 VanDerWaalsContact CB-OE1 3.32Å; T297-E722 WeakPolarHBondContact CB-OE1 3.24Å; T297-E722 PolarHBondContact OG1-OE1 3.19Å; T297-E722 PolarHBondContact OG1-OE2 3Å; L718-E722 PolarHBondContact O-N 2.96Å; E722-L725 PolarHBondContact O-N 2.82Å; E722-Q726 WeakPolarHBondContact O-CB 3.25Å; E722-Q726 PolarHBondContact O-N 2.93Å
723	S	80.3	Confident	80.7	Confident	14 Å²	14	74.8 Å²	74.8	10%	0.098	39%	0.392	C	S	.	.	H	α-helix	trans	-63.5	-46.3	176.9	178.6	0	0	0	0	112.5	T290 M719 K720 L725 Q726 M727	T290-S723 VanDerWaalsContact CA-OG 3.3Å; T290-S723 WeakPolarHBondContact CA-OG 3.35Å; T290-S723 PolarHBondContact O-OG 3.08Å; M719-S723 WeakPolarHBondContact O-CB 3.43Å; M719-S723 PolarHBondContact O-N 3.25Å; K720-S723 PolarHBondContact O-N 3.25Å; S723-L725 VanDerWaalsContact C-N 3.34Å; S723-L725 PolarHBondContact O-N 3Å; S723-Q726 PolarHBondContact O-N 2.81Å; S723-M727 PolarHBondContact O-N 2.85Å
724	E	83.2	Confident	79.5	Confident	94 Å²	94	73.8 Å²	73.8	44%	0.439	40%	0.402	S	S	.	.	H	α-helix	trans	-62.2	-41.2	177.6	-73.8	177.4	-172.9	0	0	111.5	K720 M727 Q728	K720-E724 WeakPolarHBondContact CE-OE1 3.46Å; K720-E724 IonicContact NZ-OE1 3.79Å; K720-E724 WeakPolarHBondContact O-CG 3.31Å; K720-E724 PolarHBondContact O-N 3.11Å; E724-M727 PolarHBondContact O-N 2.97Å; E724-Q728 VanDerWaalsContact O-CG 3.28Å; E724-Q728 WeakPolarHBondContact O-CG 3.39Å; E724-Q728 PolarHBondContact O-N 3.03Å
725	L	83.9	Confident	78.1	Confident	98 Å²	98	74 Å²	74	51%	0.513	42%	0.416	S	S	.	.	H	α-helix	trans	-63.6	-41.4	173.3	-179.7	62.6	0	0	0	112	A721 E722 S723 Q728 L729	A721-L725 WeakPolarHBondContact O-CB 3.45Å; A721-L725 PolarHBondContact O-N 3Å; A721-L725 VanDerWaalsContact O-N 3.08Å; E722-L725 PolarHBondContact O-N 2.82Å; S723-L725 VanDerWaalsContact C-N 3.34Å; S723-L725 PolarHBondContact O-N 3Å; L725-Q728 PolarHBondContact O-N 3.45Å; L725-L729 HydrophobicContact CG-CD1 4.21Å; L725-L729 WeakPolarHBondContact O-CG 3.5Å; L725-L729 PolarHBondContact O-N 3.03Å
726	Q	78.1	Confident	76.5	Confident	71 Å²	71	78.5 Å²	78.5	33%	0.332	45%	0.447	S	S	.	.	H	α-helix	trans	-70.2	-34.1	179.1	-168.6	145.5	-50.5	0	0	112.3	E722 S723 L729 A730	E722-Q726 WeakPolarHBondContact O-CB 3.25Å; E722-Q726 PolarHBondContact O-N 2.93Å; S723-Q726 PolarHBondContact O-N 2.81Å; Q726-L729 PolarHBondContact O-N 2.72Å; Q726-A730 WeakPolarHBondContact O-CB 3.31Å; Q726-A730 PolarHBondContact O-N 3.02Å
727	M	77	Confident	74.6	Confident	94 Å²	94	79.2 Å²	79.2	46%	0.463	46%	0.456	S	S	.	.	H	α-helix	trans	-63.7	-42.8	169	-78.4	-175	56.8	0	0	112.1	T290 S723 E724 A730 A731	T290-M727 HydrophobicContact CG2-CG 3.59Å; T290-M727 HydrophobicContact CG2-SD 4.19Å; S723-M727 PolarHBondContact O-N 2.85Å; E724-M727 PolarHBondContact O-N 2.97Å; M727-A730 PolarHBondContact O-N 2.83Å; M727-A731 WeakPolarHBondContact O-CB 3.24Å; M727-A731 PolarHBondContact O-N 3.49Å
728	Q	79.8	Confident	72.7	Confident	126 Å²	126	81 Å²	81	59%	0.589	47%	0.465	S	S	*	.	H	α-helix	trans	-63.7	-41.7	175.5	-70.9	170.2	33.2	0	0	111.7	E724 L725 A731 S732	E724-Q728 VanDerWaalsContact O-CG 3.28Å; E724-Q728 WeakPolarHBondContact O-CG 3.39Å; E724-Q728 PolarHBondContact O-N 3.03Å; L725-Q728 PolarHBondContact O-N 3.45Å; Q728-A731 PolarHBondContact O-N 2.92Å; Q728-S732 WeakPolarHBondContact O-CB 3.34Å; Q728-S732 PolarHBondContact O-N 2.67Å
729	L	78.8	Confident	70.6	Confident	90 Å²	90	80.1 Å²	80.1	47%	0.471	46%	0.463	S	S	.	.	H	α-helix	trans	-62.6	-42.3	173.6	-78.9	164.1	0	0	0	112.2	L725 Q726 S732 M733	L725-L729 HydrophobicContact CG-CD1 4.21Å; L725-L729 WeakPolarHBondContact O-CG 3.5Å; L725-L729 PolarHBondContact O-N 3.03Å; Q726-L729 PolarHBondContact O-N 2.72Å; L729-S732 PolarHBondContact O-N 2.65Å; L729-M733 HydrophobicContact CB-CE 4.47Å; L729-M733 WeakPolarHBondContact O-CB 3.44Å; L729-M733 WeakPolarHBondContact O-CE 3.4Å; L729-M733 WeakPolarHBondContact O-CG 3.31Å; L729-M733 PolarHBondContact O-N 3.08Å
730	A	71.7	Confident	68.5	Low	44 Å²	44	83.5 Å²	83.5	36%	0.364	49%	0.492	S	S	.	.	H	α-helix	trans	-64.7	-42.9	176.5	0	0	0	0	0	112.2	Q726 M727 M733 A734	Q726-A730 WeakPolarHBondContact O-CB 3.31Å; Q726-A730 PolarHBondContact O-N 3.02Å; M727-A730 PolarHBondContact O-N 2.83Å; A730-M733 PolarHBondContact O-N 3Å; A730-A734 WeakPolarHBondContact O-CB 3.38Å; A730-A734 PolarHBondContact O-N 3.01Å
731	A	72.6	Confident	66.8	Low	61 Å²	61	84.6 Å²	84.6	50%	0.504	49%	0.493	S	S	.	.	H	α-helix	trans	-67.7	-37.6	175.8	0	0	0	0	0	112.5	M727 Q728 A734 S735	M727-A731 WeakPolarHBondContact O-CB 3.24Å; M727-A731 PolarHBondContact O-N 3.49Å; Q728-A731 PolarHBondContact O-N 2.92Å; A731-A734 PolarHBondContact O-N 2.72Å; A731-S735 WeakPolarHBondContact O-CB 3.4Å; A731-S735 PolarHBondContact O-N 3.49Å; A731-S735 VanDerWaalsContact O-N 3.08Å; A731-S735 PolarHBondContact O-OG 2.64Å
732	S	70.4	Confident	64.6	Low	66 Å²	66	85.9 Å²	85.9	46%	0.462	49%	0.491	S	S	.	.	H	α-helix	trans	-63.3	-47.7	173.2	-179.1	0	0	0	0	111.2	Q728 L729 A734 S735 S736	Q728-S732 WeakPolarHBondContact O-CB 3.34Å; Q728-S732 PolarHBondContact O-N 2.67Å; L729-S732 PolarHBondContact O-N 2.65Å; S732-A734 PolarHBondContact O-N 3.1Å; S732-S735 PolarHBondContact O-N 2.98Å; S732-S735 PolarHBondContact O-OG 2.71Å; S732-S735 VanDerWaalsContact O-OG 3.12Å; S732-S736 WeakPolarHBondContact O-CB 3.17Å; S732-S736 PolarHBondContact O-N 3Å
733	M	63.8	Low	62.8	Low	114 Å²	114	94.3 Å²	94.3	56%	0.562	52%	0.521	S	S	*	.	H	α-helix	trans	-60.2	-48.2	174.5	-74.2	-175	-74.3	0	0	111.5	L729 A730 S735 S736 T737	L729-M733 HydrophobicContact CB-CE 4.47Å; L729-M733 WeakPolarHBondContact O-CB 3.44Å; L729-M733 WeakPolarHBondContact O-CE 3.4Å; L729-M733 WeakPolarHBondContact O-CG 3.31Å; L729-M733 PolarHBondContact O-N 3.08Å; A730-M733 PolarHBondContact O-N 3Å; M733-S735 PolarHBondContact O-N 3.06Å; M733-S735 VanDerWaalsContact O-N 3.13Å; M733-S736 PolarHBondContact O-N 2.71Å; M733-S736 VanDerWaalsContact O-N 3.1Å; M733-T737 WeakPolarHBondContact O-CG2 3.27Å; M733-T737 PolarHBondContact O-N 3.2Å; M733-T737 PolarHBondContact O-OG1 3.46Å
734	A	62.4	Low	60.4	Low	85 Å²	85	101.9 Å²	101.9	70%	0.702	56%	0.555	S	S	*	*	H	α-helix	trans	-62.9	-19	179	0	0	0	0	0	114.7	A730 A731 S732	A730-A734 WeakPolarHBondContact O-CB 3.38Å; A730-A734 PolarHBondContact O-N 3.01Å; A731-A734 PolarHBondContact O-N 2.72Å; S732-A734 PolarHBondContact O-N 3.1Å
735	S	58	Low	57.9	Low	103 Å²	103	103.3 Å²	103.3	72%	0.72	57%	0.57	S	S	*	*	H	α-helix	trans	-102.4	-14.8	175.1	51.6	0	0	0	0	113.9	A731 S732 M733	A731-S735 WeakPolarHBondContact O-CB 3.4Å; A731-S735 PolarHBondContact O-N 3.49Å; A731-S735 VanDerWaalsContact O-N 3.08Å; A731-S735 PolarHBondContact O-OG 2.64Å; S732-S735 PolarHBondContact O-N 2.98Å; S732-S735 PolarHBondContact O-OG 2.71Å; S732-S735 VanDerWaalsContact O-OG 3.12Å; M733-S735 PolarHBondContact O-N 3.06Å; M733-S735 VanDerWaalsContact O-N 3.13Å
736	S	51.8	Low	55.4	Low	95 Å²	95	104.9 Å²	104.9	66%	0.664	59%	0.586	S	S	*	*	H	α-helix	trans	-108.2	-9.4	-176.7	-174.7	0	0	0	0	114.6	S732 M733	S732-S736 WeakPolarHBondContact O-CB 3.17Å; S732-S736 PolarHBondContact O-N 3Å; M733-S736 PolarHBondContact O-N 2.71Å; M733-S736 VanDerWaalsContact O-N 3.1Å
737	T	46.1	Very low	53	Low	88 Å²	88	107.6 Å²	107.6	54%	0.54	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-86.5	117.3	-179.4	48.4	0	0	0	0	113.4	M733	M733-T737 WeakPolarHBondContact O-CG2 3.27Å; M733-T737 PolarHBondContact O-N 3.2Å; M733-T737 PolarHBondContact O-OG1 3.46Å
738	E	45.8	Very low	50.9	Low	151 Å²	151	109.9 Å²	109.9	71%	0.706	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-60.4	140.9	139.8	-77.3	-163.8	131.4	0	0	109.2	L742	E738-L742 HydrophobicContact CB-CD1 3.89Å; E738-L742 HydrophobicContact CG-CD1 4.33Å
739	P	42.1	Very low	48.5	Very low	47 Å²	47	109.3 Å²	109.3	31%	0.305	62%	0.623	S	S	.	*	P	Polyproline II helix	trans	-64.7	146.3	-171	25.9	-36	0	0	0	112.9	W741 L742	P739-W741 HydrophobicContact CG-CZ2 4.29Å; P739-W741 VanDerWaalsContact CG-NE1 3.3Å; P739-W741 PolarHBondContact O-N 2.9Å; P739-L742 PolarHBondContact O-N 2.56Å; P739-L742 VanDerWaalsContact O-N 3.14Å
740	A	41.2	Very low	46.2	Very low	77 Å²	77	116.4 Å²	116.4	64%	0.636	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-58.4	-18.4	-164	0	0	0	0	0	116.3	L742 R743	A740-L742 PolarHBondContact O-N 2.77Å; A740-R743 PolarHBondContact O-N 2.93Å; A740-R743 VanDerWaalsContact O-N 3.16Å
741	W	46.1	Very low	44.1	Very low	155 Å²	155	126.4 Å²	126.4	59%	0.587	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-68.3	-13.1	177.8	61.7	-98.4	0	0	0	114.4	G229 P739 R743	G229-W741 PolarHBondContact O-NE1 3.42Å; P739-W741 HydrophobicContact CG-CZ2 4.29Å; P739-W741 VanDerWaalsContact CG-NE1 3.3Å; P739-W741 PolarHBondContact O-N 2.9Å; W741-R743 VanDerWaalsContact C-N 3.26Å; W741-R743 PolarHBondContact O-N 2.97Å
742	L	39.9	Very low	41.9	Very low	85 Å²	85	135.5 Å²	135.5	45%	0.445	69%	0.693	S	S	.	*	G	3₁₀ helix	trans	-72.6	-15	171	-87.1	150	0	0	0	113.5	E738 P739 A740 Q744	E738-L742 HydrophobicContact CB-CD1 3.89Å; E738-L742 HydrophobicContact CG-CD1 4.33Å; P739-L742 PolarHBondContact O-N 2.56Å; P739-L742 VanDerWaalsContact O-N 3.14Å; A740-L742 PolarHBondContact O-N 2.77Å; L742-Q744 PolarHBondContact O-N 2.86Å; L742-Q744 VanDerWaalsContact O-N 3.11Å
743	R	45.7	Very low	39.8	Very low	222 Å²	222	138 Å²	138	84%	0.838	71%	0.71	S	S	*	*			trans	-85.4	70.9	174.5	-65.3	-174.3	-178.9	177.6	2.1	111.7	A740 W741	A740-R743 PolarHBondContact O-N 2.93Å; A740-R743 VanDerWaalsContact O-N 3.16Å; W741-R743 VanDerWaalsContact C-N 3.26Å; W741-R743 PolarHBondContact O-N 2.97Å
744	Q	30.7	Very low	38	Very low	174 Å²	174	139.8 Å²	139.8	81%	0.813	72%	0.722	S	S	*	*			trans	-72.1	127.2	169.7	-66.8	-171.4	8.1	0	0	111.1	L742	L742-Q744 PolarHBondContact O-N 2.86Å; L742-Q744 VanDerWaalsContact O-N 3.11Å
745	T	29.5	Very low	36.4	Very low	124 Å²	124	142.6 Å²	142.6	76%	0.761	72%	0.72	S	S	*	*			trans	-76.8	144.4	163.3	45.5	0	0	0	0	110	D747	T745-D747 PolarHBondContact O-N 3.44Å
746	P	31.6	Very low	34.9	Very low	130 Å²	130	146.1 Å²	146.1	84%	0.844	72%	0.723	S	S	*	*			trans	-76.7	94.1	178.9	30.4	-33.9	0	0	0	111
747	D	27.7	Very low	33.7	Very low	129 Å²	129	151.3 Å²	151.3	69%	0.69	73%	0.733	S	S	*	*			trans	-70.1	138.8	171.4	-176.1	31	0	0	0	111.6	T745 T749	T745-D747 PolarHBondContact O-N 3.44Å; D747-T749 WeakPolarHBondContact OD2-CG2 3.42Å; D747-T749 PolarHBondContact OD2-OG1 3.44Å; D747-T749 VanDerWaalsContact OD2-OG1 3.13Å
748	N	33.8	Very low	32.9	Very low	141 Å²	141	153.2 Å²	153.2	75%	0.754	75%	0.747	S	S	*	*			trans	-109.1	47.8	-163.1	-167.1	7.6	0	0	0	112.5	R750	N748-R750 PolarHBondContact O-N 2.82Å
749	T	29.6	Very low	32.1	Very low	115 Å²	115	157.6 Å²	157.6	71%	0.706	76%	0.757	S	S	*	*			trans	-95.4	83.6	-174.6	39.8	0	0	0	0	113	D747 R751	D747-T749 WeakPolarHBondContact OD2-CG2 3.42Å; D747-T749 PolarHBondContact OD2-OG1 3.44Å; D747-T749 VanDerWaalsContact OD2-OG1 3.13Å; T749-R751 PolarHBondContact O-N 3.36Å; T749-R751 VanDerWaalsContact O-N 3.13Å
750	R	30.2	Very low	31.5	Very low	238 Å²	238	163 Å²	163	90%	0.898	78%	0.784	S	S	*	*			trans	-61.7	109.3	171.6	-78.1	179.4	169	175.2	-1.2	112.5	N748	N748-R750 PolarHBondContact O-N 2.82Å
751	R	26.9	Very low	31.4	Very low	254 Å²	254	165.5 Å²	165.5	96%	0.958	79%	0.793	S	S	*	*			trans	-130.5	141.4	148.4	-77.8	-165.8	170.4	-168.4	-2.1	111.5	T749	T749-R751 PolarHBondContact O-N 3.36Å; T749-R751 VanDerWaalsContact O-N 3.13Å
752	R	26.5	Very low	30.7	Very low	253 Å²	253	166.2 Å²	166.2	96%	0.955	81%	0.805	S	S	*	*			trans	-92.8	141	-176.7	-73.2	172.9	165	169.7	-6	111.4
753	S	26.2	Very low	30.7	Very low	117 Å²	117	167.9 Å²	167.9	82%	0.818	82%	0.821	S	S	*	*			trans	-150.7	152.9	145.9	53.4	0	0	0	0	110.5
754	N	26.1	Very low	29.7	Very low	152 Å²	152	160.3 Å²	160.3	81%	0.813	81%	0.812	S	S	*	*			trans	-70.6	167.2	179.3	-49.5	-50.6	0	0	0	110.2
755	E	28.4	Very low	29.8	Very low	145 Å²	145	159.7 Å²	159.7	68%	0.678	81%	0.813	S	S	*	*			cis	-155.3	159.3	39.2	-67.1	-163	97.7	0	0	116.1
756	K	27.9	Very low	30.1	Very low	176 Å²	176	159.5 Å²	159.5	77%	0.765	81%	0.814	S	S	*	*			trans	32.4	116.4	142.3	-60.2	160.8	-174.9	155.6	0	120.2
757	K	25.7	Very low	29.8	Very low	205 Å²	205	160.6 Å²	160.6	89%	0.891	81%	0.813	S	S	*	*			trans	-106.8	139.1	153.1	-82.3	-172.8	174.4	-178.4	0	111.7
758	P	29.8	Very low	31	Very low	128 Å²	128	160 Å²	160	83%	0.831	82%	0.815	S	S	*	*			trans	-84.5	-178.4	167.4	35	-34	0	0	0	112.9
759	R	27.6	Very low	30.7	Very low	242 Å²	242	161.4 Å²	161.4	91%	0.913	82%	0.822	S	S	*	*			trans	-95.7	153.2	-171.7	-69	174.1	168.4	161.4	-6.5	114.5
760	N	29.9	Very low	31.4	Very low	161 Å²	161	160.7 Å²	160.7	86%	0.861	82%	0.819	S	S	*	*			trans	-94.3	159.1	160.8	-70.2	4.8	0	0	0	112.1
761	P	38.8	Very low	31.4	Very low	129 Å²	129	155.9 Å²	155.9	84%	0.838	81%	0.812	S	S	*	*			trans	-115.6	172.3	151.1	34.9	-23.3	0	0	0	114.1
762	M	32.5	Very low	32.2	Very low	170 Å²	170	150 Å²	150	84%	0.837	81%	0.807	S	S	*	*			trans	-79.9	-177.9	-176.7	-70.6	-77.1	-78.5	0	0	114
763	P	39.6	Very low	32.3	Very low	120 Å²	120	146.8 Å²	146.8	78%	0.779	80%	0.799	S	S	*	*			cis	-128.7	-163.4	3.3	44.2	-27.4	0	0	0	113.7
764	G	24.6	Very low	32.4	Very low	63 Å²	63	148 Å²	148	65%	0.649	80%	0.801	S	S	*	*			cis	135.8	119.4	-16.4	0	0	0	0	0	117.1
765	L	32.6	Very low	32.4	Very low	161 Å²	161	145.8 Å²	145.8	84%	0.843	80%	0.798	S	S	*	*			trans	66.2	141	170.8	-87.2	164	0	0	0	119.2
766	P	35.3	Very low	32.2	Very low	120 Å²	120	147 Å²	147	78%	0.779	81%	0.808	S	S	*	*				-149.9	-168.1	86.1	42	-22.9	0	0	0	116.8
767	L	25.7	Very low	32.1	Very low	154 Å²	154	147.8 Å²	147.8	81%	0.806	82%	0.815	S	S	*	*			trans	-115.7	-150.1	176.5	-64.9	164.2	0	0	0	112.1
768	P	52.4	Low	32.3	Very low	115 Å²	115	144.1 Å²	144.1	75%	0.747	81%	0.809	S	S	*	*				-124.4	-170	-120.1	38.8	-17.3	0	0	0	115.7
769	L	28.9	Very low	32.1	Very low	171 Å²	171	144.7 Å²	144.7	90%	0.895	81%	0.81	S	S	*	*			trans	170.2	169.6	144.4	-88.7	166.8	0	0	0	111.9
770	P	43.6	Very low	32.1	Very low	100 Å²	100	140 Å²	140	65%	0.649	80%	0.803	S	S	*	*			trans	-129	179.3	-152.5	46.1	-35.1	0	0	0	119.2
771	D	30.1	Very low	32	Very low	138 Å²	138	141.6 Å²	141.6	74%	0.738	81%	0.808	S	S	*	*			trans	57	145.4	149.7	-86.5	37.1	0	0	0	121.5
772	P	44.8	Very low	31.4	Very low	131 Å²	131	141.2 Å²	141.2	85%	0.851	80%	0.799	S	S	*	*				-152.4	-158.7	63	42.9	-20.3	0	0	0	117.4
773	K	27.7	Very low	31.2	Very low	184 Å²	184	143.4 Å²	143.4	80%	0.8	80%	0.798	S	S	*	*			trans	-113.9	165	-169.5	-57	172.9	179.8	177.3	0	115.1
774	V	29	Very low	30.7	Very low	142 Å²	142	143.4 Å²	143.4	86%	0.861	80%	0.801	S	S	*	*				150.9	146.6	127.3	167	0	0	0	0	114.8
775	S	25	Very low	30.7	Very low	107 Å²	107	143.7 Å²	143.7	75%	0.748	80%	0.804	S	S	*	*			trans	-65.6	167.9	-169.2	-31.2	0	0	0	0	120.9
776	L	24.8	Very low	30.5	Very low	171 Å²	171	142.4 Å²	142.4	90%	0.895	81%	0.808	S	S	*	*			trans	-156.8	-175.9	132.3	-138.7	73.3	0	0	0	113.2
777	E	26.1	Very low	30.1	Very low	191 Å²	191	140.3 Å²	140.3	89%	0.893	81%	0.808	S	S	*	*			trans	-111.9	-173	-155.1	-64.9	-179.4	110.8	0	0	117.4
778	V	30.4	Very low	30.1	Very low	129 Å²	129	136.5 Å²	136.5	78%	0.782	81%	0.806	S	S	*	*			trans	-103.6	154.4	-167.2	177.7	0	0	0	0	113.2
779	V	25.4	Very low	28.9	Very low	140 Å²	140	141.4 Å²	141.4	85%	0.848	82%	0.816	S	S	*	*			trans	-144.1	143.7	155.8	-174.2	0	0	0	0	111.1
780	D	26.5	Very low	28.6	Very low	144 Å²	144	141.9 Å²	141.9	77%	0.77	81%	0.813	S	S	*	*			trans	-79.7	168.5	-178.1	-50.6	-92.4	0	0	0	116.7
781	M	27.4	Very low	28.6	Very low	194 Å²	194	141.4 Å²	141.4	96%	0.956	81%	0.81	S	S	*	*			trans	-151.9	158.1	134.2	-155.9	108.2	73.5	0	0	111.1
782	D	26.8	Very low	28.4	Very low	121 Å²	121	142 Å²	142	65%	0.647	81%	0.808	S	S	*	*			trans	-132.6	164.2	-158.9	177.1	32.8	0	0	0	113.3
783	R	28.9	Very low	27.6	Very low	216 Å²	216	143.1 Å²	143.1	82%	0.815	80%	0.8	S	S	*	*			trans	74.2	158.5	167.6	-46	-165.7	174.9	-164.3	-8.1	117.3
784	S	28.2	Very low	27.4	Very low	120 Å²	120	140.9 Å²	140.9	84%	0.839	79%	0.792	S	S	*	*			cis	-165.2	167.9	-5.5	27.4	0	0	0	0	108.3
785	G	25.9	Very low	27.3	Very low	69 Å²	69	139 Å²	139	71%	0.711	79%	0.785	S	S	*	*			cis	147	153.4	-0.9	0	0	0	0	0	112.2
786	S	28.1	Very low	27.3	Very low	134 Å²	134	138.3 Å²	138.3	94%	0.937	78%	0.781	S	S	*	*			trans	69.1	145.9	180	-163.3	0	0	0	0	115.8
787	G	26.8	Very low	27.4	Very low	75 Å²	75	136.6 Å²	136.6	77%	0.773	77%	0.772	S	S	*	*			cis	143.3	154.3	2.2	0	0	0	0	0	109.7
788	G	25.8	Very low	27.4	Very low	75 Å²	75	134.8 Å²	134.8	77%	0.773	76%	0.764	S	S	*	*			cis	159.5	157.4	-1.8	0	0	0	0	0	109.8
789	K	26.6	Very low	27.1	Very low	217 Å²	217	134.8 Å²	134.8	94%	0.943	76%	0.764	S	S	*	*			trans	-159.8	120.3	165	-117.6	169	-172.8	177.4	0	114.5
790	Q	23.3	Very low	27.2	Very low	181 Å²	181	135.7 Å²	135.7	85%	0.846	76%	0.762	S	S	*	*			trans	-107	-164.1	166.6	-93.5	-167.8	-8.3	0	0	107.7
791	P	43.5	Very low	27.1	Very low	90 Å²	90	135.1 Å²	135.1	58%	0.584	76%	0.759	S	S	*	*			cis	-141.1	-172.9	6.1	26.2	1.1	0	0	0	117.3
792	H	26	Very low	27	Very low	151 Å²	151	132.7 Å²	132.7	70%	0.699	75%	0.749	S	S	*	*			trans	123.5	108.2	150.7	-66	-53.1	0	0	0	113.9
793	K	27.2	Very low	27	Very low	154 Å²	154	132.2 Å²	132.2	67%	0.67	76%	0.756	S	S	*	*				81.7	139.5	84.5	-86.4	-177.1	165.4	-109.8	0	111.7
794	E	24.5	Very low	26.9	Very low	137 Å²	137	125.6 Å²	125.6	64%	0.64	76%	0.755	S	S	*	*			cis	-159.9	153.8	5.8	-138.7	152.3	-174.3	0	0	111.8
795	S	26.2	Very low	26.8	Very low	102 Å²	102	127.6 Å²	127.6	71%	0.713	76%	0.756	S	S	*	*			trans	37.1	146	149.3	57.4	0	0	0	0	123.5
796	S	25.9	Very low	26.8	Very low	94 Å²	94	128.1 Å²	128.1	66%	0.657	75%	0.754	S	S	*	*			cis	177.2	147.3	-9.9	50.7	0	0	0	0	112.2
797	N	26.3	Very low	26.7	Very low	135 Å²	135	126.9 Å²	126.9	72%	0.722	75%	0.745	S	S	*	*			trans	63.2	158.1	151.3	-65.7	26.1	0	0	0	119
798	E	25.5	Very low	26.6	Very low	153 Å²	153	128.2 Å²	128.2	72%	0.715	75%	0.749	S	S	*	*			cis	-148.2	132.1	2.8	-123	145.8	-124.6	0	0	108.2
799	V	23.6	Very low	26.7	Very low	128 Å²	128	132.7 Å²	132.7	78%	0.776	75%	0.749	S	S	*	*				76.9	151.5	91.9	-179.8	0	0	0	0	115.8
800	I	28.4	Very low	27.3	Very low	159 Å²	159	127.3 Å²	127.3	82%	0.815	74%	0.737	S	S	*	*			trans	84.3	120.3	-175.9	-47.8	176.4	0	0	0	113.7
801	D	23.9	Very low	27.4	Very low	133 Å²	133	126.2 Å²	126.2	71%	0.711	74%	0.735	S	S	*	*			cis	119.2	147.7	-1.1	-164.5	27.2	0	0	0	114.9
802	L	25.9	Very low	26.5	Very low	142 Å²	142	125.5 Å²	125.5	74%	0.743	74%	0.744	S	S	*	*			trans	70.8	144.5	172.8	-52.7	-177.2	0	0	0	118.7
803	S	27.3	Very low	26.4	Very low	112 Å²	112	123.8 Å²	123.8	78%	0.783	75%	0.749	S	S	*	*			cis	-169.1	153.5	-14.9	48.7	0	0	0	0	114
804	G	25.7	Very low	26.2	Very low	77 Å²	77	121.4 Å²	121.4	79%	0.794	75%	0.752	S	S	*	*			trans	101.5	145	149	0	0	0	0	0	118.4
805	D	26.6	Very low	26.1	Very low	161 Å²	161	120.6 Å²	120.6	86%	0.861	76%	0.761	S	S	*	*			cis	-161.7	157.8	-17	-161.3	9.1	0	0	0	111.7
806	A	26.3	Very low	25.9	Very low	81 Å²	81	118.9 Å²	118.9	67%	0.669	76%	0.76	S	S	*	*			trans	58.4	147.2	160.1	0	0	0	0	0	121.5
807	S	24.9	Very low	26.3	Very low	108 Å²	108	120 Å²	120	76%	0.755	77%	0.765	S	S	*	*			cis	-171.1	141.8	-22.1	55.1	0	0	0	0	112.8
808	A	26.1	Very low	26.1	Very low	103 Å²	103	120.9 Å²	120.9	85%	0.851	77%	0.769	S	S	*	*			trans	68.1	131.7	145.8	0	0	0	0	0	123.2
809	E	27.6	Very low	26	Very low	168 Å²	168	117.1 Å²	117.1	79%	0.785	76%	0.764	S	S	*	*			trans	-63.8	173.1	160.1	-107.7	-166.1	-114	0	0	113.5
810	P	37.8	Very low	25.9	Very low	105 Å²	105	116.1 Å²	116.1	68%	0.682	76%	0.763	S	S	*	*			cis	-158.7	175.6	49.3	45.3	-23.2	0	0	0	121.2
811	I	25.8	Very low	25.7	Very low	158 Å²	158	115.4 Å²	115.4	81%	0.81	76%	0.76	S	S	*	*			trans	23.7	132.2	135.7	-52	162.3	0	0	0	119.7
812	G	25	Very low	25.7	Very low	75 Å²	75	115.6 Å²	115.6	77%	0.773	76%	0.76	S	S	*	*			trans	178.8	142.8	154.1	0	0	0	0	0	116.1
813	S	23.6	Very low	25.5	Very low	114 Å²	114	116.8 Å²	116.8	80%	0.797	76%	0.762	S	S	*	*			trans	-149.5	158.4	171.6	71.2	0	0	0	0	113.3
814	S	22.3	Very low	25.2	Very low	105 Å²	105	118.8 Å²	118.8	73%	0.734	76%	0.76	S	S	*	*			trans	81.7	146.2	160.1	81.4	0	0	0	0	121.8
815	S	22.5	Very low	25.2	Very low	120 Å²	120	121.6 Å²	121.6	84%	0.839	76%	0.762	S	S	*	*			trans	76.8	149.3	153.8	69.1	0	0	0	0	121.3
816	G	23.4	Very low	25.1	Very low	66 Å²	66	117.8 Å²	117.8	68%	0.68	75%	0.753	S	S	*	*			trans	-91.1	-144.1	175.6	0	0	0	0	0	113
817	P	34.6	Very low	25	Very low	117 Å²	117	121 Å²	121	76%	0.76	76%	0.759	S	S	*	*				-150.8	-165.1	55.7	44.1	-24	0	0	0	115.7
818	D	20.9	Very low	24.9	Very low	153 Å²	153	124.2 Å²	124.2	82%	0.818	76%	0.762	S	S	*	*			trans	13.3	160.9	137.5	-64	-24.7	0	0	0	122.7
819	A	23.6	Very low	24.8	Very low	74 Å²	74	128.6 Å²	128.6	61%	0.612	76%	0.762	S	S	*	*			cis	179.6	158.1	-24.6	0	0	0	0	0	109.4
820	S	22.4	Very low	25	Very low	107 Å²	107	126 Å²	126	75%	0.748	76%	0.76	S	S	*	*			trans	62	136.7	157.5	71.3	0	0	0	0	120.8
821	L	22.8	Very low	24.2	Very low	144 Å²	144	127.3 Å²	127.3	75%	0.754	77%	0.765	S	S	*	*				-178.2	135.9	119.2	-119.6	66.2	0	0	0	112.2
822	I	24.5	Very low	24	Very low	137 Å²	137	130.6 Å²	130.6	70%	0.703	77%	0.768	S	S	*	*			trans	57	119.7	144.1	-71.1	167.8	0	0	0	118.9
823	E	21.7	Very low	24.4	Very low	168 Å²	168	131.7 Å²	131.7	79%	0.785	76%	0.761	S	S	*	*				64	142.5	72.6	-96.5	-172.3	163.3	0	0	114.9
824	M	22.1	Very low	24.4	Very low	154 Å²	154	132 Å²	132	76%	0.759	76%	0.758	S	S	*	*			cis	-144.1	158	1.9	-51.8	176.6	-70.7	0	0	110.8
825	T	24.1	Very low	24.4	Very low	135 Å²	135	137.7 Å²	137.7	83%	0.828	76%	0.764	S	S	*	*			trans	163	117.2	135.1	32	0	0	0	0	107.5
826	A	25.1	Very low	24.4	Very low	82 Å²	82	137.5 Å²	137.5	68%	0.678	76%	0.758	S	S	*	*				69.6	124	68.8	0	0	0	0	0	112.2
827	D	23.5	Very low	24.4	Very low	148 Å²	148	138.5 Å²	138.5	79%	0.791	75%	0.754	S	S	*	*			cis	-159	177.3	2.9	-133.2	-36.9	0	0	0	114.9
828	E	24.3	Very low	23.8	Very low	176 Å²	176	141.3 Å²	141.3	82%	0.822	76%	0.757	S	S	*	*			trans	46	110.9	156.8	-59.8	-150	114.9	0	0	123.2
829	K	22.9	Very low	23.9	Very low	195 Å²	195	139.5 Å²	139.5	85%	0.848	75%	0.752	S	S	*	*			trans	-34.6	158.3	137.7	-76.1	167.5	-176.1	163.7	0	113.5
830	P	31.2	Very low	23.8	Very low	114 Å²	114	141.7 Å²	141.7	74%	0.74	75%	0.753	S	S	*	*				-160.2	162.3	57.7	43.9	-21.8	0	0	0	121.7
831	V	22.8	Very low	23.8	Very low	131 Å²	131	143.1 Å²	143.1	79%	0.794	75%	0.748	S	S	*	*			trans	50.8	112.4	134.3	177.4	0	0	0	0	120.4
832	R	21.6	Very low	23.9	Very low	228 Å²	228	143.6 Å²	143.6	86%	0.86	75%	0.746	S	S	*	*				27.3	153.3	116.4	-107.4	-172.7	-176.5	-169.2	2.7	119
833	P	33	Very low	24	Very low	97 Å²	97	143.5 Å²	143.5	63%	0.63	75%	0.747	S	S	*	*			cis	-150.5	172.9	18.3	40.3	-17.8	0	0	0	119.2
834	T	22.7	Very low	24.1	Very low	120 Å²	120	143.2 Å²	143.2	74%	0.736	75%	0.746	S	S	*	*			trans	54.9	132.4	142.3	51	0	0	0	0	124.4
835	R	22.7	Very low	24.2	Very low	225 Å²	225	139.7 Å²	139.7	85%	0.849	74%	0.736	S	S	*	*			trans	87.9	151.4	131.6	-93.2	-176.2	166.6	-177.9	-5.8	120.3
836	T	22.4	Very low	24.2	Very low	117 Å²	117	140.4 Å²	140.4	72%	0.718	74%	0.735	S	S	*	*			trans	57.8	104.2	155.7	43.3	0	0	0	0	116
837	S	23.1	Very low	24.3	Very low	86 Å²	86	141.7 Å²	141.7	60%	0.601	74%	0.739	S	S	*	*				82.6	144.6	66.3	68.7	0	0	0	0	112.4
838	E	22	Very low	24.4	Very low	177 Å²	177	142.4 Å²	142.4	83%	0.827	74%	0.743	S	S	*	*			trans	68.5	149.1	179.8	-55.7	170.3	154.6	0	0	111.9
839	T	23.1	Very low	24.4	Very low	115 Å²	115	141.2 Å²	141.2	71%	0.706	74%	0.742	S	S	*	*			cis	-160	164.3	-13	15	0	0	0	0	108.3
840	D	21.9	Very low	24.4	Very low	119 Å²	119	139.8 Å²	139.8	64%	0.636	74%	0.738	S	S	*	*			trans	65.9	131.9	140.2	-75.7	27.4	0	0	0	124.5
841	Q	23.3	Very low	24	Very low	138 Å²	138	141.7 Å²	141.7	65%	0.645	74%	0.737	S	S	*	*			trans	81.5	120.1	131.4	-71.7	174.8	56	0	0	121.8
842	Q	24.3	Very low	24.1	Very low	153 Å²	153	145.3 Å²	145.3	72%	0.715	74%	0.738	S	S	*	*				69.8	111	130	-66.9	174.7	1.5	0	0	117.6
843	N	25.4	Very low	24.1	Very low	135 Å²	135	141 Å²	141	72%	0.722	73%	0.732	S	S	*	*				68	106.4	83.6	-68.8	10.1	0	0	0	113.1
844	H	24.9	Very low	23.7	Very low	162 Å²	162	140.8 Å²	140.8	75%	0.75	74%	0.738	S	S	*	*				-179.3	131.1	105.8	-98.4	-76.3	0	0	0	108.1
845	S	24.7	Very low	23.9	Very low	81 Å²	81	140.7 Å²	140.7	57%	0.566	74%	0.742	S	S	*	*				45.5	130.8	103.2	86.9	0	0	0	0	114
846	D	24.4	Very low	24.1	Very low	149 Å²	149	140.7 Å²	140.7	80%	0.797	74%	0.742	S	S	*	*			cis	-145.4	177.1	38.3	-89.1	-69.6	0	0	0	115.4
847	S	26.4	Very low	24.4	Very low	110 Å²	110	142.8 Å²	142.8	77%	0.769	75%	0.748	S	S	*	*			trans	-77.4	152.4	174.3	57.8	0	0	0	0	113.5
848	D	25.2	Very low	24.6	Very low	163 Å²	163	143.8 Å²	143.8	87%	0.872	76%	0.755	S	S	*	*			trans	-147.7	155.5	148.8	-138.3	-25	0	0	0	112.5
849	L	24.2	Very low	24.8	Very low	151 Å²	151	140.2 Å²	140.2	79%	0.791	76%	0.756	S	S	*	*			trans	-105.3	129.6	-174.7	-85.9	158.6	0	0	0	111.4
850	Q	23.9	Very low	24.9	Very low	165 Å²	165	138.3 Å²	138.3	77%	0.771	76%	0.759	S	S	*	*			trans	-171.2	141.9	139.4	-109.4	148.3	78.2	0	0	117.6
851	Q	23.1	Very low	25	Very low	154 Å²	154	141 Å²	141	72%	0.72	77%	0.772	S	S	*	*			trans	60.9	108.7	139.2	-76.5	169.9	-11	0	0	123.7
852	Y	23.1	Very low	25.1	Very low	206 Å²	206	141.8 Å²	141.8	81%	0.808	78%	0.776	S	S	*	*				62.1	140.7	115.1	-84.6	-92.7	0	0	0	123
853	D	22.4	Very low	25	Very low	138 Å²	138	139.7 Å²	139.7	74%	0.738	78%	0.778	S	S	*	*			trans	49	114.5	159.7	-58.4	-27.4	0	0	0	120
854	A	25.5	Very low	25	Very low	92 Å²	92	138.9 Å²	138.9	76%	0.76	78%	0.783	S	S	*	*			cis	83.6	94.3	41.6	0	0	0	0	0	115.8
855	S	26.6	Very low	24.9	Very low	118 Å²	118	139.3 Å²	139.3	83%	0.825	79%	0.785	S	S	*	*			trans	-174.8	141.1	151.1	42.9	0	0	0	0	108.2
856	R	27.3	Very low	24.9	Very low	226 Å²	226	138.9 Å²	138.9	85%	0.853	79%	0.794	S	S	*	*			cis	-142.9	147.4	-8.6	-99.2	169.4	171.3	176	-4.6	105.6
857	L	28.4	Very low	25	Very low	161 Å²	161	139.1 Å²	139.1	84%	0.843	80%	0.795	S	S	*	*				47.6	138.1	81.5	-59.6	176.6	0	0	0	113.4
858	S	25.9	Very low	24.8	Very low	106 Å²	106	142.4 Å²	142.4	74%	0.741	80%	0.796	S	S	*	*			cis	-162.6	162	26.4	53.8	0	0	0	0	115
859	A	27.3	Very low	24.7	Very low	103 Å²	103	138.5 Å²	138.5	85%	0.851	78%	0.775	S	S	*	*			trans	74.2	149.8	150.7	0	0	0	0	0	118.9
860	G	24.9	Very low	24.9	Very low	74 Å²	74	136.8 Å²	136.8	76%	0.763	77%	0.766	S	S	*	*			cis	-159.4	161.2	1.6	0	0	0	0	0	114
861	L	24.6	Very low	25	Very low	176 Å²	176	132.9 Å²	132.9	92%	0.921	75%	0.748	S	S	*	*			trans	-145.4	127.6	-178.3	-100.5	169.8	0	0	0	109.7
862	E	23.7	Very low	25.4	Very low	154 Å²	154	129.9 Å²	129.9	72%	0.72	74%	0.736	S	S	*	*			trans	-144.1	156	155.7	-72.1	-169.1	156.1	0	0	107
863	S	23.4	Very low	25.6	Very low	109 Å²	109	127.2 Å²	127.2	76%	0.762	73%	0.731	S	S	*	*			cis	-178.1	136.7	-36.2	59.4	0	0	0	0	102.9
864	S	25	Very low	26.2	Very low	118 Å²	118	125 Å²	125	83%	0.825	72%	0.72	S	S	*	*			trans	-144.9	126.8	-177.1	59	0	0	0	0	110.9	G866	S864-G866 PolarHBondContact O-N 3.39Å; S864-G866 VanDerWaalsContact O-N 3.13Å
865	H	23.8	Very low	26.3	Very low	171 Å²	171	124.7 Å²	124.7	79%	0.792	71%	0.712	S	S	*	*			trans	-66.7	110.5	175.7	-77.3	-57.1	0	0	0	110.7	N867	H865-N867 PolarHBondContact O-N 3.47Å; H865-N867 VanDerWaalsContact O-N 3.11Å
866	G	24.8	Very low	26.7	Very low	73 Å²	73	124.4 Å²	124.4	75%	0.753	70%	0.701	S	S	*	*			trans	-71.5	98.8	173.3	0	0	0	0	0	111.6	S864 F868	S864-G866 PolarHBondContact O-N 3.39Å; S864-G866 VanDerWaalsContact O-N 3.13Å; G866-F868 PolarHBondContact O-N 3.13Å
867	N	24.8	Very low	26.7	Very low	153 Å²	153	121.4 Å²	121.4	82%	0.818	70%	0.696	S	S	*	*			trans	-67.1	121.2	163.1	-84.5	-16.2	0	0	0	108.9	H865 N869	H865-N867 PolarHBondContact O-N 3.47Å; H865-N867 VanDerWaalsContact O-N 3.11Å; N867-N869 PolarHBondContact O-N 3.2Å
868	F	23.1	Very low	26.8	Very low	180 Å²	180	121 Å²	121	79%	0.789	70%	0.695	S	S	*	*			trans	-79.5	62.8	-173	-145.7	-87.9	0	0	0	112.2	G866 L870	G866-F868 PolarHBondContact O-N 3.13Å; F868-L870 HydrophobicContact CD1-CD1 4.01Å; F868-L870 HydrophobicContact CE1-CD1 3.85Å
869	N	24.1	Very low	27.3	Very low	81 Å²	81	123.7 Å²	123.7	43%	0.433	70%	0.696	S	S	.	*			trans	-89	106.9	176.9	-167.9	32.8	0	0	0	109.3	R632 N867 E871	R632-N869 PolarHBondContact NH2-OD1 2.83Å; N867-N869 PolarHBondContact O-N 3.2Å; N869-E871 PolarHBondContact ND2-OE1 3.08Å; N869-E871 VanDerWaalsContact ND2-OE1 3.07Å; N869-E871 PolarHBondContact O-N 2.76Å
870	L	28	Very low	27.5	Very low	115 Å²	115	121.6 Å²	121.6	60%	0.602	68%	0.684	S	S	*	*			trans	-69.5	77.9	156.1	-82.4	86.2	0	0	0	108.3	F868 L872	F868-L870 HydrophobicContact CD1-CD1 4.01Å; F868-L870 HydrophobicContact CE1-CD1 3.85Å; L870-L872 PolarHBondContact O-N 3.15Å
871	E	26.4	Very low	27.6	Very low	83 Å²	83	123.1 Å²	123.1	39%	0.388	67%	0.674	S	S	.	*			trans	-65	92.5	138.4	-93.5	172.3	-104	0	0	104.7	R277 K299 N869 E873	R277-E871 IonicContact CZ-OE2 3Å; R277-E871 IonicContact NH1-OE2 3.68Å; R277-E871 IonicContact NH2-OE2 2.71Å; R277-E871 PolarHBondContact NH2-OE2 3.32Å; K299-E871 IonicContact NZ-OE1 3.53Å; K299-E871 PolarHBondContact NZ-OE1 2.87Å; K299-E871 IonicContact NZ-OE2 3.28Å; K299-E871 PolarHBondContact NZ-OE2 2.88Å; N869-E871 PolarHBondContact ND2-OE1 3.08Å; N869-E871 VanDerWaalsContact ND2-OE1 3.07Å; N869-E871 PolarHBondContact O-N 2.76Å; E871-E873 VanDerWaalsContact C-N 3.27Å; E871-E873 PolarHBondContact O-N 2.62Å
872	L	31.3	Very low	27.8	Very low	91 Å²	91	120.5 Å²	120.5	48%	0.476	66%	0.661	S	S	.	*			trans	-59	105.5	151	-77.4	169.5	0	0	0	104.2	L870 D874	L870-L872 PolarHBondContact O-N 3.15Å; L872-D874 VanDerWaalsContact C-N 3.32Å; L872-D874 PolarHBondContact O-N 2.7Å
873	E	26.8	Very low	28.4	Very low	149 Å²	149	116.4 Å²	116.4	70%	0.696	65%	0.654	S	S	*	*			trans	-67.8	101.9	168.1	-63.4	-158	122	0	0	105.8	E871 S875	E871-E873 VanDerWaalsContact C-N 3.27Å; E871-E873 PolarHBondContact O-N 2.62Å; E873-S875 PolarHBondContact O-N 2.77Å
874	D	34.4	Very low	28.8	Very low	93 Å²	93	114.4 Å²	114.4	50%	0.497	64%	0.644	S	S	.	*			trans	-61.9	68.7	164.1	-80.6	7.3	0	0	0	107.1	K612 L872 D876	K612-D874 IonicContact NZ-OD2 2.69Å; K612-D874 PolarHBondContact NZ-OD2 2.89Å; L872-D874 VanDerWaalsContact C-N 3.32Å; L872-D874 PolarHBondContact O-N 2.7Å; D874-D876 PolarHBondContact O-N 3.47Å; D874-D876 VanDerWaalsContact O-N 3.16Å
875	S	28.4	Very low	29.2	Very low	85 Å²	85	112.7 Å²	112.7	59%	0.594	63%	0.625	S	S	*	*			trans	-75.9	99.7	175.7	54	0	0	0	0	107.9	E873 E877	E873-S875 PolarHBondContact O-N 2.77Å; S875-E877 PolarHBondContact O-N 3.39Å
876	D	34.6	Very low	30.2	Very low	111 Å²	111	107.3 Å²	107.3	59%	0.594	60%	0.604	S	S	*	*			trans	-63.9	74.8	156.6	-41.2	-116.6	0	0	0	108.3	K246 D874	K246-D876 WeakPolarHBondContact CE-OD2 3.22Å; K246-D876 VanDerWaalsContact NZ-CG 3.27Å; K246-D876 IonicContact NZ-OD1 3.76Å; K246-D876 PolarHBondContact NZ-OD1 3.5Å; K246-D876 IonicContact NZ-OD2 2.67Å; K246-D876 PolarHBondContact NZ-OD2 2.86Å; D874-D876 PolarHBondContact O-N 3.47Å; D874-D876 VanDerWaalsContact O-N 3.16Å
877	E	26.9	Very low	31	Very low	164 Å²	164	107.6 Å²	107.6	77%	0.766	59%	0.586	S	S	*	*			trans	-61.7	154.2	151	-57.5	-148	131.9	0	0	107.7	S875 E879	S875-E877 PolarHBondContact O-N 3.39Å; E877-E879 PolarHBondContact O-N 2.79Å; E877-E879 VanDerWaalsContact O-N 3.1Å
878	D	31.4	Very low	31.9	Very low	152 Å²	152	106.7 Å²	106.7	81%	0.813	58%	0.577	S	S	*	*			trans	-57.1	121.6	-173.9	-90.2	-59.5	0	0	0	110.3	G880 L881	D878-G880 PolarHBondContact O-N 2.99Å; D878-L881 PolarHBondContact O-N 2.87Å
879	E	35.6	Very low	32.9	Very low	163 Å²	163	104.3 Å²	104.3	76%	0.762	57%	0.568	S	S	*	*	S	Bend	trans	-69	42.7	162.3	-71.8	-165.5	169	0	0	111.2	Q548 E877	Q548-E879 PolarHBondContact NE2-OE2 2.7Å; Q548-E879 VanDerWaalsContact NE2-OE2 3.08Å; E877-E879 PolarHBondContact O-N 2.79Å; E877-E879 VanDerWaalsContact O-N 3.1Å
880	G	31.7	Very low	34	Very low	58 Å²	58	102.5 Å²	102.5	60%	0.598	56%	0.557	S	S	*	*			trans	-119.3	26.3	167.6	0	0	0	0	0	111	D878 D882	D878-G880 PolarHBondContact O-N 2.99Å; G880-D882 PolarHBondContact O-N 2.99Å
881	L	27.5	Very low	34.8	Very low	107 Å²	107	102.1 Å²	102.1	56%	0.56	55%	0.552	S	S	*	*			trans	-56.1	117.9	149.3	-73.2	173.7	0	0	0	106.8	D878 D885 T886	D878-L881 PolarHBondContact O-N 2.87Å; L881-D885 HydrophobicContact CD2-CB 4.14Å; L881-T886 HydrophobicContact CD1-CG2 4.19Å
882	D	28.4	Very low	35.7	Very low	121 Å²	121	104.7 Å²	104.7	65%	0.647	56%	0.563	S	S	*	*			trans	-60.8	148.9	169.2	-88.1	-48.8	0	0	0	108.5	G880 A884 D885	G880-D882 PolarHBondContact O-N 2.99Å; D882-A884 PolarHBondContact O-N 3.02Å; D882-D885 PolarHBondContact O-N 3.18Å
883	A	35.3	Very low	36.5	Very low	68 Å²	68	104.4 Å²	104.4	56%	0.562	56%	0.561	S	S	*	*	H	α-helix	trans	-60.2	-15.7	-178.7	0	0	0	0	0	113	E887	A883-E887 VanDerWaalsContact O-CB 3.3Å; A883-E887 WeakPolarHBondContact O-CB 3.4Å; A883-E887 WeakPolarHBondContact O-CG 3.43Å; A883-E887 PolarHBondContact O-N 3.19Å
884	A	32.8	Very low	37.4	Very low	67 Å²	67	98.7 Å²	98.7	55%	0.554	54%	0.535	S	S	*	.	H	α-helix	trans	-66	-47.3	171.6	0	0	0	0	0	112.6	D882 T886 E887 E888	D882-A884 PolarHBondContact O-N 3.02Å; A884-T886 VanDerWaalsContact C-N 3.32Å; A884-T886 PolarHBondContact O-N 3.2Å; A884-E887 CarbonylContact O-C 3.39Å; A884-E887 PolarHBondContact O-N 3.49Å; A884-E888 WeakPolarHBondContact O-CB 3.2Å; A884-E888 PolarHBondContact O-N 3.26Å
885	D	33.9	Very low	37.7	Very low	81 Å²	81	97.9 Å²	97.9	43%	0.433	53%	0.533	S	S	.	.	H	α-helix	trans	-66.4	-37.3	-175.7	-63.1	-2.8	0	0	0	111	L881 D882 E888 E889	L881-D885 HydrophobicContact CD2-CB 4.14Å; D882-D885 PolarHBondContact O-N 3.18Å; D885-E888 PolarHBondContact O-N 3.23Å; D885-E889 PolarHBondContact O-N 3.32Å
886	T	43.2	Very low	38.2	Very low	58 Å²	58	99.6 Å²	99.6	36%	0.356	53%	0.532	S	S	.	.	H	α-helix	trans	-75.2	-35	174	27.4	0	0	0	0	112.9	L881 A884 E888 E890	L881-T886 HydrophobicContact CD1-CG2 4.19Å; A884-T886 VanDerWaalsContact C-N 3.32Å; A884-T886 PolarHBondContact O-N 3.2Å; T886-E888 VanDerWaalsContact C-N 3.29Å; T886-E890 WeakPolarHBondContact O-CB 3.47Å; T886-E890 WeakPolarHBondContact O-CG 3.5Å; T886-E890 PolarHBondContact O-N 3.49Å
887	E	43.3	Very low	38.4	Very low	79 Å²	79	97.7 Å²	97.7	37%	0.369	52%	0.522	S	S	.	.	H	α-helix	trans	-66.1	-30.6	168.9	-79.3	-170.7	-168.8	0	0	111.8	K456 A883 A884 Q891	K456-E887 IonicContact NZ-OE1 2.8Å; K456-E887 PolarHBondContact NZ-OE1 2.95Å; K456-E887 IonicContact NZ-OE2 2.86Å; K456-E887 PolarHBondContact NZ-OE2 3.32Å; A883-E887 VanDerWaalsContact O-CB 3.3Å; A883-E887 WeakPolarHBondContact O-CB 3.4Å; A883-E887 WeakPolarHBondContact O-CG 3.43Å; A883-E887 PolarHBondContact O-N 3.19Å; A884-E887 CarbonylContact O-C 3.39Å; A884-E887 PolarHBondContact O-N 3.49Å; E887-Q891 VanDerWaalsContact O-CB 3.25Å; E887-Q891 WeakPolarHBondContact O-CB 3.47Å; E887-Q891 WeakPolarHBondContact O-CG 3.45Å; E887-Q891 PolarHBondContact O-N 2.99Å; E887-Q891 PolarHBondContact O-NE2 2.99Å
888	E	42.4	Very low	38.9	Very low	134 Å²	134	96.3 Å²	96.3	63%	0.626	52%	0.515	S	S	*	.	H	α-helix	trans	-74.2	-42.4	177.1	-168.3	172.7	-139.6	0	0	112.2	A884 D885 T886 Q891 K892	A884-E888 WeakPolarHBondContact O-CB 3.2Å; A884-E888 PolarHBondContact O-N 3.26Å; D885-E888 PolarHBondContact O-N 3.23Å; T886-E888 VanDerWaalsContact C-N 3.29Å; E888-Q891 PolarHBondContact O-N 3.4Å; E888-K892 VanDerWaalsContact O-CB 3.27Å; E888-K892 WeakPolarHBondContact O-CB 3.46Å; E888-K892 PolarHBondContact O-N 2.88Å
889	E	44.5	Very low	39.1	Very low	130 Å²	130	96 Å²	96	61%	0.607	51%	0.513	S	S	*	.	H	α-helix	trans	-66.8	-40.7	171.9	-70.6	-155.6	137.6	0	0	112.6	D885 Q891 K892 L893	D885-E889 PolarHBondContact O-N 3.32Å; E889-Q891 PolarHBondContact O-N 2.91Å; E889-K892 PolarHBondContact O-N 3.14Å; E889-L893 WeakPolarHBondContact O-CG 3.4Å; E889-L893 PolarHBondContact O-N 2.76Å
890	E	48.2	Very low	39	Very low	44 Å²	44	95.6 Å²	95.6	21%	0.206	52%	0.516	C	S	.	.	H	α-helix	trans	-60.4	-43.5	172.7	-77.4	-176.3	-175.1	0	0	111.2	K424 T886 L894	K424-E890 IonicContact NZ-OE1 2.71Å; K424-E890 PolarHBondContact NZ-OE1 3.07Å; K424-E890 IonicContact NZ-OE2 3.74Å; K424-E890 PolarHBondContact NZ-OE2 3.22Å; T886-E890 WeakPolarHBondContact O-CB 3.47Å; T886-E890 WeakPolarHBondContact O-CG 3.5Å; T886-E890 PolarHBondContact O-N 3.49Å; E890-L894 WeakPolarHBondContact O-CB 3.18Å; E890-L894 WeakPolarHBondContact O-CD1 3.25Å; E890-L894 WeakPolarHBondContact O-CG 3.29Å; E890-L894 PolarHBondContact O-N 3.08Å
891	Q	44.6	Very low	39	Very low	106 Å²	106	96 Å²	96	50%	0.495	52%	0.52	S	S	.	.	H	α-helix	trans	-62.5	-40.9	174.7	-79.9	167.7	60.2	0	0	112.6	E887 E888 E889 L894 T895	E887-Q891 VanDerWaalsContact O-CB 3.25Å; E887-Q891 WeakPolarHBondContact O-CB 3.47Å; E887-Q891 WeakPolarHBondContact O-CG 3.45Å; E887-Q891 PolarHBondContact O-N 2.99Å; E887-Q891 PolarHBondContact O-NE2 2.99Å; E888-Q891 PolarHBondContact O-N 3.4Å; E889-Q891 PolarHBondContact O-N 2.91Å; Q891-L894 CarbonylContact O-C 3.56Å; Q891-L894 PolarHBondContact O-N 3.26Å; Q891-T895 WeakPolarHBondContact O-CB 3.48Å; Q891-T895 PolarHBondContact O-N 2.99Å; Q891-T895 PolarHBondContact O-OG1 2.93Å
892	K	45.7	Very low	39.1	Very low	138 Å²	138	96.5 Å²	96.5	60%	0.6	53%	0.532	S	S	*	.	H	α-helix	trans	-66.1	-43.9	-178.8	-167.2	173.6	-175.6	177.4	0	111.8	E888 E889 T895 E896	E888-K892 VanDerWaalsContact O-CB 3.27Å; E888-K892 WeakPolarHBondContact O-CB 3.46Å; E888-K892 PolarHBondContact O-N 2.88Å; E889-K892 PolarHBondContact O-N 3.14Å; K892-T895 PolarHBondContact O-N 2.71Å; K892-E896 PolarHBondContact O-N 3.37Å
893	L	47.7	Very low	39.2	Very low	84 Å²	84	100 Å²	100	44%	0.44	54%	0.542	S	S	.	.	H	α-helix	trans	-63.9	-42.4	172.9	-68.5	168.5	0	0	0	111.8	E889 T895 E896 L897	E889-L893 WeakPolarHBondContact O-CG 3.4Å; E889-L893 PolarHBondContact O-N 2.76Å; L893-T895 PolarHBondContact O-N 2.73Å; L893-E896 PolarHBondContact O-N 3.43Å; L893-L897 WeakPolarHBondContact O-CG 3.27Å; L893-L897 PolarHBondContact O-N 3.46Å; L893-L897 VanDerWaalsContact O-N 3.1Å
894	L	44.9	Very low	38.9	Very low	30 Å²	30	100.3 Å²	100.3	16%	0.157	54%	0.54	C	S	.	.	H	α-helix	trans	-64.7	-26.6	174	-72.6	167	0	0	0	113	E890 Q891 L897 Q898	E890-L894 WeakPolarHBondContact O-CB 3.18Å; E890-L894 WeakPolarHBondContact O-CD1 3.25Å; E890-L894 WeakPolarHBondContact O-CG 3.29Å; E890-L894 PolarHBondContact O-N 3.08Å; Q891-L894 CarbonylContact O-C 3.56Å; Q891-L894 PolarHBondContact O-N 3.26Å; L894-L897 HydrophobicContact CD2-CD1 4.37Å; L894-Q898 PolarHBondContact O-N 3.32Å
895	T	40.4	Very low	38.8	Very low	75 Å²	75	101.9 Å²	101.9	46%	0.46	54%	0.542	S	S	.	.	H	α-helix	trans	-79.4	-39	175.5	-54.3	0	0	0	0	111.7	Q891 K892 L893 L897 Q898	Q891-T895 WeakPolarHBondContact O-CB 3.48Å; Q891-T895 PolarHBondContact O-N 2.99Å; Q891-T895 PolarHBondContact O-OG1 2.93Å; K892-T895 PolarHBondContact O-N 2.71Å; L893-T895 PolarHBondContact O-N 2.73Å; T895-L897 PolarHBondContact O-N 3.36Å; T895-Q898 WeakPolarHBondContact O-CB 3.19Å; T895-Q898 PolarHBondContact O-N 2.97Å
896	E	39.9	Very low	38.6	Very low	122 Å²	122	105.4 Å²	105.4	57%	0.57	56%	0.556	S	S	*	*	H	α-helix	trans	-60.4	-34	170.1	-72.3	-170.9	165	0	0	111.4	K892 L893 Q898 L899	K892-E896 PolarHBondContact O-N 3.37Å; L893-E896 PolarHBondContact O-N 3.43Å; E896-Q898 VanDerWaalsContact C-N 3.27Å; E896-Q898 PolarHBondContact O-N 2.94Å; E896-L899 PolarHBondContact O-N 3.29Å
897	L	38.5	Very low	38.1	Very low	71 Å²	71	110.4 Å²	110.4	37%	0.372	57%	0.573	S	S	.	*	H	α-helix	trans	-67.3	-19.3	172.9	-70	169.8	0	0	0	114.4	H404 L893 L894 T895	H404-L897 WeakPolarHBondContact ND1-CD2 3.44Å; L893-L897 WeakPolarHBondContact O-CG 3.27Å; L893-L897 PolarHBondContact O-N 3.46Å; L893-L897 VanDerWaalsContact O-N 3.1Å; L894-L897 HydrophobicContact CD2-CD1 4.37Å; T895-L897 PolarHBondContact O-N 3.36Å
898	Q	36.8	Very low	37.5	Very low	135 Å²	135	110.3 Å²	110.3	63%	0.631	58%	0.581	S	S	*	*	H	α-helix	trans	-76.3	-26.2	174.1	-69.2	177.8	-40.7	0	0	113	L894 T895 E896 N900	L894-Q898 PolarHBondContact O-N 3.32Å; T895-Q898 WeakPolarHBondContact O-CB 3.19Å; T895-Q898 PolarHBondContact O-N 2.97Å; E896-Q898 VanDerWaalsContact C-N 3.27Å; E896-Q898 PolarHBondContact O-N 2.94Å; Q898-N900 VanDerWaalsContact C-N 3.32Å; Q898-N900 PolarHBondContact O-N 3.04Å
899	L	37	Very low	37	Very low	146 Å²	146	108.9 Å²	108.9	76%	0.764	58%	0.577	S	S	*	*	H	α-helix	trans	-73.3	-21.7	-174.8	-73.6	165.1	0	0	0	113.5	E896	E896-L899 PolarHBondContact O-N 3.29Å
900	N	32.2	Very low	36.4	Very low	154 Å²	154	107 Å²	107	82%	0.824	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	38.8	179	-72	-28.7	0	0	0	112.9	Q898 S902	Q898-N900 VanDerWaalsContact C-N 3.32Å; Q898-N900 PolarHBondContact O-N 3.04Å; N900-S902 PolarHBondContact O-N 3.49Å
901	G	32.7	Very low	35.7	Very low	66 Å²	66	111 Å²	111	68%	0.68	59%	0.593	S	S	*	*			trans	-75.3	120.1	-172.6	0	0	0	0	0	115.7
902	S	28.3	Very low	35.2	Very low	118 Å²	118	108.7 Å²	108.7	83%	0.825	59%	0.589	S	S	*	*			trans	-169.7	88.9	151.6	169.9	0	0	0	0	112.8	N900	N900-S902 PolarHBondContact O-N 3.49Å
903	F	31.1	Very low	34.4	Very low	195 Å²	195	107.8 Å²	107.8	86%	0.855	59%	0.59	S	S	*	*			trans	-143.1	140	161.2	-151	-102.8	0	0	0	111.7
904	S	28.8	Very low	33.7	Very low	73 Å²	73	108.8 Å²	108.8	51%	0.51	60%	0.603	S	S	.	*			trans	-126	105.7	-174.4	-176.3	0	0	0	0	111.1	Q906 K907	S904-Q906 VanDerWaalsContact C-N 3.25Å; S904-Q906 PolarHBondContact O-N 2.95Å; S904-K907 PolarHBondContact O-N 2.96Å
905	V	30.6	Very low	33.1	Very low	100 Å²	100	117.5 Å²	117.5	61%	0.606	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-29.9	-171.4	-178.4	0	0	0	0	113	K907 S908 L909	V905-K907 PolarHBondContact O-N 3.36Å; V905-K907 VanDerWaalsContact O-N 3.16Å; V905-S908 PolarHBondContact O-N 3.39Å; V905-S908 VanDerWaalsContact O-N 3.17Å; V905-L909 HydrophobicContact CG1-CD1 4.25Å
906	Q	29.6	Very low	32.7	Very low	156 Å²	156	124.8 Å²	124.8	73%	0.729	65%	0.652	S	S	*	*	H	α-helix	trans	-60.6	-26.7	-177.1	-71.5	-175	-23.2	0	0	114.4	S904 T910	S904-Q906 VanDerWaalsContact C-N 3.25Å; S904-Q906 PolarHBondContact O-N 2.95Å; Q906-T910 PolarHBondContact O-N 3.49Å; Q906-T910 PolarHBondContact O-OG1 3.49Å
907	K	33.3	Very low	32.2	Very low	163 Å²	163	124.8 Å²	124.8	71%	0.709	66%	0.661	S	S	*	*	H	α-helix	trans	-70.3	-38.7	175.8	-87.3	-174.4	172.5	179.9	0	113.7	S904 V905 T910 E911	S904-K907 PolarHBondContact O-N 2.96Å; V905-K907 PolarHBondContact O-N 3.36Å; V905-K907 VanDerWaalsContact O-N 3.16Å; K907-T910 WeakPolarHBondContact CA-OG1 3.32Å; K907-T910 PolarHBondContact O-N 3.47Å; K907-T910 PolarHBondContact O-OG1 3.5Å; K907-E911 PolarHBondContact O-N 3.01Å
908	S	31.1	Very low	31.6	Very low	76 Å²	76	125.1 Å²	125.1	53%	0.531	68%	0.681	S	S	.	*	H	α-helix	trans	-71.9	-36.5	-177.3	-168.1	0	0	0	0	112.1	V905 T910 S912	V905-S908 PolarHBondContact O-N 3.39Å; V905-S908 VanDerWaalsContact O-N 3.17Å; S908-T910 VanDerWaalsContact C-N 3.33Å; S908-T910 PolarHBondContact O-N 2.7Å; S908-S912 WeakPolarHBondContact O-CB 3.22Å; S908-S912 PolarHBondContact O-N 3.38Å; S908-S912 VanDerWaalsContact O-N 3.08Å; S908-S912 PolarHBondContact O-OG 2.87Å
909	L	31.2	Very low	31.1	Very low	105 Å²	105	125.1 Å²	125.1	55%	0.55	69%	0.691	S	S	.	*	H	α-helix	trans	-65.3	-33.8	173.8	-74.4	166.4	0	0	0	112.5	V905 S912 L913	V905-L909 HydrophobicContact CG1-CD1 4.25Å; L909-S912 WeakPolarHBondContact CA-OG 3.22Å; L909-S912 PolarHBondContact O-OG 3.24Å; L909-L913 WeakPolarHBondContact O-CD1 3.32Å; L909-L913 PolarHBondContact O-N 2.94Å; L909-L913 VanDerWaalsContact O-N 3.13Å
910	T	32.4	Very low	30.6	Very low	89 Å²	89	122.8 Å²	122.8	55%	0.546	69%	0.686	S	S	.	*	H	α-helix	trans	-74.8	-39.4	177.7	33.6	0	0	0	0	112.9	Q906 K907 S908 C914	Q906-T910 PolarHBondContact O-N 3.49Å; Q906-T910 PolarHBondContact O-OG1 3.49Å; K907-T910 WeakPolarHBondContact CA-OG1 3.32Å; K907-T910 PolarHBondContact O-N 3.47Å; K907-T910 PolarHBondContact O-OG1 3.5Å; S908-T910 VanDerWaalsContact C-N 3.33Å; S908-T910 PolarHBondContact O-N 2.7Å; T910-C914 WeakPolarHBondContact O-CB 3.47Å; T910-C914 PolarHBondContact O-N 3.27Å; T910-C914 VanDerWaalsContact O-N 3.15Å; T910-C914 PolarHBondContact O-SG 3.07Å
911	E	33.7	Very low	30.3	Very low	130 Å²	130	122.2 Å²	122.2	61%	0.607	68%	0.683	S	S	*	*	H	α-helix	trans	-67	-35.8	174	-75.4	-163.6	104.2	0	0	113.1	K907 R915	K907-E911 PolarHBondContact O-N 3.01Å; E911-R915 PolarHBondContact O-N 2.62Å
912	S	33.1	Very low	30	Very low	56 Å²	56	126 Å²	126	39%	0.392	69%	0.687	S	S	.	*	H	α-helix	trans	-75	-34.4	-179.6	52	0	0	0	0	113.5	S908 L909	S908-S912 WeakPolarHBondContact O-CB 3.22Å; S908-S912 PolarHBondContact O-N 3.38Å; S908-S912 VanDerWaalsContact O-N 3.08Å; S908-S912 PolarHBondContact O-OG 2.87Å; L909-S912 WeakPolarHBondContact CA-OG 3.22Å; L909-S912 PolarHBondContact O-OG 3.24Å
913	L	30.2	Very low	29.9	Very low	119 Å²	119	126.2 Å²	126.2	62%	0.623	68%	0.679	S	S	*	*	H	α-helix	trans	-67.4	-44	169.7	-97.6	74.6	0	0	0	112.1	L909 R915 R916	L909-L913 WeakPolarHBondContact O-CD1 3.32Å; L909-L913 PolarHBondContact O-N 2.94Å; L909-L913 VanDerWaalsContact O-N 3.13Å; L913-R915 PolarHBondContact O-N 3.37Å; L913-R916 PolarHBondContact O-N 3.36Å
914	C	31.1	Very low	29.7	Very low	106 Å²	106	124.8 Å²	124.8	72%	0.716	68%	0.675	S	S	*	*	H	α-helix	trans	-58.9	-20.2	179.2	-83.5	0	0	0	0	114.2	T910	T910-C914 WeakPolarHBondContact O-CB 3.47Å; T910-C914 PolarHBondContact O-N 3.27Å; T910-C914 VanDerWaalsContact O-N 3.15Å; T910-C914 PolarHBondContact O-SG 3.07Å
915	R	32.9	Very low	29.5	Very low	213 Å²	213	126.6 Å²	126.6	80%	0.804	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-1.6	174.8	-68.5	-175.1	-175	-165.3	4.2	114.8	E911 L913	E911-R915 PolarHBondContact O-N 2.62Å; L913-R915 PolarHBondContact O-N 3.37Å
916	R	32.3	Very low	29.4	Very low	227 Å²	227	125.7 Å²	125.7	86%	0.857	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.7	-5.2	-176.5	-80.3	-173.7	170	177.5	-0.8	116	L913	L913-R916 PolarHBondContact O-N 3.36Å
917	T	29.5	Very low	29.2	Very low	123 Å²	123	126.4 Å²	126.4	76%	0.755	70%	0.699	S	S	*	*			trans	-126.4	99.9	177.2	54.3	0	0	0	0	111.3
918	G	26.1	Very low	28.8	Very low	77 Å²	77	122 Å²	122	79%	0.794	70%	0.701	S	S	*	*			trans	-155.6	66.5	-175.3	0	0	0	0	0	114
919	V	26.1	Very low	28.6	Very low	136 Å²	136	124.9 Å²	124.9	82%	0.824	72%	0.715	S	S	*	*			trans	-141.5	150.7	172.4	-177.9	0	0	0	0	109.5
920	S	25.8	Very low	28.5	Very low	96 Å²	96	123.7 Å²	123.7	67%	0.671	72%	0.721	S	S	*	*			trans	74.2	119.3	171.8	31.6	0	0	0	0	119.5
921	D	26	Very low	28.2	Very low	143 Å²	143	126 Å²	126	77%	0.765	73%	0.73	S	S	*	*			trans	80.9	138.2	134.8	-58.3	1.4	0	0	0	121.7
922	L	26.8	Very low	27.9	Very low	144 Å²	144	130 Å²	130	75%	0.754	74%	0.739	S	S	*	*			cis	-162.4	141.9	-16.3	-117	169.1	0	0	0	112.3
923	D	26.1	Very low	27.6	Very low	124 Å²	124	133.3 Å²	133.3	66%	0.663	76%	0.757	S	S	*	*			trans	75.7	153.7	142.9	-151.5	21.4	0	0	0	123.4
924	Q	26.7	Very low	27.3	Very low	164 Å²	164	132.3 Å²	132.3	77%	0.766	77%	0.766	S	S	*	*			trans	72.5	127	163.9	-44.2	-165.5	9.3	0	0	118
925	S	25.3	Very low	27.1	Very low	112 Å²	112	134 Å²	134	78%	0.783	77%	0.768	S	S	*	*			cis	-162.8	154.2	12.8	63	0	0	0	0	116.3
926	A	27.8	Very low	26.8	Very low	81 Å²	81	132.3 Å²	132.3	67%	0.669	77%	0.769	S	S	*	*			trans	84.3	126.4	140.1	0	0	0	0	0	123.7
927	N	26.2	Very low	26.6	Very low	170 Å²	170	126.7 Å²	126.7	91%	0.909	77%	0.765	S	S	*	*			trans	76.7	132.7	150	-57.3	-24.1	0	0	0	120.5
928	G	25.6	Very low	26.4	Very low	71 Å²	71	125 Å²	125	73%	0.732	76%	0.763	S	S	*	*			trans	-179.7	-24.1	177	0	0	0	0	0	120
929	T	26.9	Very low	26.4	Very low	136 Å²	136	128.3 Å²	128.3	83%	0.834	76%	0.763	S	S	*	*			trans	55.8	96.1	160.5	-47.3	0	0	0	0	120.8
930	A	27	Very low	26.4	Very low	81 Å²	81	130.2 Å²	130.2	67%	0.669	76%	0.762	S	S	*	*			trans	60.4	132.5	138.6	0	0	0	0	0	123
931	N	26.6	Very low	26.4	Very low	138 Å²	138	130.9 Å²	130.9	74%	0.738	77%	0.767	S	S	*	*				156.8	145.8	94.7	-111.9	-42.7	0	0	0	114.9
932	R	27.8	Very low	26.5	Very low	214 Å²	214	128.3 Å²	128.3	81%	0.808	77%	0.766	S	S	*	*			trans	61.3	121.5	155	-64.6	177.3	-179.5	-179.2	-2	118.5
933	T	26.2	Very low	26.4	Very low	125 Å²	125	128 Å²	128	77%	0.767	77%	0.765	S	S	*	*			cis	94	115.3	36.8	65	0	0	0	0	115.4
934	A	25.6	Very low	26.4	Very low	98 Å²	98	130.3 Å²	130.3	81%	0.81	77%	0.772	S	S	*	*			trans	68	160.7	162.3	0	0	0	0	0	116.1
935	N	25.8	Very low	26.3	Very low	142 Å²	142	127.6 Å²	127.6	76%	0.759	77%	0.771	S	S	*	*			cis	-153.8	-176.7	12.4	-158.8	30	0	0	0	113.2
936	E	27.4	Very low	26.4	Very low	176 Å²	176	126.3 Å²	126.3	82%	0.822	77%	0.767	S	S	*	*			trans	91.2	154.2	159.8	-66	179.4	-176.4	0	0	119.7
937	S	26.7	Very low	26.3	Very low	110 Å²	110	128.9 Å²	128.9	77%	0.769	77%	0.769	S	S	*	*			trans	-162.4	137.7	-147.5	58.7	0	0	0	0	115.5
938	A	26.7	Very low	26.4	Very low	87 Å²	87	128 Å²	128	72%	0.719	76%	0.76	S	S	*	*			trans	68.9	162.7	138.4	0	0	0	0	0	121.5
939	N	25.6	Very low	26.5	Very low	146 Å²	146	129.5 Å²	129.5	78%	0.781	76%	0.759	S	S	*	*			trans	67.7	155	-179.5	-69.7	16.9	0	0	0	115.5
940	E	26	Very low	26.5	Very low	176 Å²	176	128.5 Å²	128.5	82%	0.822	75%	0.753	S	S	*	*			cis	-141.2	-175	14.6	-153	147.8	-112.3	0	0	113
941	S	25.4	Very low	26.4	Very low	111 Å²	111	131 Å²	131	78%	0.776	76%	0.755	S	S	*	*			trans	-151.9	150.1	-170.6	63.6	0	0	0	0	116.2
942	A	27.6	Very low	26.5	Very low	89 Å²	89	134.6 Å²	134.6	74%	0.736	76%	0.758	S	S	*	*			trans	87.3	164.4	159.4	0	0	0	0	0	120.1
943	N	25.2	Very low	26.5	Very low	136 Å²	136	130.7 Å²	130.7	73%	0.727	76%	0.758	S	S	*	*			trans	70.2	152	177.1	-66.8	26.1	0	0	0	116.1
944	E	26.2	Very low	26.6	Very low	174 Å²	174	128.2 Å²	128.2	81%	0.813	75%	0.751	S	S	*	*			cis	-150.8	-169.5	1.9	-135.8	157.3	-129.1	0	0	112.7
945	S	24.7	Very low	26.7	Very low	107 Å²	107	130 Å²	130	75%	0.748	75%	0.747	S	S	*	*			trans	-127.4	155.3	-170.7	60.2	0	0	0	0	114.3
946	A	27.3	Very low	26.8	Very low	84 Å²	84	130.9 Å²	130.9	69%	0.694	75%	0.746	S	S	*	*			trans	153	151.5	132.1	0	0	0	0	0	116.6
947	N	25.7	Very low	26.9	Very low	135 Å²	135	127.3 Å²	127.3	72%	0.722	74%	0.74	S	S	*	*			trans	64.4	151.3	141.4	-76	39.6	0	0	0	121.6
948	E	27.9	Very low	27	Very low	153 Å²	153	126.3 Å²	126.3	72%	0.715	74%	0.739	S	S	*	*			cis	-165.6	147.4	-14.6	-135.7	-178.1	137.5	0	0	113.1
949	S	27.2	Very low	26.9	Very low	101 Å²	101	127.9 Å²	127.9	71%	0.706	74%	0.735	S	S	*	*			trans	65.4	147.9	148.6	84.2	0	0	0	0	119
950	T	27.6	Very low	27	Very low	116 Å²	116	128.4 Å²	128.4	71%	0.712	73%	0.733	S	S	*	*			cis	-135.7	-161.6	11.8	52.2	0	0	0	0	109.1
951	N	26.2	Very low	26.9	Very low	133 Å²	133	124.6 Å²	124.6	71%	0.711	73%	0.726	S	S	*	*			cis	-157.7	-162.7	10.3	-140.4	-50.9	0	0	0	113.9
952	R	27.6	Very low	26.9	Very low	214 Å²	214	123.5 Å²	123.5	81%	0.808	72%	0.724	S	S	*	*			trans	-92.6	167.7	-175.3	-73.4	165.5	-177.9	175.4	1.4	113.3
953	T	27.8	Very low	26.8	Very low	132 Å²	132	125.4 Å²	125.4	81%	0.81	72%	0.722	S	S	*	*			cis	-167.9	166.8	8.8	11.5	0	0	0	0	108.2
954	A	28.6	Very low	26.9	Very low	73 Å²	73	126.7 Å²	126.7	60%	0.603	72%	0.723	S	S	*	*			cis	177.9	173.6	-30.6	0	0	0	0	0	109.9
955	N	27.7	Very low	26.8	Very low	136 Å²	136	123.4 Å²	123.4	73%	0.727	72%	0.72	S	S	*	*			trans	70.7	145.9	165.8	-65.5	27.4	0	0	0	117.6
956	E	28.2	Very low	26.9	Very low	159 Å²	159	122.7 Å²	122.7	74%	0.743	72%	0.72	S	S	*	*			cis	-149.4	163.1	7	-134.2	154.3	-129.4	0	0	114.6
957	S	28.3	Very low	26.8	Very low	101 Å²	101	126.3 Å²	126.3	71%	0.706	73%	0.727	S	S	*	*			trans	-10.3	159.3	161.7	53.2	0	0	0	0	121.8
958	A	29.1	Very low	26.8	Very low	90 Å²	90	129.1 Å²	129.1	74%	0.744	74%	0.736	S	S	*	*			cis	-173.5	-172.5	-10.8	0	0	0	0	0	107
959	N	25.5	Very low	26.7	Very low	119 Å²	119	126.6 Å²	126.6	64%	0.636	74%	0.735	S	S	*	*			cis	-162.9	162.6	15.9	-157.3	21.3	0	0	0	111.6
960	E	26.9	Very low	26.7	Very low	158 Å²	158	129.3 Å²	129.3	74%	0.738	74%	0.74	S	S	*	*			trans	46	159.9	151.5	-79.2	157.1	-155.4	0	0	122.4
961	S	24.8	Very low	26.6	Very low	96 Å²	96	129.4 Å²	129.4	67%	0.671	74%	0.741	S	S	*	*			cis	-173	134.5	-37.4	55.4	0	0	0	0	110.4
962	A	25.8	Very low	26.5	Very low	88 Å²	88	126.9 Å²	126.9	73%	0.727	75%	0.746	S	S	*	*			trans	58.7	161.5	134	0	0	0	0	0	122.9
963	N	24.5	Very low	26.4	Very low	129 Å²	129	122 Å²	122	69%	0.69	74%	0.74	S	S	*	*			trans	67.6	150.6	171	-75.3	26.7	0	0	0	116.3
964	E	26.7	Very low	26.3	Very low	162 Å²	162	124.7 Å²	124.7	76%	0.757	74%	0.741	S	S	*	*			cis	-151.3	-171.6	-2.6	-134.1	157.3	174.9	0	0	113.8
965	S	25.4	Very low	26.2	Very low	106 Å²	106	132.8 Å²	132.8	74%	0.741	76%	0.756	S	S	*	*			trans	-53	169.1	170.6	60.3	0	0	0	0	114.6
966	A	26.6	Very low	26	Very low	91 Å²	91	136.6 Å²	136.6	75%	0.752	77%	0.765	S	S	*	*			cis	-158.9	171.3	32.1	0	0	0	0	0	115.4
967	N	25.3	Very low	25.9	Very low	160 Å²	160	140.6 Å²	140.6	86%	0.856	77%	0.774	S	S	*	*			trans	-69.4	148.5	160.5	-52.6	-62.5	0	0	0	110
968	E	26.1	Very low	25.7	Very low	194 Å²	194	140.5 Å²	140.5	91%	0.907	78%	0.779	S	S	*	*				-151.5	146.6	120.2	-132.1	174.7	-159.9	0	0	112.9
969	S	25.3	Very low	25.5	Very low	100 Å²	100	140.2 Å²	140.2	70%	0.699	78%	0.777	S	S	*	*			trans	-133.2	138.3	174	62	0	0	0	0	107.2
970	I	26	Very low	25.5	Very low	158 Å²	158	140.9 Å²	140.9	81%	0.81	79%	0.785	S	S	*	*			trans	-169.4	126.7	148.5	-103.1	147.3	0	0	0	113.3
971	V	25.7	Very low	25.4	Very low	119 Å²	119	139.9 Å²	139.9	72%	0.721	78%	0.783	S	S	*	*			trans	14.9	125.8	145.8	-166.5	0	0	0	0	120.2	T973	V971-T973 HydrophobicContact CG1-CG2 4.06Å
972	G	25.4	Very low	25.6	Very low	79 Å²	79	144.1 Å²	144.1	81%	0.814	79%	0.786	S	S	*	*			trans	-141.8	125.3	152.5	0	0	0	0	0	110.8
973	T	25.8	Very low	25.5	Very low	112 Å²	112	145.5 Å²	145.5	69%	0.687	78%	0.781	S	S	*	*			trans	-128.7	150.3	-169.3	50.4	0	0	0	0	115.9	V971	V971-T973 HydrophobicContact CG1-CG2 4.06Å
974	K	24.3	Very low	25.6	Very low	189 Å²	189	144.7 Å²	144.7	82%	0.822	79%	0.785	S	S	*	*			trans	73.1	114.5	156.2	-70.1	161	-178.6	171	0	119.9
975	R	27.7	Very low	25.6	Very low	243 Å²	243	143.5 Å²	143.5	92%	0.917	78%	0.784	S	S	*	*				19.8	131.1	125.8	-66.8	178.2	171.9	177.3	-3.2	118.3
976	K	23.4	Very low	25.6	Very low	215 Å²	215	146.7 Å²	146.7	94%	0.935	79%	0.787	S	S	*	*				-160.2	171.7	116.8	-111.6	172	-177.1	-176.4	0	113.3
977	R	25.1	Very low	25.5	Very low	243 Å²	243	151.1 Å²	151.1	92%	0.917	79%	0.792	S	S	*	*			trans	-103.4	175.1	-174.6	-76.1	177.2	162.7	178.1	-7.1	111.7
978	A	24.1	Very low	25.4	Very low	100 Å²	100	151.4 Å²	151.4	83%	0.826	79%	0.789	S	S	*	*			trans	88.8	145.9	148.9	0	0	0	0	0	117.1
979	A	25.2	Very low	25.4	Very low	83 Å²	83	150.4 Å²	150.4	69%	0.686	78%	0.784	S	S	*	*			cis	-174.3	-163.5	-16.6	0	0	0	0	0	108.4
980	V	25	Very low	25.4	Very low	133 Å²	133	153.6 Å²	153.6	81%	0.806	79%	0.788	S	S	*	*			trans	78.2	136.4	146.2	141.5	0	0	0	0	115
981	I	25.9	Very low	25.3	Very low	137 Å²	137	152.6 Å²	152.6	70%	0.703	78%	0.783	S	S	*	*			cis	-153.3	157.4	7.8	-113.8	170.5	0	0	0	110.7
982	Y	28.1	Very low	25.2	Very low	186 Å²	186	154.3 Å²	154.3	73%	0.729	79%	0.787	S	S	*	*			trans	2	171.5	153.5	-73.8	-92.4	0	0	0	122.8
983	D	24.7	Very low	25.1	Very low	116 Å²	116	153.8 Å²	153.8	62%	0.62	78%	0.782	S	S	*	*			cis	-158.3	155.8	22.2	-138.8	-34.8	0	0	0	115.8
984	S	25.5	Very low	24.9	Very low	112 Å²	112	153.8 Å²	153.8	78%	0.783	79%	0.786	S	S	*	*			trans	158.9	116.8	130.3	-65.6	0	0	0	0	111.3
985	D	26.6	Very low	24.9	Very low	137 Å²	137	153.4 Å²	153.4	73%	0.733	79%	0.785	S	S	*	*			trans	-83.5	-170.9	175.6	-50	-65.2	0	0	0	111.4
986	E	25.1	Very low	24.8	Very low	174 Å²	174	149.8 Å²	149.8	81%	0.813	78%	0.778	S	S	*	*			cis	-146.5	142.7	46.8	-72.5	-177.9	154.9	0	0	114.5
987	E	24.8	Very low	24.9	Very low	183 Å²	183	145 Å²	145	86%	0.855	77%	0.767	S	S	*	*			trans	42.2	165.3	136.9	-56.7	-166.7	167.7	0	0	124.1
988	E	23.5	Very low	24.9	Very low	167 Å²	167	141.9 Å²	141.9	78%	0.78	77%	0.767	S	S	*	*				-153.3	-167.2	-63.8	-141.1	-163	-158.1	0	0	109.5
989	Q	25.8	Very low	24.9	Very low	172 Å²	172	140.3 Å²	140.3	80%	0.804	76%	0.761	S	S	*	*			trans	-102.2	174	-170.4	-57.6	167.7	11.4	0	0	112.5
990	Q	25.5	Very low	24.9	Very low	167 Å²	167	141.9 Å²	141.9	78%	0.78	77%	0.767	S	S	*	*			trans	140.1	154.4	148.7	-81.2	-179.1	62.1	0	0	113.5
991	L	23.3	Very low	24.8	Very low	137 Å²	137	140.8 Å²	140.8	72%	0.717	77%	0.765	S	S	*	*			cis	-172.4	166.4	-27.8	-139.2	177.2	0	0	0	107.2
992	I	23.8	Very low	24.8	Very low	156 Å²	156	140.6 Å²	140.6	80%	0.8	77%	0.771	S	S	*	*			trans	72.7	141.7	168.4	-46.4	157.4	0	0	0	115.5
993	G	23	Very low	25.3	Very low	68 Å²	68	136.7 Å²	136.7	70%	0.701	77%	0.768	S	S	*	*			cis	127.5	83.2	-18	0	0	0	0	0	118.1
994	S	23	Very low	25.3	Very low	112 Å²	112	140.6 Å²	140.6	78%	0.783	78%	0.779	S	S	*	*			trans	-168.2	129.6	164	57.5	0	0	0	0	118.4
995	F	23.3	Very low	25.2	Very low	181 Å²	181	143.5 Å²	143.5	79%	0.794	78%	0.783	S	S	*	*			trans	38	107.8	140.8	-81.2	-99.1	0	0	0	124.9
996	Q	25.8	Very low	25.2	Very low	166 Å²	166	141.7 Å²	141.7	78%	0.776	78%	0.781	S	S	*	*				58.3	146.8	101.4	-135.7	-175.9	26.7	0	0	123.8
997	V	25.5	Very low	26.2	Very low	114 Å²	114	139 Å²	139	69%	0.691	78%	0.779	S	S	*	*			trans	112.1	109.8	146.6	173.8	0	0	0	0	122
998	L	26	Very low	27	Very low	178 Å²	178	135.1 Å²	135.1	93%	0.932	77%	0.769	S	S	*	*			trans	61.8	154.1	146.3	-64.9	172.7	0	0	0	124.1
999	G	22.8	Very low	27.2	Very low	67 Å²	67	138.8 Å²	138.8	69%	0.691	78%	0.776	S	S	*	*			trans	-161	-72.5	179	0	0	0	0	0	120.1
1000	S	25.4	Very low	27.3	Very low	116 Å²	116	135.1 Å²	135.1	81%	0.811	77%	0.77	S	S	*	*			trans	74.6	154.2	175.7	85.2	0	0	0	0	122.1
1001	S	23.6	Very low	27.3	Very low	111 Å²	111	138.4 Å²	138.4	78%	0.776	78%	0.775	S	S	*	*			trans	99.6	149.3	146.5	-55.1	0	0	0	0	122.1
1002	T	26.6	Very low	27.4	Very low	133 Å²	133	143.1 Å²	143.1	82%	0.816	78%	0.783	S	S	*	*			trans	-111.5	-169.3	-175.5	55	0	0	0	0	109.9
1003	P	37	Very low	27.4	Very low	104 Å²	104	140.4 Å²	140.4	68%	0.675	78%	0.778	S	S	*	*			cis	-155.4	167.8	19.3	45.3	-22.4	0	0	0	122.8
1004	K	25.3	Very low	27.6	Very low	197 Å²	197	142.9 Å²	142.9	86%	0.857	78%	0.779	S	S	*	*			trans	48.7	131.2	138.4	-67.1	173.3	176.6	178.5	0	124
1005	M	24.6	Very low	27.7	Very low	174 Å²	174	144.2 Å²	144.2	86%	0.857	78%	0.783	S	S	*	*				169	166.2	111.3	-83.3	-116.5	64.9	0	0	114.8
1006	S	25.9	Very low	27.8	Very low	99 Å²	99	138.8 Å²	138.8	69%	0.692	78%	0.778	S	S	*	*			trans	-146.5	-169.5	-176.7	-27.1	0	0	0	0	110.2
1007	P	46.2	Very low	27.9	Very low	118 Å²	118	138.6 Å²	138.6	77%	0.766	78%	0.782	S	S	*	*			cis	-122.4	-113.1	-12.9	21.7	6.6	0	0	0	110
1008	P	41.4	Very low	28	Very low	101 Å²	101	140.2 Å²	140.2	66%	0.656	79%	0.792	S	S	*	*			cis	-143.8	166.7	-28.9	41.5	-21.9	0	0	0	119.9
1009	R	28.6	Very low	28	Very low	243 Å²	243	137 Å²	137	92%	0.917	78%	0.784	S	S	*	*			trans	72.5	157.6	150.2	-76.9	172.5	179.4	-173.5	0.8	120.1
1010	S	25.9	Very low	28.2	Very low	96 Å²	96	139.6 Å²	139.6	67%	0.671	79%	0.787	S	S	*	*			cis	-174.2	132.1	-11.2	160.2	0	0	0	0	116.3
1011	R	26.1	Very low	28.3	Very low	235 Å²	235	140.2 Å²	140.2	89%	0.887	79%	0.786	S	S	*	*			trans	42.7	135	144.2	-65.9	-178.4	165.1	-177.9	-3.9	125
1012	R	25.2	Very low	28.3	Very low	237 Å²	237	139.4 Å²	139.4	89%	0.894	78%	0.78	S	S	*	*			trans	124.8	131	145.1	-76.1	-174.8	161.1	167.7	-5.3	112.4
1013	S	24.4	Very low	28.2	Very low	98 Å²	98	139.7 Å²	139.7	69%	0.685	78%	0.776	S	S	*	*			cis	95.3	124.9	22	78.9	0	0	0	0	116.1
1014	V	26.9	Very low	27.6	Very low	121 Å²	121	145.5 Å²	145.5	73%	0.733	79%	0.785	S	S	*	*			trans	149	116.4	139.5	159.8	0	0	0	0	115.8
1015	T	24.9	Very low	27.7	Very low	140 Å²	140	140.9 Å²	140.9	86%	0.859	78%	0.777	S	S	*	*			trans	57.7	159.3	155.3	57.2	0	0	0	0	121.4
1016	G	25.7	Very low	27.8	Very low	67 Å²	67	143.3 Å²	143.3	69%	0.691	78%	0.777	S	S	*	*			cis	-175.4	-177.1	2.2	0	0	0	0	0	115.4
1017	N	27.1	Very low	27.7	Very low	162 Å²	162	144.6 Å²	144.6	87%	0.866	78%	0.775	S	S	*	*			trans	-85.8	155.5	-162.8	-40.4	-18.3	0	0	0	115.5
1018	T	28.7	Very low	26.7	Very low	147 Å²	147	146.4 Å²	146.4	90%	0.902	77%	0.773	S	S	*	*			trans	-152.8	164	138.9	20.4	0	0	0	0	111
1019	S	25.4	Very low	26.1	Very low	110 Å²	110	148.9 Å²	148.9	77%	0.769	78%	0.78	S	S	*	*			trans	-154.1	-169.6	-171	54.1	0	0	0	0	111.9
1020	V	27.9	Very low	25.9	Very low	123 Å²	123	142.6 Å²	142.6	75%	0.745	77%	0.769	S	S	*	*			trans	100.3	114.9	160.2	-179.3	0	0	0	0	119
1021	V	26.3	Very low	25.9	Very low	129 Å²	129	144.2 Å²	144.2	78%	0.782	77%	0.769	S	S	*	*			trans	57.6	132.4	146.3	166.8	0	0	0	0	119
1022	S	24.9	Very low	26	Very low	94 Å²	94	140.1 Å²	140.1	66%	0.657	76%	0.76	S	S	*	*			cis	98.3	141.7	29.1	-173.2	0	0	0	0	115.8
1023	N	23.6	Very low	26.1	Very low	139 Å²	139	134.7 Å²	134.7	74%	0.743	75%	0.748	S	S	*	*			trans	69.5	99.7	170.2	-74	-32.9	0	0	0	121.8
1024	R	25.7	Very low	26.4	Very low	226 Å²	226	134.2 Å²	134.2	85%	0.853	75%	0.745	S	S	*	*				52.4	121.3	104.3	-164.8	-167.3	-158.8	-161.8	8.1	118.9
1025	S	26.5	Very low	26.4	Very low	99 Å²	99	135.7 Å²	135.7	69%	0.692	75%	0.749	S	S	*	*				163.4	158.2	117.9	-75.1	0	0	0	0	116.1
1026	R	26.1	Very low	26.6	Very low	225 Å²	225	136.7 Å²	136.7	85%	0.849	74%	0.744	S	S	*	*			trans	75.7	142.5	146.3	-91.8	-174.3	166.4	165.1	-2.9	118.6
1027	L	24.5	Very low	26.6	Very low	127 Å²	127	139.8 Å²	139.8	67%	0.665	75%	0.745	S	S	*	*			cis	-142.6	135.8	1.4	-88.5	164	0	0	0	107.4
1028	Q	25.5	Very low	26.6	Very low	155 Å²	155	141 Å²	141	72%	0.724	75%	0.745	S	S	*	*				91.7	150.1	67.9	-173.9	172.5	-10.2	0	0	114.9
1029	L	27.8	Very low	26.4	Very low	153 Å²	153	138.9 Å²	138.9	80%	0.801	74%	0.736	S	S	*	*			trans	105.1	130.2	174.8	-56.2	173.3	0	0	0	112.7
1030	V	25.1	Very low	26.6	Very low	112 Å²	112	140.8 Å²	140.8	68%	0.679	74%	0.738	S	S	*	*			cis	-157.2	136.1	7.7	99.2	0	0	0	0	114.4
1031	I	26.8	Very low	26.7	Very low	130 Å²	130	143.3 Å²	143.3	67%	0.667	74%	0.741	S	S	*	*			trans	58.8	106.6	147.8	-67.8	170.3	0	0	0	118.7
1032	Q	27.8	Very low	26.9	Very low	149 Å²	149	146.3 Å²	146.3	70%	0.696	75%	0.747	S	S	*	*				84.8	147.6	79	-80.5	-173.3	-94.3	0	0	113.8
1033	D	27.1	Very low	27.1	Very low	122 Å²	122	150.9 Å²	150.9	65%	0.652	76%	0.758	S	S	*	*			cis	-148.3	135.8	-0.3	-83.9	-37.9	0	0	0	106.7
1034	S	29.4	Very low	27.5	Very low	89 Å²	89	148.2 Å²	148.2	62%	0.622	76%	0.755	S	S	*	*				98.2	119.7	75.3	-54.1	0	0	0	0	115.5
1035	D	27.1	Very low	27.7	Very low	152 Å²	152	146.6 Å²	146.6	81%	0.813	76%	0.757	S	S	*	*			trans	62.4	140.6	152.1	-41.7	-30.9	0	0	0	120.3
1036	E	29.7	Very low	27.8	Very low	160 Å²	160	150.8 Å²	150.8	75%	0.748	76%	0.763	S	S	*	*			cis	-158.7	150.8	3.1	-139.7	-177.8	-128	0	0	112.9
1037	N	25.4	Very low	28	Very low	133 Å²	133	145.4 Å²	145.4	71%	0.711	76%	0.755	S	S	*	*			trans	81.2	138.2	157	-57.8	-45.3	0	0	0	125.3
1038	E	27.2	Very low	28.2	Very low	188 Å²	188	147.3 Å²	147.3	88%	0.879	77%	0.765	S	S	*	*			trans	81.4	136.8	156.1	-73.5	-176.8	165.2	0	0	124.6
1039	S	25.4	Very low	28.3	Very low	101 Å²	101	143.1 Å²	143.1	71%	0.706	76%	0.763	S	S	*	*			trans	70.1	106.8	167	48.2	0	0	0	0	122.6
1040	D	28.1	Very low	28.3	Very low	150 Å²	150	143.7 Å²	143.7	80%	0.802	76%	0.764	S	S	*	*				74.3	132	121.6	-47.8	-24.5	0	0	0	125.7
1041	E	30.8	Very low	28.3	Very low	177 Å²	177	144.4 Å²	144.4	83%	0.827	76%	0.764	S	S	*	*			trans	66.7	111.8	144.8	-67.9	176.9	175.6	0	0	125.4
1042	E	30.5	Very low	28.4	Very low	191 Å²	191	142 Å²	142	89%	0.893	76%	0.759	S	S	*	*				78.6	164.9	126.7	-62.4	-144.6	141.4	0	0	125.7
1043	E	30.1	Very low	28.4	Very low	190 Å²	190	143.4 Å²	143.4	89%	0.888	77%	0.765	S	S	*	*			trans	-95.4	178.8	-169	-82.5	-165.6	167.8	0	0	112
1044	A	30.8	Very low	28.3	Very low	83 Å²	83	145 Å²	145	69%	0.686	77%	0.769	S	S	*	*			cis	-165.4	-177.9	-32.5	0	0	0	0	0	110.2
1045	E	30.8	Very low	28.1	Very low	193 Å²	193	147.8 Å²	147.8	90%	0.902	77%	0.772	S	S	*	*			trans	69.4	170.4	151.7	-118.2	-172.4	-141.8	0	0	122
1046	K	27.3	Very low	28.1	Very low	187 Å²	187	148.9 Å²	148.9	81%	0.813	77%	0.772	S	S	*	*			trans	-179.8	158.5	-156.5	-161.3	-173.8	179.7	176.6	0	112.7
1047	V	32.1	Very low	27.8	Very low	111 Å²	111	146.9 Å²	146.9	67%	0.673	77%	0.771	S	S	*	*			trans	98.2	85.7	155.4	-165.8	0	0	0	0	119.1
1048	L	27.6	Very low	27.8	Very low	167 Å²	167	145.7 Å²	145.7	87%	0.874	78%	0.78	S	S	*	*				35.3	133.8	110.2	-60.3	169.3	0	0	0	122.7
1049	G	27.2	Very low	27.7	Very low	68 Å²	68	140.7 Å²	140.7	70%	0.701	78%	0.778	S	S	*	*			trans	162.7	118.5	149.1	0	0	0	0	0	111.1
1050	M	28.1	Very low	27.7	Very low	164 Å²	164	144.6 Å²	144.6	81%	0.808	79%	0.785	S	S	*	*				60.4	133.6	53.6	-55.9	-166.5	84.2	0	0	114
1051	N	25	Very low	27.6	Very low	127 Å²	127	143 Å²	143	68%	0.679	78%	0.782	S	S	*	*			cis	-170.3	171.5	-2	-112.9	46.5	0	0	0	107.7
1052	S	27.9	Very low	27.4	Very low	80 Å²	80	141.4 Å²	141.4	56%	0.559	78%	0.778	S	S	*	*			cis	173.4	129.9	-28.7	57	0	0	0	0	110.4
1053	E	27.9	Very low	27.1	Very low	178 Å²	178	140.2 Å²	140.2	83%	0.832	77%	0.772	S	S	*	*			trans	-174.1	113.5	164.2	-102.9	148.6	-136.4	0	0	109.2
1054	Q	25.6	Very low	26.8	Very low	156 Å²	156	136.5 Å²	136.5	73%	0.729	76%	0.763	S	S	*	*				78.8	135.5	88.6	-75.5	-178.6	-76	0	0	114.1
1055	E	25.9	Very low	26.4	Very low	148 Å²	148	140.1 Å²	140.1	69%	0.692	77%	0.765	S	S	*	*			cis	-151.6	147.3	12.6	-126.4	161.9	-151	0	0	112.8
1056	E	26.7	Very low	26.1	Very low	175 Å²	175	138.8 Å²	138.8	82%	0.818	76%	0.759	S	S	*	*			trans	25.7	150	135.2	-72	-169.5	-165.9	0	0	123.5
1057	T	23.9	Very low	26	Very low	117 Å²	117	137.5 Å²	137.5	72%	0.718	76%	0.756	S	S	*	*			cis	-146.3	146.8	11.7	54.1	0	0	0	0	114.9
1058	A	25.2	Very low	25.7	Very low	109 Å²	109	140 Å²	140	90%	0.901	76%	0.76	S	S	*	*			trans	37.7	134.6	139.1	0	0	0	0	0	124.4
1059	G	24.1	Very low	25.6	Very low	82 Å²	82	140 Å²	140	85%	0.845	76%	0.756	S	S	*	*			trans	161.6	114.2	156.6	0	0	0	0	0	115.8
1060	E	25.6	Very low	25.5	Very low	183 Å²	183	145.6 Å²	145.6	86%	0.855	76%	0.763	S	S	*	*			trans	-62.6	140.9	-170.6	-72.7	174.6	108.3	0	0	119.1
1061	T	25.6	Very low	25.5	Very low	118 Å²	118	145.9 Å²	145.9	72%	0.724	76%	0.763	S	S	*	*			trans	81.1	133.7	138.8	50.7	0	0	0	0	125.1
1062	L	27.7	Very low	25.4	Very low	142 Å²	142	146.6 Å²	146.6	74%	0.743	77%	0.767	S	S	*	*			trans	86.5	112.5	143.6	-74.9	159.1	0	0	0	123.3
1063	H	24.4	Very low	25.4	Very low	166 Å²	166	149.6 Å²	149.6	77%	0.769	78%	0.776	S	S	*	*			trans	70.8	162.3	136.4	-85.1	-36.6	0	0	0	123.2
1064	T	22.8	Very low	25.4	Very low	113 Å²	113	149 Å²	149	69%	0.693	77%	0.774	S	S	*	*			trans	64.5	117.1	167.6	42.7	0	0	0	0	115.8
1065	E	23.9	Very low	25.5	Very low	159 Å²	159	149.2 Å²	149.2	74%	0.743	78%	0.78	S	S	*	*				85.3	134.3	65.9	-78.9	177.9	161.7	0	0	111.9
1066	E	24.3	Very low	25.7	Very low	165 Å²	165	150.4 Å²	150.4	77%	0.771	79%	0.791	S	S	*	*			trans	63.7	159.5	167	-72	147.4	-175.6	0	0	115.2
1067	E	24.1	Very low	25.8	Very low	159 Å²	159	150.2 Å²	150.2	74%	0.743	79%	0.79	S	S	*	*			cis	-148.8	-155.8	6.7	-140.6	154.8	-152	0	0	111.6
1068	E	26.3	Very low	25.8	Very low	164 Å²	164	153.8 Å²	153.8	77%	0.766	80%	0.799	S	S	*	*			trans	-62.6	-177.3	-176.8	-62.7	159.5	162.9	0	0	113.9
1069	E	24.5	Very low	25.9	Very low	168 Å²	168	152.3 Å²	152.3	79%	0.785	79%	0.787	S	S	*	*			cis	-154.3	144.9	35.3	-71.2	179.6	136	0	0	109.9
1070	E	26.9	Very low	26.1	Very low	184 Å²	184	153.8 Å²	153.8	86%	0.86	78%	0.784	S	S	*	*				81	172.6	97.1	-59.3	-125.6	129.3	0	0	117.5
1071	E	26.5	Very low	26	Very low	170 Å²	170	152.3 Å²	152.3	79%	0.794	78%	0.782	S	S	*	*			trans	64.8	105.9	-178.7	-59.6	-170.4	173	0	0	116.3
1072	D	24	Very low	26	Very low	143 Å²	143	155.4 Å²	155.4	77%	0.765	79%	0.788	S	S	*	*				91.9	150.8	81.9	-71.2	-14.3	0	0	0	111.8
1073	D	26.6	Very low	25.7	Very low	142 Å²	142	157.9 Å²	157.9	76%	0.759	79%	0.793	S	S	*	*			cis	-156.2	-169.6	8.8	-150.7	-20.5	0	0	0	111.2
1074	E	29.7	Very low	25.6	Very low	167 Å²	167	154.6 Å²	154.6	78%	0.78	79%	0.789	S	S	*	*			trans	76.1	91.1	160.7	-68.4	-172.5	177.4	0	0	120.8
1075	D	27.1	Very low	25.6	Very low	160 Å²	160	154.5 Å²	154.5	86%	0.856	79%	0.793	S	S	*	*				40.1	130.4	119	-71.8	-13.9	0	0	0	123.6
1076	D	28.8	Very low	25.5	Very low	172 Å²	172	152 Å²	152	92%	0.92	80%	0.799	S	S	*	*				-158.1	124.5	120	-133.9	-10.5	0	0	0	110.6
1077	E	28.9	Very low	25.5	Very low	172 Å²	172	147.9 Å²	147.9	80%	0.804	80%	0.801	S	S	*	*			trans	-103.1	147	-179.2	-126	-153.3	-138.7	0	0	111.5
1078	E	25.6	Very low	25.5	Very low	192 Å²	192	143.7 Å²	143.7	90%	0.897	80%	0.801	S	S	*	*			trans	-147.6	99.3	139.6	-140.9	177.6	-145.6	0	0	113.7
1079	A	26.3	Very low	25.3	Very low	78 Å²	78	143.3 Å²	143.3	65%	0.645	80%	0.804	S	S	*	*			trans	38.1	131.2	140.7	0	0	0	0	0	122
1080	S	28.1	Very low	25.4	Very low	112 Å²	112	140 Å²	140	78%	0.783	80%	0.799	S	S	*	*			trans	-73.1	155.4	162.1	63.4	0	0	0	0	113.6
1081	D	23.6	Very low	25.3	Very low	152 Å²	152	139.8 Å²	139.8	81%	0.813	80%	0.8	S	S	*	*			trans	-119	107.7	168.7	-151.4	-3.4	0	0	0	110.5
1082	Q	25	Very low	25.2	Very low	183 Å²	183	136.6 Å²	136.6	86%	0.855	80%	0.803	S	S	*	*			trans	-100	127.2	167.2	-74.8	-170.9	2.2	0	0	108.9
1083	F	22.6	Very low	25.2	Very low	194 Å²	194	132.7 Å²	132.7	85%	0.851	80%	0.797	S	S	*	*			trans	-124.9	138.5	170.8	-135.5	-86.7	0	0	0	112.4
1084	S	22.4	Very low	25	Very low	97 Å²	97	131.7 Å²	131.7	68%	0.678	80%	0.801	S	S	*	*			trans	-146.6	150.8	-177.2	65.1	0	0	0	0	112.9
1085	S	22.9	Very low	24.7	Very low	111 Å²	111	127.6 Å²	127.6	78%	0.776	80%	0.796	S	S	*	*			trans	74.7	142.7	168.3	80.7	0	0	0	0	119.6
1086	A	22.5	Very low	24.6	Very low	107 Å²	107	127.9 Å²	127.9	88%	0.884	79%	0.792	S	S	*	*			trans	61.3	135.6	161.8	0	0	0	0	0	119.7
1087	G	22.3	Very low	24.4	Very low	78 Å²	78	126.2 Å²	126.2	80%	0.804	78%	0.783	S	S	*	*			cis	167.1	160.7	-7.3	0	0	0	0	0	114.2
1088	G	24.5	Very low	24.2	Very low	72 Å²	72	124.9 Å²	124.9	74%	0.742	78%	0.777	S	S	*	*			trans	89.6	149.2	174.5	0	0	0	0	0	115.3
1089	D	23.5	Very low	24.4	Very low	156 Å²	156	121.3 Å²	121.3	83%	0.834	77%	0.77	S	S	*	*			cis	-164.2	172.8	-15.8	-140.7	-33.8	0	0	0	111.3
1090	S	25.2	Very low	24.6	Very low	98 Å²	98	124.5 Å²	124.5	69%	0.685	77%	0.766	S	S	*	*			trans	65.8	105.2	178.4	67.1	0	0	0	0	115.7
1091	M	24.5	Very low	24.7	Very low	179 Å²	179	125.4 Å²	125.4	88%	0.882	77%	0.769	S	S	*	*				83.2	115.9	81.7	-76.3	169.5	167.3	0	0	112.5
1092	A	24.5	Very low	25	Very low	103 Å²	103	124 Å²	124	85%	0.851	76%	0.757	S	S	*	*				69.9	133.7	59.5	0	0	0	0	0	112.8
1093	G	24.4	Very low	25	Very low	61 Å²	61	122 Å²	122	63%	0.629	75%	0.748	S	S	*	*			cis	-152.5	162.2	-1.8	0	0	0	0	0	110.4
1094	S	22.9	Very low	25.1	Very low	122 Å²	122	119.4 Å²	119.4	85%	0.853	74%	0.738	S	S	*	*				79.3	137.1	86.4	70.8	0	0	0	0	115.3
1095	A	24.1	Very low	25.2	Very low	81 Å²	81	123 Å²	123	67%	0.669	74%	0.737	S	S	*	*			trans	94	115.8	157.2	0	0	0	0	0	120.2
1096	Q	23.1	Very low	25.3	Very low	165 Å²	165	122.6 Å²	122.6	77%	0.771	73%	0.734	S	S	*	*				91.8	129	124.1	-75.9	170.9	-44.9	0	0	122.5
1097	D	24.6	Very low	25.3	Very low	137 Å²	137	122 Å²	122	73%	0.733	72%	0.723	S	S	*	*			trans	64.4	113.3	140	-51.3	-17.2	0	0	0	121.1
1098	E	26.1	Very low	25.4	Very low	145 Å²	145	126.5 Å²	126.5	68%	0.678	72%	0.722	S	S	*	*				5.8	144.3	114.5	-83.5	-81.3	139.4	0	0	116.6	R1100	E1098-R1100 PolarHBondContact OE2-N 3.49Å
1099	P	29.1	Very low	25.4	Very low	116 Å²	116	126 Å²	126	75%	0.753	72%	0.718	S	S	*	*			cis	-143.2	170.3	45.9	40.7	-22	0	0	0	119
1100	R	31.8	Very low	25.4	Very low	146 Å²	146	126.8 Å²	126.8	55%	0.551	72%	0.721	S	S	*	*			trans	-46.4	163.6	150	-62.6	157.8	147.7	-124.4	-22.9	111.9	E1098 E1102	E1098-R1100 PolarHBondContact OE2-N 3.49Å; R1100-E1102 VanDerWaalsContact CZ-CD 3.42Å; R1100-E1102 IonicContact CZ-OE1 2.74Å; R1100-E1102 IonicContact CZ-OE2 3.94Å; R1100-E1102 IonicContact NH1-OE1 2.78Å; R1100-E1102 PolarHBondContact NH1-OE1 3.32Å; R1100-E1102 VanDerWaalsContact NH1-OE1 3.15Å; R1100-E1102 IonicContact NH1-OE2 3.07Å; R1100-E1102 PolarHBondContact NH1-OE2 3.34Å; R1100-E1102 IonicContact NH2-OE1 3.29Å; R1100-E1102 PolarHBondContact NH2-OE1 3.3Å; R1100-E1102 IonicContact NH2-OE2 3.74Å
1101	P	29.9	Very low	25.3	Very low	131 Å²	131	125.9 Å²	125.9	85%	0.851	73%	0.727	S	S	*	*				-125.8	147.3	91.9	2.5	18.2	0	0	0	113.9
1102	E	28.5	Very low	25.3	Very low	121 Å²	121	121.5 Å²	121.5	57%	0.565	72%	0.72	S	S	*	*			trans	-88.1	-162	157.5	-65.6	172.7	148.3	0	0	109.1	R1100	R1100-E1102 VanDerWaalsContact CZ-CD 3.42Å; R1100-E1102 IonicContact CZ-OE1 2.74Å; R1100-E1102 IonicContact CZ-OE2 3.94Å; R1100-E1102 IonicContact NH1-OE1 2.78Å; R1100-E1102 PolarHBondContact NH1-OE1 3.32Å; R1100-E1102 VanDerWaalsContact NH1-OE1 3.15Å; R1100-E1102 IonicContact NH1-OE2 3.07Å; R1100-E1102 PolarHBondContact NH1-OE2 3.34Å; R1100-E1102 IonicContact NH2-OE1 3.29Å; R1100-E1102 PolarHBondContact NH2-OE1 3.3Å; R1100-E1102 IonicContact NH2-OE2 3.74Å
1103	E	26.4	Very low	25.2	Very low	141 Å²	141	122 Å²	122	66%	0.659	72%	0.717	S	S	*	*			trans	76.6	148.1	161.1	-67	-164.3	134.7	0	0	117.1	R1105	E1103-R1105 IonicContact OE1-CZ 2.71Å; E1103-R1105 VanDerWaalsContact OE1-CZ 3.27Å; E1103-R1105 IonicContact OE1-NH1 2.72Å; E1103-R1105 PolarHBondContact OE1-NH1 2.95Å; E1103-R1105 IonicContact OE1-NH2 3.55Å; E1103-R1105 PolarHBondContact OE1-NH2 3.48Å
1104	E	23.9	Very low	25.7	Very low	141 Å²	141	124.2 Å²	124.2	66%	0.659	72%	0.72	S	S	*	*			cis	-145.6	166.5	9.1	-139.4	-173.1	156.1	0	0	116.2
1105	R	24.2	Very low	25.7	Very low	172 Å²	172	125.1 Å²	125.1	65%	0.649	71%	0.711	S	S	*	*			trans	-27	157.5	161.2	-55.9	157.7	-171.3	111.6	12.7	114.4	E1103	E1103-R1105 IonicContact OE1-CZ 2.71Å; E1103-R1105 VanDerWaalsContact OE1-CZ 3.27Å; E1103-R1105 IonicContact OE1-NH1 2.72Å; E1103-R1105 PolarHBondContact OE1-NH1 2.95Å; E1103-R1105 IonicContact OE1-NH2 3.55Å; E1103-R1105 PolarHBondContact OE1-NH2 3.48Å
1106	S	24.7	Very low	25.6	Very low	103 Å²	103	130.5 Å²	130.5	72%	0.72	71%	0.714	S	S	*	*				-173.4	-177.1	50.5	67.4	0	0	0	0	110.4
1107	C	22.6	Very low	25.6	Very low	94 Å²	94	130 Å²	130	64%	0.635	72%	0.716	S	S	*	*			cis	-150.6	141	10.9	-130.8	0	0	0	0	108.6
1108	H	24.8	Very low	25.5	Very low	173 Å²	173	128.7 Å²	128.7	80%	0.801	72%	0.718	S	S	*	*				49.3	134.4	102.8	-61.2	45.4	0	0	0	116.7
1109	G	24.6	Very low	25.4	Very low	62 Å²	62	130 Å²	130	64%	0.639	73%	0.728	S	S	*	*			cis	156.9	-170.8	-1.8	0	0	0	0	0	113.3
1110	N	23.2	Very low	25.1	Very low	171 Å²	171	133.3 Å²	133.3	91%	0.914	73%	0.734	S	S	*	*			trans	66.2	144.8	173.7	-53.3	-22.4	0	0	0	115.2
1111	G	23.2	Very low	24.9	Very low	79 Å²	79	135.3 Å²	135.3	81%	0.814	75%	0.749	S	S	*	*			cis	125	143	17.5	0	0	0	0	0	108
1112	A	24.4	Very low	24.5	Very low	87 Å²	87	134.1 Å²	134.1	72%	0.719	74%	0.744	S	S	*	*			cis	-137.3	164.5	11.8	0	0	0	0	0	108.5
1113	S	22.1	Very low	24.5	Very low	115 Å²	115	133.5 Å²	133.5	80%	0.804	75%	0.753	S	S	*	*				51	141.6	65.3	-31.8	0	0	0	0	113
1114	P	35	Very low	24.5	Very low	106 Å²	106	132.5 Å²	132.5	69%	0.688	76%	0.757	S	S	*	*			cis	-139.2	176.4	35.8	44.3	-26.9	0	0	0	116.9
1115	E	23.2	Very low	24.6	Very low	142 Å²	142	134.6 Å²	134.6	66%	0.664	77%	0.766	S	S	*	*			trans	41.8	147.4	134.7	-65.7	-172.9	136	0	0	121.9
1116	R	23.2	Very low	24.8	Very low	193 Å²	193	130.8 Å²	130.8	73%	0.728	77%	0.771	S	S	*	*			cis	-160.8	176.4	8.8	-129.3	173	-146.3	-172.9	13.7	112
1117	L	21.9	Very low	24.9	Very low	156 Å²	156	134 Å²	134	82%	0.817	78%	0.775	S	S	*	*			trans	-27.1	150.8	148.2	-57.4	168.8	0	0	0	114.1
1118	S	22.8	Very low	25.2	Very low	109 Å²	109	136.2 Å²	136.2	76%	0.762	78%	0.78	S	S	*	*			cis	-159.7	163.1	11.8	39	0	0	0	0	111.1
1119	L	23.5	Very low	25.4	Very low	171 Å²	171	132.6 Å²	132.6	90%	0.895	78%	0.78	S	S	*	*			trans	-91	129.4	165.4	-75.4	166.5	0	0	0	110.8
1120	E	23.6	Very low	25.5	Very low	187 Å²	187	135 Å²	135	87%	0.874	79%	0.787	S	S	*	*			trans	-112.1	175.1	148.4	-83.5	-164.4	157.2	0	0	108.9
1121	E	27.2	Very low	25.7	Very low	187 Å²	187	129.8 Å²	129.8	87%	0.874	77%	0.774	S	S	*	*			trans	-83.1	-179.6	-157.6	-55.3	-174.8	109.4	0	0	116.2
1122	S	22.4	Very low	26.3	Very low	106 Å²	106	134.1 Å²	134.1	74%	0.741	77%	0.773	S	S	*	*			trans	87.4	90.3	154.4	74.9	0	0	0	0	119.6
1123	S	27.7	Very low	26.6	Very low	109 Å²	109	136.3 Å²	136.3	76%	0.762	77%	0.768	S	S	*	*				54	157.2	113.6	65.2	0	0	0	0	123.7
1124	V	26	Very low	27	Very low	120 Å²	120	137.7 Å²	137.7	73%	0.727	76%	0.764	S	S	*	*			trans	99.7	100.5	159.7	-171.2	0	0	0	0	117.3
1125	E	25.7	Very low	26.7	Very low	184 Å²	184	137.8 Å²	137.8	86%	0.86	76%	0.758	S	S	*	*			trans	44.3	168.6	133.5	-56.5	-168.8	121	0	0	124.6
1126	A	27.9	Very low	27.1	Very low	92 Å²	92	140.4 Å²	140.4	76%	0.76	76%	0.762	S	S	*	*			trans	91.3	77.8	155.4	0	0	0	0	0	120.3
1127	E	27.1	Very low	27.3	Very low	170 Å²	170	136.9 Å²	136.9	79%	0.794	77%	0.765	S	S	*	*				55.6	128.4	113.3	-74.7	-142.4	118.3	0	0	124.3
1128	L	29.8	Very low	27.6	Very low	142 Å²	142	134.6 Å²	134.6	74%	0.743	77%	0.769	S	S	*	*				89.3	142.9	128	-76.1	172.9	0	0	0	123.7
1129	A	28.4	Very low	28.6	Very low	96 Å²	96	134.7 Å²	134.7	79%	0.793	78%	0.777	S	S	*	*			trans	66.5	143.6	154.9	0	0	0	0	0	118.5
1130	S	27.3	Very low	29.1	Very low	114 Å²	114	132.1 Å²	132.1	80%	0.797	77%	0.773	S	S	*	*			cis	-152.4	166.9	-13.2	58.1	0	0	0	0	107.5
1131	G	27.8	Very low	30.2	Very low	61 Å²	61	127.5 Å²	127.5	63%	0.629	78%	0.775	S	S	*	*				67.2	119.8	53.4	0	0	0	0	0	110.4
1132	E	34.3	Very low	30.9	Very low	169 Å²	169	122.2 Å²	122.2	79%	0.79	76%	0.764	S	S	*	*			cis	-144.4	-157.3	3.3	-63	-178.2	61.3	0	0	108.9
1133	Q	32.6	Very low	32.5	Very low	133 Å²	133	123.1 Å²	123.1	62%	0.621	76%	0.76	S	S	*	*			cis	-165.2	179.1	7.2	-151.4	168	74.1	0	0	111.5
1134	M	30.2	Very low	34	Very low	145 Å²	145	122.2 Å²	122.2	71%	0.714	75%	0.752	S	S	*	*			trans	84.1	114	151.7	-75.5	-168.4	-178	0	0	122.5
1135	D	28.8	Very low	35.7	Very low	107 Å²	107	120.4 Å²	120.4	57%	0.572	74%	0.738	S	S	*	*				62.7	140.8	126	-78.7	13.8	0	0	0	122.3
1136	R	30	Very low	38.2	Very low	198 Å²	198	113.8 Å²	113.8	75%	0.747	71%	0.712	S	S	*	*			cis	-166.7	162.9	-14.3	-130.5	177.8	-129.3	-174.6	13.5	113
1137	C	27.4	Very low	40.9	Very low	118 Å²	118	110.5 Å²	110.5	80%	0.797	68%	0.68	S	S	*	*			trans	55	107.7	149.2	-67.6	0	0	0	0	121
1138	A	29.2	Very low	43.6	Very low	109 Å²	109	108.3 Å²	108.3	90%	0.901	67%	0.67	S	S	*	*				-148.6	134.9	121.7	0	0	0	0	0	109.6
1139	A	43.4	Very low	46.3	Very low	111 Å²	111	103.2 Å²	103.2	92%	0.917	65%	0.646	S	S	*	*			trans	-133.2	124.1	175.1	0	0	0	0	0	109.9
1140	S	34	Very low	49	Very low	117 Å²	117	98.8 Å²	98.8	82%	0.818	61%	0.609	S	S	*	*			trans	-132.1	139.7	171.5	54	0	0	0	0	108.2	A1142	S1140-A1142 PolarHBondContact O-N 3.36Å; S1140-A1142 VanDerWaalsContact O-N 3.13Å
1141	G	46.1	Very low	51.9	Low	89 Å²	89	94.2 Å²	94.2	92%	0.918	58%	0.576	S	S	*	*			trans	-55.6	114.8	-164.7	0	0	0	0	0	114.5
1142	A	41.8	Very low	54.8	Low	77 Å²	77	99 Å²	99	64%	0.636	58%	0.575	S	S	*	*			trans	-86.1	143.7	164	0	0	0	0	0	109.7	S1140	S1140-A1142 PolarHBondContact O-N 3.36Å; S1140-A1142 VanDerWaalsContact O-N 3.13Å
1143	N	55.9	Low	57.3	Low	125 Å²	125	92.7 Å²	92.7	67%	0.668	55%	0.55	S	S	*	*			trans	-59.4	142.4	168.1	-107.4	-6.5	0	0	0	109.7	D1145 S1146	N1143-D1145 VanDerWaalsContact C-N 3.26Å; N1143-D1145 PolarHBondContact O-N 3.36Å; N1143-S1146 WeakPolarHBondContact O-CB 3.27Å; N1143-S1146 PolarHBondContact O-N 2.81Å
1144	P	59.9	Low	60	Low	90 Å²	90	86.4 Å²	86.4	58%	0.584	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-39	178.9	23.8	-32.7	0	0	0	111.6	S1146 S1149	P1144-S1146 PolarHBondContact O-N 3.32Å; P1144-S1149 VanDerWaalsContact O-CB 3.23Å; P1144-S1149 WeakPolarHBondContact O-CB 3.31Å; P1144-S1149 PolarHBondContact O-OG 2.87Å
1145	D	62.9	Low	62.8	Low	82 Å²	82	83.4 Å²	83.4	44%	0.439	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	23.1	174.2	-51	-70.1	0	0	0	113.2	N1143 R1172 L1176	N1143-D1145 VanDerWaalsContact C-N 3.26Å; N1143-D1145 PolarHBondContact O-N 3.36Å; D1145-R1172 IonicContact OD1-CZ 3.29Å; D1145-R1172 IonicContact OD1-NH1 3.5Å; D1145-R1172 IonicContact OD1-NH2 3.96Å; D1145-R1172 PolarHBondContact OD1-NH2 3.21Å; D1145-L1176 VanDerWaalsContact O-CD1 3.27Å; D1145-L1176 WeakPolarHBondContact O-CD1 3.46Å
1146	S	77.9	Confident	65.7	Low	44 Å²	44	83.1 Å²	83.1	31%	0.308	50%	0.499	S	S	.	.			trans	-69.3	140.4	168.5	-177.9	0	0	0	0	110	N1143 P1144 E1148 S1149 L1150	N1143-S1146 WeakPolarHBondContact O-CB 3.27Å; N1143-S1146 PolarHBondContact O-N 2.81Å; P1144-S1146 PolarHBondContact O-N 3.32Å; S1146-E1148 VanDerWaalsContact C-N 3.3Å; S1146-E1148 PolarHBondContact O-N 3.27Å; S1146-S1149 WeakPolarHBondContact O-CA 3.4Å; S1146-S1149 WeakPolarHBondContact O-CB 3.44Å; S1146-S1149 PolarHBondContact O-N 2.87Å; S1146-L1150 PolarHBondContact O-N 3.13Å
1147	Y	85	Confident	68.4	Low	24 Å²	24	76.9 Å²	76.9	9%	0.094	48%	0.475	C	S	.	.	H	α-helix	trans	-48.4	-48	178.5	-179.5	-102.3	0	0	0	113.1	S1149 L1150 V1151 A1173 L1176 R1177 D1180 V1183	Y1147-S1149 VanDerWaalsContact C-N 3.29Å; Y1147-S1149 PolarHBondContact O-N 3.4Å; Y1147-L1150 PolarHBondContact O-N 2.83Å; Y1147-V1151 HydrophobicContact CD1-CG2 4.38Å; Y1147-V1151 HydrophobicContact CD2-CG2 4.35Å; Y1147-V1151 HydrophobicContact CE1-CG2 3.97Å; Y1147-V1151 HydrophobicContact CE2-CG2 3.92Å; Y1147-V1151 WeakPolarHBondContact O-CB 3.41Å; Y1147-V1151 WeakPolarHBondContact O-CG2 3.41Å; Y1147-V1151 PolarHBondContact O-N 2.67Å; Y1147-A1173 HydrophobicContact CD2-CB 3.95Å; Y1147-A1173 VanDerWaalsContact CD2-O 3.31Å; Y1147-A1173 WeakPolarHBondContact CD2-O 3.24Å; Y1147-A1173 HydrophobicContact CE2-CB 3.8Å; Y1147-A1173 VanDerWaalsContact CE2-O 3.27Å; Y1147-A1173 WeakPolarHBondContact CE2-O 3.24Å; Y1147-L1176 HydrophobicContact CD2-CB 4.49Å; Y1147-R1177 HydrophobicContact CD2-CB 3.78Å; Y1147-R1177 HydrophobicContact CE2-CB 3.65Å; Y1147-R1177 HydrophobicContact CG-CB 4.42Å; Y1147-D1180 WeakPolarHBondContact OH-CB 3.48Å; Y1147-D1180 PolarHBondContact OH-OD2 2.87Å; Y1147-V1183 VanDerWaalsContact OH-CG2 3.26Å; Y1147-V1183 WeakPolarHBondContact OH-CG2 3.49Å
1148	E	83.1	Confident	71.2	Confident	123 Å²	123	74.7 Å²	74.7	58%	0.575	46%	0.455	S	S	*	.	H	α-helix	trans	-70.5	-21.2	178.1	-67.5	-175.3	-167.1	0	0	114.3	S1146 R1152	S1146-E1148 VanDerWaalsContact C-N 3.3Å; S1146-E1148 PolarHBondContact O-N 3.27Å; E1148-R1152 WeakPolarHBondContact O-CB 3.33Å; E1148-R1152 PolarHBondContact O-N 2.86Å; E1148-R1152 PolarHBondContact O-NH1 2.91Å
1149	S	85.8	Confident	73.8	Confident	35 Å²	35	74.1 Å²	74.1	25%	0.245	44%	0.444	C	S	.	.	H	α-helix	trans	-71.8	-53	172	-177.9	0	0	0	0	109.1	P1144 S1146 Y1147 V1151 R1152 S1153	P1144-S1149 VanDerWaalsContact O-CB 3.23Å; P1144-S1149 WeakPolarHBondContact O-CB 3.31Å; P1144-S1149 PolarHBondContact O-OG 2.87Å; S1146-S1149 WeakPolarHBondContact O-CA 3.4Å; S1146-S1149 WeakPolarHBondContact O-CB 3.44Å; S1146-S1149 PolarHBondContact O-N 2.87Å; Y1147-S1149 VanDerWaalsContact C-N 3.29Å; Y1147-S1149 PolarHBondContact O-N 3.4Å; S1149-V1151 PolarHBondContact O-N 3.43Å; S1149-R1152 PolarHBondContact O-N 3.46Å; S1149-S1153 PolarHBondContact O-N 3.38Å; S1149-S1153 PolarHBondContact O-OG 3.02Å
1150	L	86.6	Confident	75.8	Confident	4 Å²	4	73.2 Å²	73.2	2%	0.021	42%	0.421	C	S	.	.	H	α-helix	trans	-60.9	-46.5	-179.9	-63.9	166.6	0	0	0	112.4	S1146 Y1147 R1152 S1153 G1154 F1169 R1172 A1173 L1176	S1146-L1150 PolarHBondContact O-N 3.13Å; Y1147-L1150 PolarHBondContact O-N 2.83Å; L1150-R1152 VanDerWaalsContact C-N 3.32Å; L1150-R1152 PolarHBondContact O-N 2.91Å; L1150-S1153 PolarHBondContact O-N 3.18Å; L1150-G1154 PolarHBondContact O-N 2.95Å; L1150-F1169 HydrophobicContact CD2-CD1 3.87Å; L1150-F1169 HydrophobicContact CD2-CE1 4.44Å; L1150-R1172 HydrophobicContact CD1-CB 4.47Å; L1150-A1173 HydrophobicContact CB-CB 4.1Å; L1150-L1176 HydrophobicContact CD1-CD1 3.48Å; L1150-L1176 VanDerWaalsContact CD1-CD1 3.48Å
1151	V	88.1	Confident	78.1	Confident	18 Å²	18	73 Å²	73	11%	0.109	41%	0.411	C	S	.	.	H	α-helix	trans	-63.1	-37.4	176.7	172.4	0	0	0	0	112	Y1147 S1149 K1155 F1170 A1173 V1183	Y1147-V1151 HydrophobicContact CD1-CG2 4.38Å; Y1147-V1151 HydrophobicContact CD2-CG2 4.35Å; Y1147-V1151 HydrophobicContact CE1-CG2 3.97Å; Y1147-V1151 HydrophobicContact CE2-CG2 3.92Å; Y1147-V1151 WeakPolarHBondContact O-CB 3.41Å; Y1147-V1151 WeakPolarHBondContact O-CG2 3.41Å; Y1147-V1151 PolarHBondContact O-N 2.67Å; S1149-V1151 PolarHBondContact O-N 3.43Å; V1151-K1155 HydrophobicContact CG1-CD 4.39Å; V1151-K1155 WeakPolarHBondContact O-CG 3.32Å; V1151-K1155 PolarHBondContact O-N 3.14Å; V1151-F1170 HydrophobicContact CG1-CE1 4.3Å; V1151-A1173 HydrophobicContact CG2-CB 3.78Å; V1151-V1183 HydrophobicContact CG1-CG2 4.06Å; V1151-V1183 HydrophobicContact CG2-CG2 3.69Å
1152	R	87.5	Confident	79.9	Confident	161 Å²	161	74.8 Å²	74.8	61%	0.608	39%	0.39	S	S	*	.	H	α-helix	trans	-69	-44.5	176.6	-177.2	179.1	-78	102.8	-11.2	111.2	E1148 S1149 L1150 K1155 E1156	E1148-R1152 WeakPolarHBondContact O-CB 3.33Å; E1148-R1152 PolarHBondContact O-N 2.86Å; E1148-R1152 PolarHBondContact O-NH1 2.91Å; S1149-R1152 PolarHBondContact O-N 3.46Å; L1150-R1152 VanDerWaalsContact C-N 3.32Å; L1150-R1152 PolarHBondContact O-N 2.91Å; R1152-K1155 PolarHBondContact O-N 3.02Å; R1152-E1156 PolarHBondContact O-N 3.34Å
1153	S	87.8	Confident	81.8	Confident	37 Å²	37	71.7 Å²	71.7	26%	0.259	36%	0.363	S	S	.	.	H	α-helix	trans	-64.8	-38.1	174.6	-65.4	0	0	0	0	113	S1149 L1150 E1156 R1157	S1149-S1153 PolarHBondContact O-N 3.38Å; S1149-S1153 PolarHBondContact O-OG 3.02Å; L1150-S1153 PolarHBondContact O-N 3.18Å; S1153-E1156 PolarHBondContact O-N 3.2Å; S1153-R1157 WeakPolarHBondContact O-CG 3.43Å; S1153-R1157 PolarHBondContact O-N 3.28Å
1154	G	88.6	Confident	83.1	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-61.2	-48.1	173.1	0	0	0	0	0	111.9	L1150 E1156 R1157 I1158	L1150-G1154 PolarHBondContact O-N 2.95Å; G1154-E1156 VanDerWaalsContact C-N 3.27Å; G1154-E1156 PolarHBondContact O-N 3.03Å; G1154-R1157 PolarHBondContact O-N 2.98Å; G1154-R1157 VanDerWaalsContact O-N 3.13Å; G1154-I1158 PolarHBondContact O-N 2.64Å
1155	K	88.4	Confident	84.3	Confident	82 Å²	82	68.2 Å²	68.2	36%	0.357	34%	0.34	S	S	.	.	H	α-helix	trans	-62.6	-33.1	175.9	-72.5	-178.9	176	-179.7	0	112.1	V1151 R1152 S1159 F1170 E1182	V1151-K1155 HydrophobicContact CG1-CD 4.39Å; V1151-K1155 WeakPolarHBondContact O-CG 3.32Å; V1151-K1155 PolarHBondContact O-N 3.14Å; R1152-K1155 PolarHBondContact O-N 3.02Å; K1155-S1159 PolarHBondContact O-N 2.94Å; K1155-F1170 HydrophobicContact CB-CZ 4.46Å; K1155-F1170 HydrophobicContact CG-CE1 4.13Å; K1155-F1170 HydrophobicContact CG-CZ 3.77Å; K1155-F1170 VanDerWaalsContact N-CZ 3.29Å; K1155-E1182 WeakPolarHBondContact CE-OE1 3.47Å; K1155-E1182 IonicContact NZ-OE1 2.76Å; K1155-E1182 PolarHBondContact NZ-OE1 2.77Å; K1155-E1182 IonicContact NZ-OE2 3.25Å; K1155-E1182 PolarHBondContact NZ-OE2 2.93Å
1156	E	89.5	Confident	85.4	Confident	102 Å²	102	64.3 Å²	64.3	48%	0.477	32%	0.319	S	S	.	.	H	α-helix	trans	-70.2	-37.2	172.6	-162.1	-172.3	158.6	0	0	112.9	R1152 S1153 G1154 I1158 S1159 Q1160	R1152-E1156 PolarHBondContact O-N 3.34Å; S1153-E1156 PolarHBondContact O-N 3.2Å; G1154-E1156 VanDerWaalsContact C-N 3.27Å; G1154-E1156 PolarHBondContact O-N 3.03Å; E1156-I1158 VanDerWaalsContact C-N 3.34Å; E1156-S1159 PolarHBondContact O-N 3.21Å; E1156-S1159 PolarHBondContact O-OG 3.32Å; E1156-Q1160 WeakPolarHBondContact O-CG 3.49Å; E1156-Q1160 PolarHBondContact O-N 2.89Å; E1156-Q1160 PolarHBondContact OE1-NE2 3.49Å; E1156-Q1160 VanDerWaalsContact OE1-NE2 3.07Å
1157	R	86.9	Confident	86	Confident	67 Å²	67	63 Å²	63	25%	0.253	31%	0.309	S	S	.	.	H	α-helix	trans	-70.2	-29.3	174.7	-68.6	-62.8	177.1	92.9	13	113	S1153 G1154 Q1160 N1161 R1162 D1165 A1166 F1169	S1153-R1157 WeakPolarHBondContact O-CG 3.43Å; S1153-R1157 PolarHBondContact O-N 3.28Å; G1154-R1157 PolarHBondContact O-N 2.98Å; G1154-R1157 VanDerWaalsContact O-N 3.13Å; R1157-Q1160 PolarHBondContact O-N 3.33Å; R1157-N1161 PolarHBondContact O-N 3.41Å; R1157-R1162 PolarHBondContact O-N 3.49Å; R1157-D1165 HydrophobicContact CB-CB 4.37Å; R1157-D1165 HydrophobicContact CG-CB 4.12Å; R1157-D1165 IonicContact CZ-OD2 3.94Å; R1157-D1165 IonicContact NH1-OD1 3.82Å; R1157-D1165 IonicContact NH1-OD2 2.8Å; R1157-D1165 PolarHBondContact NH1-OD2 2.61Å; R1157-A1166 HydrophobicContact CB-CB 3.72Å; R1157-F1169 HydrophobicContact CG-CD2 4.07Å; R1157-F1169 HydrophobicContact CG-CE2 4.04Å
1158	I	86.4	Confident	86.1	Confident	71 Å²	71	66 Å²	66	36%	0.364	33%	0.326	S	S	.	.	H	α-helix	trans	-60.6	-50.8	166.7	-66.4	-178.6	0	0	0	110.4	G1154 E1156 Q1160 N1161 A1166 F1170 I1186 L1190	G1154-I1158 PolarHBondContact O-N 2.64Å; E1156-I1158 VanDerWaalsContact C-N 3.34Å; I1158-Q1160 PolarHBondContact O-N 3.08Å; I1158-N1161 WeakPolarHBondContact O-CA 3.39Å; I1158-N1161 PolarHBondContact O-N 3.21Å; I1158-A1166 HydrophobicContact CG1-CB 3.84Å; I1158-F1170 HydrophobicContact CD1-CE2 3.68Å; I1158-F1170 HydrophobicContact CD1-CZ 4.09Å; I1158-F1170 HydrophobicContact CG1-CE2 4.14Å; I1158-I1186 HydrophobicContact CD1-CG2 3.71Å; I1158-L1190 HydrophobicContact CD1-CD1 4.2Å; I1158-L1190 HydrophobicContact CD1-CD2 4.41Å; I1158-L1190 HydrophobicContact CD1-CG 4.47Å; I1158-L1190 HydrophobicContact CG1-CD1 4.4Å; I1158-L1190 HydrophobicContact CG1-CD2 4.27Å
1159	S	84.6	Confident	86.4	Confident	98 Å²	98	62 Å²	62	69%	0.685	31%	0.307	S	S	*	.	H	α-helix	trans	-67.2	-24.7	-178.2	69.5	0	0	0	0	113.3	K1155 E1156 N1161	K1155-S1159 PolarHBondContact O-N 2.94Å; E1156-S1159 PolarHBondContact O-N 3.21Å; E1156-S1159 PolarHBondContact O-OG 3.32Å; S1159-N1161 PolarHBondContact O-N 2.7Å
1160	Q	85.8	Confident	86.7	Confident	92 Å²	92	60.3 Å²	60.3	43%	0.43	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	5	169.7	-65.7	174.6	15.2	0	0	114.1	E1156 R1157 I1158 R1162	E1156-Q1160 WeakPolarHBondContact O-CG 3.49Å; E1156-Q1160 PolarHBondContact O-N 2.89Å; E1156-Q1160 PolarHBondContact OE1-NE2 3.49Å; E1156-Q1160 VanDerWaalsContact OE1-NE2 3.07Å; R1157-Q1160 PolarHBondContact O-N 3.33Å; I1158-Q1160 PolarHBondContact O-N 3.08Å; Q1160-R1162 VanDerWaalsContact C-N 3.26Å; Q1160-R1162 PolarHBondContact O-N 3.15Å
1161	N	82.3	Confident	86.7	Confident	112 Å²	112	63 Å²	63	60%	0.599	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	37.1	-177.7	-166.6	12.6	0	0	0	113.3	R1157 I1158 S1159 P1163 R1197	R1157-N1161 PolarHBondContact O-N 3.41Å; I1158-N1161 WeakPolarHBondContact O-CA 3.39Å; I1158-N1161 PolarHBondContact O-N 3.21Å; S1159-N1161 PolarHBondContact O-N 2.7Å; N1161-P1163 VanDerWaalsContact O-CD 3.22Å; N1161-P1163 WeakPolarHBondContact O-CD 3.2Å; N1161-R1197 PolarHBondContact OD1-NH2 3.01Å
1162	R	83.6	Confident	86.6	Confident	127 Å²	127	66.7 Å²	66.7	48%	0.479	32%	0.321	S	S	.	.			trans	-115.3	70.2	177.2	-69.6	175.5	62.1	145.5	2.7	110.3	R1157 Q1160 D1164 D1165 A1166	R1157-R1162 PolarHBondContact O-N 3.49Å; Q1160-R1162 VanDerWaalsContact C-N 3.26Å; Q1160-R1162 PolarHBondContact O-N 3.15Å; R1162-D1164 PolarHBondContact O-N 3.25Å; R1162-D1165 IonicContact CZ-OD2 3.07Å; R1162-D1165 IonicContact NE-OD2 2.67Å; R1162-D1165 PolarHBondContact NE-OD2 2.83Å; R1162-D1165 IonicContact NH2-OD1 3.69Å; R1162-D1165 IonicContact NH2-OD2 2.7Å; R1162-D1165 PolarHBondContact NH2-OD2 3.21Å; R1162-D1165 PolarHBondContact O-N 2.76Å; R1162-A1166 PolarHBondContact O-N 3.02Å
1163	P	81.4	Confident	86.6	Confident	12 Å²	12	59 Å²	59	8%	0.078	29%	0.292	C	S	.	.	H	α-helix	trans	-63.4	-34.6	-171.4	24.4	-34.2	0	0	0	114	N1161 A1166 L1167 L1190 L1194	N1161-P1163 VanDerWaalsContact O-CD 3.22Å; N1161-P1163 WeakPolarHBondContact O-CD 3.2Å; P1163-A1166 WeakPolarHBondContact O-CB 3.12Å; P1163-A1166 PolarHBondContact O-N 3.04Å; P1163-L1167 PolarHBondContact O-N 3.46Å; P1163-L1190 HydrophobicContact CB-CD2 3.74Å; P1163-L1194 HydrophobicContact CB-CD2 3.94Å; P1163-L1194 HydrophobicContact CB-CG 4.31Å; P1163-L1194 HydrophobicContact CG-CD2 3.76Å
1164	D	84.1	Confident	86.5	Confident	91 Å²	91	58.8 Å²	58.8	49%	0.487	29%	0.288	S	S	.	.	H	α-helix	trans	-64	-42.5	179.4	-53.7	-97.8	0	0	0	112.4	R1162 L1167 L1194	R1162-D1164 PolarHBondContact O-N 3.25Å; D1164-L1167 PolarHBondContact O-N 2.69Å; D1164-L1194 WeakPolarHBondContact OD1-CD2 3.32Å
1165	D	83.5	Confident	86.3	Confident	50 Å²	50	65.1 Å²	65.1	27%	0.267	32%	0.322	S	S	.	.	H	α-helix	trans	-68.7	-38.4	174.2	-61.2	-41.2	0	0	0	111.7	R1157 R1162 L1167 D1168 F1169	R1157-D1165 HydrophobicContact CB-CB 4.37Å; R1157-D1165 HydrophobicContact CG-CB 4.12Å; R1157-D1165 IonicContact CZ-OD2 3.94Å; R1157-D1165 IonicContact NH1-OD1 3.82Å; R1157-D1165 IonicContact NH1-OD2 2.8Å; R1157-D1165 PolarHBondContact NH1-OD2 2.61Å; R1162-D1165 IonicContact CZ-OD2 3.07Å; R1162-D1165 IonicContact NE-OD2 2.67Å; R1162-D1165 PolarHBondContact NE-OD2 2.83Å; R1162-D1165 IonicContact NH2-OD1 3.69Å; R1162-D1165 IonicContact NH2-OD2 2.7Å; R1162-D1165 PolarHBondContact NH2-OD2 3.21Å; R1162-D1165 PolarHBondContact O-N 2.76Å; D1165-L1167 PolarHBondContact O-N 3.33Å; D1165-D1168 PolarHBondContact O-N 3.39Å; D1165-F1169 WeakPolarHBondContact O-CD2 3.23Å; D1165-F1169 PolarHBondContact O-N 3.39Å
1166	A	87.4	Confident	86	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-59.8	-38.9	179.6	0	0	0	0	0	110.7	R1157 I1158 R1162 P1163 F1169 F1170 L1190	R1157-A1166 HydrophobicContact CB-CB 3.72Å; I1158-A1166 HydrophobicContact CG1-CB 3.84Å; R1162-A1166 PolarHBondContact O-N 3.02Å; P1163-A1166 WeakPolarHBondContact O-CB 3.12Å; P1163-A1166 PolarHBondContact O-N 3.04Å; A1166-F1169 PolarHBondContact O-N 3.24Å; A1166-F1170 HydrophobicContact CB-CD2 4.47Å; A1166-F1170 HydrophobicContact CB-CE2 4.22Å; A1166-F1170 WeakPolarHBondContact O-CD2 3.41Å; A1166-F1170 PolarHBondContact O-N 3.16Å; A1166-F1170 VanDerWaalsContact O-N 3.07Å; A1166-L1190 HydrophobicContact CB-CD1 3.98Å
1167	L	88.8	Confident	85.5	Confident	18 Å²	18	67.2 Å²	67.2	9%	0.094	33%	0.33	C	S	.	.	H	α-helix	trans	-61.3	-43.6	178.2	-167.9	72	0	0	0	112.5	P1163 D1164 D1165 F1169 F1170 L1171 T1187 L1190 Y1191 L1194	P1163-L1167 PolarHBondContact O-N 3.46Å; D1164-L1167 PolarHBondContact O-N 2.69Å; D1165-L1167 PolarHBondContact O-N 3.33Å; L1167-F1169 PolarHBondContact O-N 2.73Å; L1167-F1170 PolarHBondContact O-N 3.32Å; L1167-L1171 HydrophobicContact CD2-CD1 4.48Å; L1167-L1171 HydrophobicContact CG-CD1 4.03Å; L1167-L1171 HydrophobicContact CG-CG 4.42Å; L1167-L1171 WeakPolarHBondContact O-CB 3.38Å; L1167-L1171 VanDerWaalsContact O-CG 3.31Å; L1167-L1171 WeakPolarHBondContact O-CG 3.44Å; L1167-L1171 PolarHBondContact O-N 2.88Å; L1167-T1187 HydrophobicContact CD1-CG2 3.8Å; L1167-L1190 HydrophobicContact CD1-CB 3.88Å; L1167-L1190 HydrophobicContact CD1-CD1 4.41Å; L1167-Y1191 HydrophobicContact CD1-CD2 3.69Å; L1167-Y1191 HydrophobicContact CD1-CE2 3.78Å; L1167-Y1191 HydrophobicContact CD1-CG 4.41Å; L1167-Y1191 HydrophobicContact CD2-CD2 4.25Å; L1167-Y1191 HydrophobicContact CD2-CE1 4.16Å; L1167-Y1191 HydrophobicContact CD2-CE2 3.88Å; L1167-Y1191 HydrophobicContact CG-CE2 4.22Å; L1167-L1194 HydrophobicContact CD2-CD1 4.01Å
1168	D	87.6	Confident	84.9	Confident	85 Å²	85	67.9 Å²	67.9	46%	0.455	34%	0.343	S	S	.	.	H	α-helix	trans	-58.9	-47.2	175.4	-178.7	80.3	0	0	0	111.7	D1165 F1170 L1171 R1172	D1165-D1168 PolarHBondContact O-N 3.39Å; D1168-F1170 VanDerWaalsContact C-N 3.32Å; D1168-F1170 PolarHBondContact O-N 2.9Å; D1168-L1171 PolarHBondContact O-N 2.92Å; D1168-R1172 WeakPolarHBondContact O-CB 3.25Å; D1168-R1172 VanDerWaalsContact O-CG 3.31Å; D1168-R1172 WeakPolarHBondContact O-CG 3.18Å; D1168-R1172 PolarHBondContact O-N 3.31Å; D1168-R1172 WeakPolarHBondContact OD2-CD 3.35Å
1169	F	90.4	Very high	84.2	Confident	40 Å²	40	67.6 Å²	67.6	18%	0.175	36%	0.357	C	S	.	.	H	α-helix	trans	-62.5	-35.6	178.1	-73.9	-65.7	0	0	0	113.2	L1150 R1157 D1165 A1166 L1167 A1173	L1150-F1169 HydrophobicContact CD2-CD1 3.87Å; L1150-F1169 HydrophobicContact CD2-CE1 4.44Å; R1157-F1169 HydrophobicContact CG-CD2 4.07Å; R1157-F1169 HydrophobicContact CG-CE2 4.04Å; D1165-F1169 WeakPolarHBondContact O-CD2 3.23Å; D1165-F1169 PolarHBondContact O-N 3.39Å; A1166-F1169 PolarHBondContact O-N 3.24Å; L1167-F1169 PolarHBondContact O-N 2.73Å; F1169-A1173 WeakPolarHBondContact O-CB 3.36Å; F1169-A1173 PolarHBondContact O-N 3.38Å; F1169-A1173 VanDerWaalsContact O-N 3.16Å
1170	F	91	Very high	84.2	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-79.2	-35.4	177.1	-67.3	-58.3	0	0	0	113.5	V1151 K1155 I1158 A1166 L1167 D1168 A1173 I1174 V1183 I1186 T1187 L1190	V1151-F1170 HydrophobicContact CG1-CE1 4.3Å; K1155-F1170 HydrophobicContact CB-CZ 4.46Å; K1155-F1170 HydrophobicContact CG-CE1 4.13Å; K1155-F1170 HydrophobicContact CG-CZ 3.77Å; K1155-F1170 VanDerWaalsContact N-CZ 3.29Å; I1158-F1170 HydrophobicContact CD1-CE2 3.68Å; I1158-F1170 HydrophobicContact CD1-CZ 4.09Å; I1158-F1170 HydrophobicContact CG1-CE2 4.14Å; A1166-F1170 HydrophobicContact CB-CD2 4.47Å; A1166-F1170 HydrophobicContact CB-CE2 4.22Å; A1166-F1170 WeakPolarHBondContact O-CD2 3.41Å; A1166-F1170 PolarHBondContact O-N 3.16Å; A1166-F1170 VanDerWaalsContact O-N 3.07Å; L1167-F1170 PolarHBondContact O-N 3.32Å; D1168-F1170 VanDerWaalsContact C-N 3.32Å; D1168-F1170 PolarHBondContact O-N 2.9Å; F1170-A1173 WeakPolarHBondContact O-CB 3.44Å; F1170-A1173 PolarHBondContact O-N 2.89Å; F1170-A1173 VanDerWaalsContact O-N 3.16Å; F1170-I1174 WeakPolarHBondContact O-CG1 3.42Å; F1170-I1174 PolarHBondContact O-N 3.39Å; F1170-V1183 HydrophobicContact CB-CG1 4.04Å; F1170-V1183 HydrophobicContact CD1-CG1 3.77Å; F1170-V1183 HydrophobicContact CG-CG1 4.28Å; F1170-I1186 HydrophobicContact CD2-CG2 4Å; F1170-I1186 HydrophobicContact CE1-CG2 4.43Å; F1170-I1186 HydrophobicContact CE2-CG2 3.62Å; F1170-I1186 HydrophobicContact CZ-CG2 3.83Å; F1170-T1187 WeakPolarHBondContact CB-OG1 3.43Å; F1170-L1190 HydrophobicContact CD2-CD1 3.66Å; F1170-L1190 HydrophobicContact CE2-CD1 3.9Å
1171	L	88.1	Confident	83.7	Confident	61 Å²	61	64.8 Å²	64.8	32%	0.319	34%	0.343	S	S	.	.	H	α-helix	trans	-61.2	-48.5	172.2	-73.4	170.9	0	0	0	110.6	L1167 D1168 A1173 I1174 D1175 T1187	L1167-L1171 HydrophobicContact CD2-CD1 4.48Å; L1167-L1171 HydrophobicContact CG-CD1 4.03Å; L1167-L1171 HydrophobicContact CG-CG 4.42Å; L1167-L1171 WeakPolarHBondContact O-CB 3.38Å; L1167-L1171 VanDerWaalsContact O-CG 3.31Å; L1167-L1171 WeakPolarHBondContact O-CG 3.44Å; L1167-L1171 PolarHBondContact O-N 2.88Å; D1168-L1171 PolarHBondContact O-N 2.92Å; L1171-A1173 PolarHBondContact O-N 3.02Å; L1171-I1174 WeakPolarHBondContact O-CB 3.14Å; L1171-I1174 PolarHBondContact O-N 3.05Å; L1171-D1175 PolarHBondContact O-N 3.13Å; L1171-T1187 HydrophobicContact CD2-CG2 4.01Å; L1171-T1187 HydrophobicContact CG-CG2 4.42Å
1172	R	84.9	Confident	83.7	Confident	94 Å²	94	64.5 Å²	64.5	36%	0.355	34%	0.338	S	S	.	.	H	α-helix	trans	-64.2	-22.2	174.9	-65.5	-178.9	66.3	-137.4	-10.7	113.4	D1145 L1150 D1168 L1176	D1145-R1172 IonicContact OD1-CZ 3.29Å; D1145-R1172 IonicContact OD1-NH1 3.5Å; D1145-R1172 IonicContact OD1-NH2 3.96Å; D1145-R1172 PolarHBondContact OD1-NH2 3.21Å; L1150-R1172 HydrophobicContact CD1-CB 4.47Å; D1168-R1172 WeakPolarHBondContact O-CB 3.25Å; D1168-R1172 VanDerWaalsContact O-CG 3.31Å; D1168-R1172 WeakPolarHBondContact O-CG 3.18Å; D1168-R1172 PolarHBondContact O-N 3.31Å; D1168-R1172 WeakPolarHBondContact OD2-CD 3.35Å; R1172-L1176 WeakPolarHBondContact O-CD1 3.47Å; R1172-L1176 WeakPolarHBondContact O-CG 3.48Å
1173	A	86.9	Confident	83.8	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-77.8	-40	170.3	0	0	0	0	0	112	Y1147 L1150 V1151 F1169 F1170 L1171 D1175 L1176 R1177 V1183	Y1147-A1173 HydrophobicContact CD2-CB 3.95Å; Y1147-A1173 VanDerWaalsContact CD2-O 3.31Å; Y1147-A1173 WeakPolarHBondContact CD2-O 3.24Å; Y1147-A1173 HydrophobicContact CE2-CB 3.8Å; Y1147-A1173 VanDerWaalsContact CE2-O 3.27Å; Y1147-A1173 WeakPolarHBondContact CE2-O 3.24Å; L1150-A1173 HydrophobicContact CB-CB 4.1Å; V1151-A1173 HydrophobicContact CG2-CB 3.78Å; F1169-A1173 WeakPolarHBondContact O-CB 3.36Å; F1169-A1173 PolarHBondContact O-N 3.38Å; F1169-A1173 VanDerWaalsContact O-N 3.16Å; F1170-A1173 WeakPolarHBondContact O-CB 3.44Å; F1170-A1173 PolarHBondContact O-N 2.89Å; F1170-A1173 VanDerWaalsContact O-N 3.16Å; L1171-A1173 PolarHBondContact O-N 3.02Å; A1173-D1175 VanDerWaalsContact C-N 3.35Å; A1173-L1176 PolarHBondContact O-N 3.28Å; A1173-L1176 VanDerWaalsContact O-N 3.15Å; A1173-R1177 PolarHBondContact O-N 3.47Å; A1173-V1183 HydrophobicContact CB-CG1 4.47Å
1174	I	85.5	Confident	84	Confident	33 Å²	33	61 Å²	61	17%	0.169	33%	0.326	C	S	.	.	H	α-helix	trans	-61.1	-42.9	174.5	-72.2	163.6	0	0	0	110.6	F1170 L1171 L1176 R1177 P1178 V1183 Q1184 T1187	F1170-I1174 WeakPolarHBondContact O-CG1 3.42Å; F1170-I1174 PolarHBondContact O-N 3.39Å; L1171-I1174 WeakPolarHBondContact O-CB 3.14Å; L1171-I1174 PolarHBondContact O-N 3.05Å; I1174-L1176 PolarHBondContact O-N 3.36Å; I1174-L1176 VanDerWaalsContact O-N 3.12Å; I1174-R1177 CarbonylContact O-C 3.49Å; I1174-R1177 PolarHBondContact O-N 3.02Å; I1174-P1178 HydrophobicContact CG2-CB 4.39Å; I1174-P1178 WeakPolarHBondContact O-CA 3.48Å; I1174-P1178 VanDerWaalsContact O-CD 3.3Å; I1174-P1178 WeakPolarHBondContact O-CD 3.43Å; I1174-V1183 HydrophobicContact CD1-CG1 4.26Å; I1174-V1183 HydrophobicContact CG1-CG1 3.91Å; I1174-Q1184 HydrophobicContact CD1-CG 4.43Å; I1174-T1187 HydrophobicContact CD1-CG2 3.98Å; I1174-T1187 WeakPolarHBondContact CD1-OG1 3.45Å
1175	D	84.3	Confident	84.1	Confident	133 Å²	133	61.5 Å²	61.5	71%	0.711	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-29.6	175.4	-67.9	-30.2	0	0	0	113.1	L1171 A1173	L1171-D1175 PolarHBondContact O-N 3.13Å; A1173-D1175 VanDerWaalsContact C-N 3.35Å
1176	L	82.3	Confident	84.3	Confident	103 Å²	103	60.3 Å²	60.3	54%	0.539	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-20.8	178	-68.1	168.3	0	0	0	113.6	D1145 Y1147 L1150 R1172 A1173 I1174	D1145-L1176 VanDerWaalsContact O-CD1 3.27Å; D1145-L1176 WeakPolarHBondContact O-CD1 3.46Å; Y1147-L1176 HydrophobicContact CD2-CB 4.49Å; L1150-L1176 HydrophobicContact CD1-CD1 3.48Å; L1150-L1176 VanDerWaalsContact CD1-CD1 3.48Å; R1172-L1176 WeakPolarHBondContact O-CD1 3.47Å; R1172-L1176 WeakPolarHBondContact O-CG 3.48Å; A1173-L1176 PolarHBondContact O-N 3.28Å; A1173-L1176 VanDerWaalsContact O-N 3.15Å; I1174-L1176 PolarHBondContact O-N 3.36Å; I1174-L1176 VanDerWaalsContact O-N 3.12Å
1177	R	80.4	Confident	84.2	Confident	125 Å²	125	60.7 Å²	60.7	47%	0.472	32%	0.324	S	S	.	.			trans	-156.1	83.8	177.5	-171.1	-174.1	-68.2	-179.4	-1	110.7	Y1147 A1173 I1174 G1179	Y1147-R1177 HydrophobicContact CD2-CB 3.78Å; Y1147-R1177 HydrophobicContact CE2-CB 3.65Å; Y1147-R1177 HydrophobicContact CG-CB 4.42Å; A1173-R1177 PolarHBondContact O-N 3.47Å; I1174-R1177 CarbonylContact O-C 3.49Å; I1174-R1177 PolarHBondContact O-N 3.02Å; R1177-G1179 PolarHBondContact O-N 3.35Å
1178	P	73.8	Confident	84.1	Confident	80 Å²	80	63.6 Å²	63.6	52%	0.519	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	15.9	-175.2	30.6	-36.7	0	0	0	114.4	I1174 Q1184	I1174-P1178 HydrophobicContact CG2-CB 4.39Å; I1174-P1178 WeakPolarHBondContact O-CA 3.48Å; I1174-P1178 VanDerWaalsContact O-CD 3.3Å; I1174-P1178 WeakPolarHBondContact O-CD 3.43Å; P1178-Q1184 PolarHBondContact O-NE2 2.92Å
1179	G	70.8	Confident	84	Confident	65 Å²	65	64.5 Å²	64.5	67%	0.67	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.9	17.9	-176.7	0	0	0	0	0	114.5	R1177	R1177-G1179 PolarHBondContact O-N 3.35Å
1180	D	84.4	Confident	83.8	Confident	35 Å²	35	62.9 Å²	62.9	19%	0.187	33%	0.333	C	S	.	.			trans	-100	108	178.5	-167.5	-45.7	0	0	0	110.9	Y1147 E1182 V1183 Q1184	Y1147-D1180 WeakPolarHBondContact OH-CB 3.48Å; Y1147-D1180 PolarHBondContact OH-OD2 2.87Å; D1180-E1182 VanDerWaalsContact C-N 3.31Å; D1180-E1182 PolarHBondContact O-N 3.2Å; D1180-E1182 PolarHBondContact OD1-N 3.32Å; D1180-E1182 VanDerWaalsContact OD1-N 3.09Å; D1180-V1183 PolarHBondContact OD1-N 3.4Å; D1180-Q1184 WeakPolarHBondContact O-CG 3.18Å; D1180-Q1184 PolarHBondContact O-N 3.18Å; D1180-Q1184 VanDerWaalsContact O-N 3.13Å
1181	P	76.8	Confident	83.4	Confident	96 Å²	96	69.2 Å²	69.2	62%	0.623	36%	0.358	S	S	*	.	H	α-helix	trans	-72.1	-22.5	-173.4	29.9	-35.7	0	0	0	113.1	L1185	P1181-L1185 VanDerWaalsContact O-CB 3.25Å; P1181-L1185 WeakPolarHBondContact O-CB 3.41Å; P1181-L1185 PolarHBondContact O-N 2.98Å
1182	E	81.4	Confident	83.1	Confident	106 Å²	106	74.5 Å²	74.5	50%	0.495	37%	0.374	S	S	.	.	H	α-helix	trans	-70.8	-46.2	179	-157.9	-156.1	144.3	0	0	109.8	K1155 D1180 L1185 I1186	K1155-E1182 WeakPolarHBondContact CE-OE1 3.47Å; K1155-E1182 IonicContact NZ-OE1 2.76Å; K1155-E1182 PolarHBondContact NZ-OE1 2.77Å; K1155-E1182 IonicContact NZ-OE2 3.25Å; K1155-E1182 PolarHBondContact NZ-OE2 2.93Å; D1180-E1182 VanDerWaalsContact C-N 3.31Å; D1180-E1182 PolarHBondContact O-N 3.2Å; D1180-E1182 PolarHBondContact OD1-N 3.32Å; D1180-E1182 VanDerWaalsContact OD1-N 3.09Å; E1182-L1185 PolarHBondContact O-N 2.9Å; E1182-I1186 HydrophobicContact CG-CD1 4.25Å; E1182-I1186 WeakPolarHBondContact O-CD1 3.45Å; E1182-I1186 VanDerWaalsContact O-CG1 3.27Å; E1182-I1186 WeakPolarHBondContact O-CG1 3.36Å; E1182-I1186 PolarHBondContact O-N 3.29Å
1183	V	86.8	Confident	82.8	Confident	2 Å²	2	75.5 Å²	75.5	1%	0.012	38%	0.383	C	S	.	.	H	α-helix	trans	-70	-38.7	179	177.3	0	0	0	0	111.7	Y1147 V1151 F1170 A1173 I1174 D1180 I1186 T1187	Y1147-V1183 VanDerWaalsContact OH-CG2 3.26Å; Y1147-V1183 WeakPolarHBondContact OH-CG2 3.49Å; V1151-V1183 HydrophobicContact CG1-CG2 4.06Å; V1151-V1183 HydrophobicContact CG2-CG2 3.69Å; F1170-V1183 HydrophobicContact CB-CG1 4.04Å; F1170-V1183 HydrophobicContact CD1-CG1 3.77Å; F1170-V1183 HydrophobicContact CG-CG1 4.28Å; A1173-V1183 HydrophobicContact CB-CG1 4.47Å; I1174-V1183 HydrophobicContact CD1-CG1 4.26Å; I1174-V1183 HydrophobicContact CG1-CG1 3.91Å; D1180-V1183 PolarHBondContact OD1-N 3.4Å; V1183-I1186 PolarHBondContact O-N 3.49Å; V1183-T1187 WeakPolarHBondContact O-CB 3.49Å; V1183-T1187 PolarHBondContact O-N 3.15Å; V1183-T1187 PolarHBondContact O-OG1 3.46Å
1184	Q	85.3	Confident	82.5	Confident	64 Å²	64	76.3 Å²	76.3	30%	0.299	39%	0.387	S	S	.	.	H	α-helix	trans	-59.1	-47	171.9	-74.9	177.6	-19.6	0	0	111.7	I1174 P1178 D1180 I1186 T1187 I1188	I1174-Q1184 HydrophobicContact CD1-CG 4.43Å; P1178-Q1184 PolarHBondContact O-NE2 2.92Å; D1180-Q1184 WeakPolarHBondContact O-CG 3.18Å; D1180-Q1184 PolarHBondContact O-N 3.18Å; D1180-Q1184 VanDerWaalsContact O-N 3.13Å; Q1184-I1186 PolarHBondContact O-N 3.35Å; Q1184-T1187 PolarHBondContact O-N 2.95Å; Q1184-I1188 WeakPolarHBondContact O-CG1 3.02Å; Q1184-I1188 PolarHBondContact O-N 3.19Å
1185	L	85.8	Confident	82	Confident	101 Å²	101	78.7 Å²	78.7	53%	0.529	41%	0.407	S	S	.	.	H	α-helix	trans	-64.2	-42.7	-179.6	-169.8	69.5	0	0	0	112.1	P1181 E1182 T1187 I1188 Q1189	P1181-L1185 VanDerWaalsContact O-CB 3.25Å; P1181-L1185 WeakPolarHBondContact O-CB 3.41Å; P1181-L1185 PolarHBondContact O-N 2.98Å; E1182-L1185 PolarHBondContact O-N 2.9Å; L1185-T1187 VanDerWaalsContact C-N 3.34Å; L1185-T1187 PolarHBondContact O-N 2.93Å; L1185-I1188 PolarHBondContact O-N 3.32Å; L1185-Q1189 WeakPolarHBondContact O-CB 3.38Å; L1185-Q1189 WeakPolarHBondContact O-CG 3Å; L1185-Q1189 PolarHBondContact O-N 3.38Å
1186	I	86.6	Confident	81.4	Confident	25 Å²	25	80.2 Å²	80.2	13%	0.128	41%	0.409	C	S	.	.	H	α-helix	trans	-61.5	-42	174.7	-69.6	165.4	0	0	0	111	I1158 F1170 E1182 V1183 Q1184 Q1189 L1190	I1158-I1186 HydrophobicContact CD1-CG2 3.71Å; F1170-I1186 HydrophobicContact CD2-CG2 4Å; F1170-I1186 HydrophobicContact CE1-CG2 4.43Å; F1170-I1186 HydrophobicContact CE2-CG2 3.62Å; F1170-I1186 HydrophobicContact CZ-CG2 3.83Å; E1182-I1186 HydrophobicContact CG-CD1 4.25Å; E1182-I1186 WeakPolarHBondContact O-CD1 3.45Å; E1182-I1186 VanDerWaalsContact O-CG1 3.27Å; E1182-I1186 WeakPolarHBondContact O-CG1 3.36Å; E1182-I1186 PolarHBondContact O-N 3.29Å; V1183-I1186 PolarHBondContact O-N 3.49Å; Q1184-I1186 PolarHBondContact O-N 3.35Å; I1186-Q1189 PolarHBondContact O-N 3.24Å; I1186-L1190 HydrophobicContact CG2-CD1 4.23Å; I1186-L1190 WeakPolarHBondContact O-CG 3.19Å; I1186-L1190 PolarHBondContact O-N 3.29Å
1187	T	87.3	Confident	80.6	Confident	8 Å²	8	82.9 Å²	82.9	5%	0.049	41%	0.412	C	S	.	.	H	α-helix	trans	-64.1	-43.3	178.6	-57.1	0	0	0	0	111.5	L1167 F1170 L1171 I1174 V1183 Q1184 L1185 L1190 Y1191	L1167-T1187 HydrophobicContact CD1-CG2 3.8Å; F1170-T1187 WeakPolarHBondContact CB-OG1 3.43Å; L1171-T1187 HydrophobicContact CD2-CG2 4.01Å; L1171-T1187 HydrophobicContact CG-CG2 4.42Å; I1174-T1187 HydrophobicContact CD1-CG2 3.98Å; I1174-T1187 WeakPolarHBondContact CD1-OG1 3.45Å; V1183-T1187 WeakPolarHBondContact O-CB 3.49Å; V1183-T1187 PolarHBondContact O-N 3.15Å; V1183-T1187 PolarHBondContact O-OG1 3.46Å; Q1184-T1187 PolarHBondContact O-N 2.95Å; L1185-T1187 VanDerWaalsContact C-N 3.34Å; L1185-T1187 PolarHBondContact O-N 2.93Å; T1187-L1190 PolarHBondContact O-N 3.22Å; T1187-Y1191 HydrophobicContact CG2-CD2 4.21Å; T1187-Y1191 HydrophobicContact CG2-CE2 4.36Å; T1187-Y1191 PolarHBondContact O-N 3.28Å
1188	I	86.3	Confident	79.1	Confident	80 Å²	80	89.3 Å²	89.3	41%	0.41	44%	0.436	S	S	.	.	H	α-helix	trans	-65.3	-39	175.5	-67.6	164.5	0	0	0	111.2	Q1184 L1185 Y1191 R1192	Q1184-I1188 WeakPolarHBondContact O-CG1 3.02Å; Q1184-I1188 PolarHBondContact O-N 3.19Å; L1185-I1188 PolarHBondContact O-N 3.32Å; I1188-Y1191 PolarHBondContact O-N 3.08Å; I1188-R1192 WeakPolarHBondContact O-CG 3.47Å; I1188-R1192 PolarHBondContact O-N 3.33Å
1189	Q	83.9	Confident	79.4	Confident	103 Å²	103	89.8 Å²	89.8	48%	0.481	43%	0.432	S	S	.	.	H	α-helix	trans	-65.6	-41.7	175	-75	177.9	-4	0	0	112.2	L1185 I1186 R1192 Q1193	L1185-Q1189 WeakPolarHBondContact O-CB 3.38Å; L1185-Q1189 WeakPolarHBondContact O-CG 3Å; L1185-Q1189 PolarHBondContact O-N 3.38Å; I1186-Q1189 PolarHBondContact O-N 3.24Å; Q1189-R1192 PolarHBondContact O-N 3.25Å; Q1189-Q1193 WeakPolarHBondContact O-CG 3.08Å; Q1189-Q1193 PolarHBondContact O-N 2.91Å
1190	L	86.5	Confident	79.8	Confident	6 Å²	6	91.1 Å²	91.1	3%	0.031	42%	0.419	C	S	.	.	H	α-helix	trans	-62.5	-45.4	174	-77.8	172.3	0	0	0	111.9	I1158 P1163 A1166 L1167 F1170 I1186 T1187 R1192 Q1193 L1194	I1158-L1190 HydrophobicContact CD1-CD1 4.2Å; I1158-L1190 HydrophobicContact CD1-CD2 4.41Å; I1158-L1190 HydrophobicContact CD1-CG 4.47Å; I1158-L1190 HydrophobicContact CG1-CD1 4.4Å; I1158-L1190 HydrophobicContact CG1-CD2 4.27Å; P1163-L1190 HydrophobicContact CB-CD2 3.74Å; A1166-L1190 HydrophobicContact CB-CD1 3.98Å; L1167-L1190 HydrophobicContact CD1-CB 3.88Å; L1167-L1190 HydrophobicContact CD1-CD1 4.41Å; F1170-L1190 HydrophobicContact CD2-CD1 3.66Å; F1170-L1190 HydrophobicContact CE2-CD1 3.9Å; I1186-L1190 HydrophobicContact CG2-CD1 4.23Å; I1186-L1190 WeakPolarHBondContact O-CG 3.19Å; I1186-L1190 PolarHBondContact O-N 3.29Å; T1187-L1190 PolarHBondContact O-N 3.22Å; L1190-R1192 VanDerWaalsContact C-N 3.31Å; L1190-R1192 PolarHBondContact O-N 3.48Å; L1190-Q1193 PolarHBondContact O-N 2.7Å; L1190-L1194 WeakPolarHBondContact O-CB 3.36Å; L1190-L1194 WeakPolarHBondContact O-CG 3.43Å; L1190-L1194 PolarHBondContact O-N 2.97Å
1191	Y	83.9	Confident	79.6	Confident	133 Å²	133	94.2 Å²	94.2	52%	0.522	43%	0.432	S	S	.	.	H	α-helix	trans	-57.1	-42.9	174.1	-98.7	-71	0	0	0	112.2	L1167 T1187 I1188 S1195	L1167-Y1191 HydrophobicContact CD1-CD2 3.69Å; L1167-Y1191 HydrophobicContact CD1-CE2 3.78Å; L1167-Y1191 HydrophobicContact CD1-CG 4.41Å; L1167-Y1191 HydrophobicContact CD2-CD2 4.25Å; L1167-Y1191 HydrophobicContact CD2-CE1 4.16Å; L1167-Y1191 HydrophobicContact CD2-CE2 3.88Å; L1167-Y1191 HydrophobicContact CG-CE2 4.22Å; T1187-Y1191 HydrophobicContact CG2-CD2 4.21Å; T1187-Y1191 HydrophobicContact CG2-CE2 4.36Å; T1187-Y1191 PolarHBondContact O-N 3.28Å; I1188-Y1191 PolarHBondContact O-N 3.08Å; Y1191-S1195 WeakPolarHBondContact O-CB 3.22Å; Y1191-S1195 PolarHBondContact O-N 3.4Å
1192	R	81.3	Confident	79.7	Confident	173 Å²	173	94.1 Å²	94.1	65%	0.653	42%	0.421	S	S	*	.	H	α-helix	trans	-64.7	-43.3	175.1	-74.6	-177.2	176.1	-162.8	-1.2	112.7	I1188 Q1189 L1190 S1195 H1196	I1188-R1192 WeakPolarHBondContact O-CG 3.47Å; I1188-R1192 PolarHBondContact O-N 3.33Å; Q1189-R1192 PolarHBondContact O-N 3.25Å; L1190-R1192 VanDerWaalsContact C-N 3.31Å; L1190-R1192 PolarHBondContact O-N 3.48Å; R1192-S1195 CarbonylContact O-C 3.53Å; R1192-S1195 PolarHBondContact O-N 2.67Å; R1192-H1196 PolarHBondContact O-N 2.8Å; R1192-H1196 VanDerWaalsContact O-N 3.16Å
1193	Q	78.7	Confident	79.6	Confident	114 Å²	114	93.3 Å²	93.3	53%	0.533	42%	0.416	S	S	.	.	H	α-helix	trans	-64.7	-39.5	177.9	-74	-178.5	1.9	0	0	112.5	Q1189 L1190 H1196 R1197	Q1189-Q1193 WeakPolarHBondContact O-CG 3.08Å; Q1189-Q1193 PolarHBondContact O-N 2.91Å; L1190-Q1193 PolarHBondContact O-N 2.7Å; Q1193-H1196 PolarHBondContact O-N 2.96Å; Q1193-R1197 PolarHBondContact O-N 3.42Å
1194	L	80.1	Confident	79.1	Confident	18 Å²	18	99.4 Å²	99.4	9%	0.094	44%	0.443	C	S	.	.	H	α-helix	trans	-69.5	-37.5	174.9	-69.4	171.7	0	0	0	111.7	P1163 D1164 L1167 L1190 H1196 R1197 R1198	P1163-L1194 HydrophobicContact CB-CD2 3.94Å; P1163-L1194 HydrophobicContact CB-CG 4.31Å; P1163-L1194 HydrophobicContact CG-CD2 3.76Å; D1164-L1194 WeakPolarHBondContact OD1-CD2 3.32Å; L1167-L1194 HydrophobicContact CD2-CD1 4.01Å; L1190-L1194 WeakPolarHBondContact O-CB 3.36Å; L1190-L1194 WeakPolarHBondContact O-CG 3.43Å; L1190-L1194 PolarHBondContact O-N 2.97Å; L1194-H1196 PolarHBondContact O-N 3.21Å; L1194-R1197 PolarHBondContact O-N 3.32Å; L1194-R1197 VanDerWaalsContact O-N 3.08Å; L1194-R1198 PolarHBondContact O-N 3.07Å
1195	S	75.7	Confident	78.7	Confident	83 Å²	83	101.9 Å²	101.9	58%	0.58	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	4.2	172.3	-168.6	0	0	0	0	114.5	Y1191 R1192	Y1191-S1195 WeakPolarHBondContact O-CB 3.22Å; Y1191-S1195 PolarHBondContact O-N 3.4Å; R1192-S1195 CarbonylContact O-C 3.53Å; R1192-S1195 PolarHBondContact O-N 2.67Å
1196	H	71.7	Confident	78.2	Confident	165 Å²	165	102 Å²	102	76%	0.764	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	4.1	168	-72.3	-1.8	0	0	0	112.3	R1192 Q1193 L1194	R1192-H1196 PolarHBondContact O-N 2.8Å; R1192-H1196 VanDerWaalsContact O-N 3.16Å; Q1193-H1196 PolarHBondContact O-N 2.96Å; L1194-H1196 PolarHBondContact O-N 3.21Å
1197	R	65.7	Low	77.5	Confident	159 Å²	159	108.4 Å²	108.4	60%	0.6	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	-1.4	171.1	-75.4	-171	179.6	-179	4.6	112.9	N1161 Q1193 L1194	N1161-R1197 PolarHBondContact OD1-NH2 3.01Å; Q1193-R1197 PolarHBondContact O-N 3.42Å; L1194-R1197 PolarHBondContact O-N 3.32Å; L1194-R1197 VanDerWaalsContact O-N 3.08Å
1198	R	48.5	Very low	76.6	Confident	259 Å²	259	117.5 Å²	117.5	98%	0.977	51%	0.513	S	S	*	.			trans	-114.7	0	169.5	-64.7	-174.7	-176	-173.7	3.4	108.7	L1194	L1194-R1198 PolarHBondContact O-N 3.07Å

Retrieved 1,198 of 1,198 residues in 257 ms (Link to these results)

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